----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:52:19]------------------------- 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 2.106011160000000 -7.918246100000000 0.000000000000000 b 2.106011160000000 7.918246100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.922840420000000 Atomic positions (fractional): *1 Se 0.06353366967226 0.93646633032774 0.25000000000000 78.960 2 Se 0.93646633032774 0.06353366967226 0.75000000000000 78.960 *3 Se 0.62136934855194 0.37863065144806 0.54047442644632 78.960 4 Se 0.62136934855194 0.37863065144806 0.95952557355368 78.960 5 Se 0.37863065144806 0.62136934855194 0.04047442644632 78.960 6 Se 0.37863065144806 0.62136934855194 0.45952557355368 78.960 *7 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 *9 Cs 0.74645063050408 0.25354936949592 0.25000000000000 132.905 10 Cs 0.25354936949592 0.74645063050408 0.75000000000000 132.905 *11 Hg 0.45585478699614 0.54414521300386 0.25000000000000 200.590 12 Hg 0.54414521300386 0.45585478699614 0.75000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.212022320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.836492200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.922840420000000 Atomic positions (fractional): *1 Se 0.50000000000000 0.43646633032774 0.25000000000000 78.960 > 1 2 Se 0.00000000000000 0.06353366967226 0.75000000000000 78.960 > 2 *3 Se 0.00000000000000 0.37863065144806 0.54047442644632 78.960 > 3 4 Se 0.00000000000000 0.37863065144806 0.95952557355368 78.960 > 4 5 Se 0.50000000000000 0.12136934855194 0.04047442644632 78.960 > 5 6 Se 0.50000000000000 0.12136934855194 0.45952557355368 78.960 > 6 7 Se 0.00000000000000 0.93646633032774 0.25000000000000 78.960 > 1 8 Se 0.50000000000000 0.56353366967226 0.75000000000000 78.960 > 2 9 Se 0.50000000000000 0.87863065144806 0.54047442644632 78.960 > 3 10 Se 0.50000000000000 0.87863065144806 0.95952557355368 78.960 > 4 11 Se 0.00000000000000 0.62136934855194 0.04047442644632 78.960 > 5 12 Se 0.00000000000000 0.62136934855194 0.45952557355368 78.960 > 6 *13 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 7 14 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 8 15 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 7 16 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 8 *17 Cs 0.00000000000000 0.25354936949592 0.25000000000000 132.905 > 9 18 Cs 0.50000000000000 0.24645063050408 0.75000000000000 132.905 > 10 19 Cs 0.50000000000000 0.75354936949592 0.25000000000000 132.905 > 9 20 Cs 0.00000000000000 0.74645063050408 0.75000000000000 132.905 > 10 *21 Hg 0.50000000000000 0.04414521300386 0.25000000000000 200.590 > 11 22 Hg 0.00000000000000 0.45585478699614 0.75000000000000 200.590 > 12 23 Hg 0.00000000000000 0.54414521300386 0.25000000000000 200.590 > 11 24 Hg 0.50000000000000 0.95585478699614 0.75000000000000 200.590 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.636066960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.836492200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.845680840000000 Atomic positions (fractional): *1 Se 0.16666666666667 0.43646633032774 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43646633032774 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43646633032774 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43646633032774 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43646633032774 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43646633032774 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06353366967226 0.37500000000000 78.960 > 2 8 Se 0.33333333333333 0.06353366967226 0.37500000000000 78.960 > 2 9 Se 0.66666666666667 0.06353366967226 0.37500000000000 78.960 > 2 10 Se 0.00000000000000 0.06353366967226 0.87500000000000 78.960 > 2 11 Se 0.33333333333333 0.06353366967226 0.87500000000000 78.960 > 2 12 Se 0.66666666666667 0.06353366967226 0.87500000000000 78.960 > 2 *13 Se 0.00000000000000 0.37863065144806 0.27023721322316 78.960 > 3 14 Se 0.33333333333333 0.37863065144806 0.27023721322316 78.960 > 3 15 Se 0.66666666666667 0.37863065144806 0.27023721322316 78.960 > 3 16 Se 0.00000000000000 0.37863065144806 0.77023721322316 78.960 > 3 17 Se 0.33333333333333 0.37863065144806 0.77023721322316 78.960 > 3 18 Se 0.66666666666667 0.37863065144806 0.77023721322316 78.960 > 3 19 Se 0.00000000000000 0.37863065144806 0.47976278677684 78.960 > 4 20 Se 0.33333333333333 0.37863065144806 0.47976278677684 78.960 > 4 21 Se 0.66666666666667 0.37863065144806 0.47976278677684 78.960 > 4 22 Se 0.00000000000000 0.37863065144806 0.97976278677684 78.960 > 4 23 Se 0.33333333333333 0.37863065144806 0.97976278677684 78.960 > 4 24 Se 0.66666666666667 0.37863065144806 0.97976278677684 78.960 > 4 25 Se 0.16666666666667 0.12136934855194 0.02023721322316 78.960 > 5 26 Se 0.50000000000000 0.12136934855194 0.02023721322316 78.960 > 5 27 Se 0.83333333333333 0.12136934855194 0.02023721322316 78.960 > 5 28 Se 0.16666666666667 0.12136934855194 0.52023721322316 78.960 > 5 29 Se 0.50000000000000 0.12136934855194 0.52023721322316 78.960 > 5 30 Se 0.83333333333333 0.12136934855194 0.52023721322316 78.960 > 5 31 Se 0.16666666666667 0.12136934855194 0.22976278677684 78.960 > 6 32 Se 0.50000000000000 0.12136934855194 0.22976278677684 78.960 > 6 33 Se 0.83333333333333 0.12136934855194 0.22976278677684 78.960 > 6 34 Se 0.16666666666667 0.12136934855194 0.72976278677684 78.960 > 6 35 Se 0.50000000000000 0.12136934855194 0.72976278677684 78.960 > 6 36 Se 0.83333333333333 0.12136934855194 0.72976278677684 78.960 > 6 37 Se 0.00000000000000 0.93646633032774 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93646633032774 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93646633032774 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93646633032774 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93646633032774 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93646633032774 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56353366967226 0.37500000000000 78.960 > 2 44 Se 0.50000000000000 0.56353366967226 0.37500000000000 78.960 > 2 45 Se 0.83333333333333 0.56353366967226 0.37500000000000 78.960 > 2 46 Se 0.16666666666667 0.56353366967226 0.87500000000000 78.960 > 2 47 Se 0.50000000000000 0.56353366967226 0.87500000000000 78.960 > 2 48 Se 0.83333333333333 0.56353366967226 0.87500000000000 78.960 > 2 49 Se 0.16666666666667 0.87863065144806 0.27023721322316 78.960 > 3 50 Se 0.50000000000000 0.87863065144806 0.27023721322316 78.960 > 3 51 Se 0.83333333333333 0.87863065144806 0.27023721322316 78.960 > 3 52 Se 0.16666666666667 0.87863065144806 0.77023721322316 78.960 > 3 53 Se 0.50000000000000 0.87863065144806 0.77023721322316 78.960 > 3 54 Se 0.83333333333333 0.87863065144806 0.77023721322316 78.960 > 3 55 Se 0.16666666666667 0.87863065144806 0.47976278677684 78.960 > 4 56 Se 0.50000000000000 0.87863065144806 0.47976278677684 78.960 > 4 57 Se 0.83333333333333 0.87863065144806 0.47976278677684 78.960 > 4 58 Se 0.16666666666667 0.87863065144806 0.97976278677684 78.960 > 4 59 Se 0.50000000000000 0.87863065144806 0.97976278677684 78.960 > 4 60 Se 0.83333333333333 0.87863065144806 0.97976278677684 78.960 > 4 61 Se 0.00000000000000 0.62136934855194 0.02023721322316 78.960 > 5 62 Se 0.33333333333333 0.62136934855194 0.02023721322316 78.960 > 5 63 Se 0.66666666666667 0.62136934855194 0.02023721322316 78.960 > 5 64 Se 0.00000000000000 0.62136934855194 0.52023721322316 78.960 > 5 65 Se 0.33333333333333 0.62136934855194 0.52023721322316 78.960 > 5 66 Se 0.66666666666667 0.62136934855194 0.52023721322316 78.960 > 5 67 Se 0.00000000000000 0.62136934855194 0.22976278677684 78.960 > 6 68 Se 0.33333333333333 0.62136934855194 0.22976278677684 78.960 > 6 69 Se 0.66666666666667 0.62136934855194 0.22976278677684 78.960 > 6 70 Se 0.00000000000000 0.62136934855194 0.72976278677684 78.960 > 6 71 Se 0.33333333333333 0.62136934855194 0.72976278677684 78.960 > 6 72 Se 0.66666666666667 0.62136934855194 0.72976278677684 78.960 > 6 *73 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 7 74 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 7 75 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 7 76 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 7 77 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 7 78 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 7 79 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 8 80 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 8 81 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 8 82 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 8 83 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 8 84 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 8 85 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 7 86 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 7 87 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 7 88 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 7 89 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 7 90 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 7 91 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 8 92 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 8 93 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 8 94 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 8 95 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 8 96 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 8 *97 Cs 0.00000000000000 0.25354936949592 0.12500000000000 132.905 > 9 98 Cs 0.33333333333333 0.25354936949592 0.12500000000000 132.905 > 9 99 Cs 0.66666666666667 0.25354936949592 0.12500000000000 132.905 > 9 100 Cs 0.00000000000000 0.25354936949592 0.62500000000000 132.905 > 9 101 Cs 0.33333333333333 0.25354936949592 0.62500000000000 132.905 > 9 102 Cs 0.66666666666667 0.25354936949592 0.62500000000000 132.905 > 9 103 Cs 0.16666666666667 0.24645063050408 0.37500000000000 132.905 > 10 104 Cs 0.50000000000000 0.24645063050408 0.37500000000000 132.905 > 10 105 Cs 0.83333333333333 0.24645063050408 0.37500000000000 132.905 > 10 106 Cs 0.16666666666667 0.24645063050408 0.87500000000000 132.905 > 10 107 Cs 0.50000000000000 0.24645063050408 0.87500000000000 132.905 > 10 108 Cs 0.83333333333333 0.24645063050408 0.87500000000000 132.905 > 10 109 Cs 0.16666666666667 0.75354936949592 0.12500000000000 132.905 > 9 110 Cs 0.50000000000000 0.75354936949592 0.12500000000000 132.905 > 9 111 Cs 0.83333333333333 0.75354936949592 0.12500000000000 132.905 > 9 112 Cs 0.16666666666667 0.75354936949592 0.62500000000000 132.905 > 9 113 Cs 0.50000000000000 0.75354936949592 0.62500000000000 132.905 > 9 114 Cs 0.83333333333333 0.75354936949592 0.62500000000000 132.905 > 9 115 Cs 0.00000000000000 0.74645063050408 0.37500000000000 132.905 > 10 116 Cs 0.33333333333333 0.74645063050408 0.37500000000000 132.905 > 10 117 Cs 0.66666666666667 0.74645063050408 0.37500000000000 132.905 > 10 118 Cs 0.00000000000000 0.74645063050408 0.87500000000000 132.905 > 10 119 Cs 0.33333333333333 0.74645063050408 0.87500000000000 132.905 > 10 120 Cs 0.66666666666667 0.74645063050408 0.87500000000000 132.905 > 10 *121 Hg 0.16666666666667 0.04414521300386 0.12500000000000 200.590 > 11 122 Hg 0.50000000000000 0.04414521300386 0.12500000000000 200.590 > 11 123 Hg 0.83333333333333 0.04414521300386 0.12500000000000 200.590 > 11 124 Hg 0.16666666666667 0.04414521300386 0.62500000000000 200.590 > 11 125 Hg 0.50000000000000 0.04414521300386 0.62500000000000 200.590 > 11 126 Hg 0.83333333333333 0.04414521300386 0.62500000000000 200.590 > 11 127 Hg 0.00000000000000 0.45585478699614 0.37500000000000 200.590 > 12 128 Hg 0.33333333333333 0.45585478699614 0.37500000000000 200.590 > 12 129 Hg 0.66666666666667 0.45585478699614 0.37500000000000 200.590 > 12 130 Hg 0.00000000000000 0.45585478699614 0.87500000000000 200.590 > 12 131 Hg 0.33333333333333 0.45585478699614 0.87500000000000 200.590 > 12 132 Hg 0.66666666666667 0.45585478699614 0.87500000000000 200.590 > 12 133 Hg 0.00000000000000 0.54414521300386 0.12500000000000 200.590 > 11 134 Hg 0.33333333333333 0.54414521300386 0.12500000000000 200.590 > 11 135 Hg 0.66666666666667 0.54414521300386 0.12500000000000 200.590 > 11 136 Hg 0.00000000000000 0.54414521300386 0.62500000000000 200.590 > 11 137 Hg 0.33333333333333 0.54414521300386 0.62500000000000 200.590 > 11 138 Hg 0.66666666666667 0.54414521300386 0.62500000000000 200.590 > 11 139 Hg 0.16666666666667 0.95585478699614 0.37500000000000 200.590 > 12 140 Hg 0.50000000000000 0.95585478699614 0.37500000000000 200.590 > 12 141 Hg 0.83333333333333 0.95585478699614 0.37500000000000 200.590 > 12 142 Hg 0.16666666666667 0.95585478699614 0.87500000000000 200.590 > 12 143 Hg 0.50000000000000 0.95585478699614 0.87500000000000 200.590 > 12 144 Hg 0.83333333333333 0.95585478699614 0.87500000000000 200.590 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7953580 0.0000000 0.0000000 0.0000000 4.9157383 0.0000000 0.0000000 0.0000000 7.9205050 -------------------------- Born effective charges -------------------------- 1 Se -2.7232129 0.0000000 0.0000000 0.0000000 -1.2827986 0.0000000 0.0000000 0.0000000 -3.3961176 2 Se -2.7232129 0.0000000 0.0000000 0.0000000 -1.2827986 0.0000000 0.0000000 0.0000000 -3.3961176 3 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 -0.0221386 0.0000000 0.0723814 -2.3321705 4 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 0.0221386 0.0000000 -0.0723814 -2.3321705 5 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 0.0221386 0.0000000 -0.0723814 -2.3321705 6 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 -0.0221386 0.0000000 0.0723814 -2.3321705 7 Y 4.7048311 0.0000000 0.0000000 0.0000000 1.5777682 0.3600547 0.0000000 0.6597183 4.6754320 8 Y 4.7048311 0.0000000 0.0000000 0.0000000 1.5777682 -0.3600547 0.0000000 -0.6597183 4.6754320 9 Cs 1.1743383 0.0000000 0.0000000 0.0000000 1.9989267 0.0000000 0.0000000 0.0000000 1.3596484 10 Cs 1.1743383 0.0000000 0.0000000 0.0000000 1.9989267 0.0000000 0.0000000 0.0000000 1.3596484 11 Hg 2.2011999 0.0000000 0.0000000 0.0000000 0.9317764 0.0000000 0.0000000 0.0000000 2.0253781 12 Hg 2.2011999 0.0000000 0.0000000 0.0000000 0.9317764 0.0000000 0.0000000 0.0000000 2.0253781 ---------------------------------------------------------------------------- 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): 0.004 Solver_block: 100 / 240 - Time: 1.614 Solver_block: 200 / 240 - Time: 1.587 Solver_block: 240 / 240 - Time: 0.714 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.942 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:52:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.106011160000000 -7.918246100000000 0.000000000000000 b 2.106011160000000 7.918246100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.922840420000000 Atomic positions (fractional): 1 Se 0.06353366967226 0.93646633032774 0.25000000000000 78.960 2 Se 0.93646633032774 0.06353366967226 0.75000000000000 78.960 3 Se 0.62136934855194 0.37863065144806 0.54047442644632 78.960 4 Se 0.62136934855194 0.37863065144806 0.95952557355368 78.960 5 Se 0.37863065144806 0.62136934855194 0.04047442644632 78.960 6 Se 0.37863065144806 0.62136934855194 0.45952557355368 78.960 7 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 9 Cs 0.74645063050408 0.25354936949592 0.25000000000000 132.905 10 Cs 0.25354936949592 0.74645063050408 0.75000000000000 132.905 11 Hg 0.45585478699614 0.54414521300386 0.25000000000000 200.590 12 Hg 0.54414521300386 0.45585478699614 0.75000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.636066960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.836492200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.845680840000000 Atomic positions (fractional): 1 Se 0.16666666666667 0.43646633032774 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43646633032774 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43646633032774 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43646633032774 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43646633032774 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43646633032774 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06353366967226 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06353366967226 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06353366967226 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06353366967226 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06353366967226 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06353366967226 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37863065144806 0.27023721322316 78.960 > 13 14 Se 0.33333333333333 0.37863065144806 0.27023721322316 78.960 > 13 15 Se 0.66666666666667 0.37863065144806 0.27023721322316 78.960 > 13 16 Se 0.00000000000000 0.37863065144806 0.77023721322316 78.960 > 13 17 Se 0.33333333333333 0.37863065144806 0.77023721322316 78.960 > 13 18 Se 0.66666666666667 0.37863065144806 0.77023721322316 78.960 > 13 19 Se 0.00000000000000 0.37863065144806 0.47976278677684 78.960 > 19 20 Se 0.33333333333333 0.37863065144806 0.47976278677684 78.960 > 19 21 Se 0.66666666666667 0.37863065144806 0.47976278677684 78.960 > 19 22 Se 0.00000000000000 0.37863065144806 0.97976278677684 78.960 > 19 23 Se 0.33333333333333 0.37863065144806 0.97976278677684 78.960 > 19 24 Se 0.66666666666667 0.37863065144806 0.97976278677684 78.960 > 19 25 Se 0.16666666666667 0.12136934855194 0.02023721322316 78.960 > 25 26 Se 0.50000000000000 0.12136934855194 0.02023721322316 78.960 > 25 27 Se 0.83333333333333 0.12136934855194 0.02023721322316 78.960 > 25 28 Se 0.16666666666667 0.12136934855194 0.52023721322316 78.960 > 25 29 Se 0.50000000000000 0.12136934855194 0.52023721322316 78.960 > 25 30 Se 0.83333333333333 0.12136934855194 0.52023721322316 78.960 > 25 31 Se 0.16666666666667 0.12136934855194 0.22976278677684 78.960 > 31 32 Se 0.50000000000000 0.12136934855194 0.22976278677684 78.960 > 31 33 Se 0.83333333333333 0.12136934855194 0.22976278677684 78.960 > 31 34 Se 0.16666666666667 0.12136934855194 0.72976278677684 78.960 > 31 35 Se 0.50000000000000 0.12136934855194 0.72976278677684 78.960 > 31 36 Se 0.83333333333333 0.12136934855194 0.72976278677684 78.960 > 31 37 Se 0.00000000000000 0.93646633032774 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93646633032774 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93646633032774 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93646633032774 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93646633032774 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93646633032774 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56353366967226 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56353366967226 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56353366967226 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56353366967226 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56353366967226 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56353366967226 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87863065144806 0.27023721322316 78.960 > 13 50 Se 0.50000000000000 0.87863065144806 0.27023721322316 78.960 > 13 51 Se 0.83333333333333 0.87863065144806 0.27023721322316 78.960 > 13 52 Se 0.16666666666667 0.87863065144806 0.77023721322316 78.960 > 13 53 Se 0.50000000000000 0.87863065144806 0.77023721322316 78.960 > 13 54 Se 0.83333333333333 0.87863065144806 0.77023721322316 78.960 > 13 55 Se 0.16666666666667 0.87863065144806 0.47976278677684 78.960 > 19 56 Se 0.50000000000000 0.87863065144806 0.47976278677684 78.960 > 19 57 Se 0.83333333333333 0.87863065144806 0.47976278677684 78.960 > 19 58 Se 0.16666666666667 0.87863065144806 0.97976278677684 78.960 > 19 59 Se 0.50000000000000 0.87863065144806 0.97976278677684 78.960 > 19 60 Se 0.83333333333333 0.87863065144806 0.97976278677684 78.960 > 19 61 Se 0.00000000000000 0.62136934855194 0.02023721322316 78.960 > 25 62 Se 0.33333333333333 0.62136934855194 0.02023721322316 78.960 > 25 63 Se 0.66666666666667 0.62136934855194 0.02023721322316 78.960 > 25 64 Se 0.00000000000000 0.62136934855194 0.52023721322316 78.960 > 25 65 Se 0.33333333333333 0.62136934855194 0.52023721322316 78.960 > 25 66 Se 0.66666666666667 0.62136934855194 0.52023721322316 78.960 > 25 67 Se 0.00000000000000 0.62136934855194 0.22976278677684 78.960 > 31 68 Se 0.33333333333333 0.62136934855194 0.22976278677684 78.960 > 31 69 Se 0.66666666666667 0.62136934855194 0.22976278677684 78.960 > 31 70 Se 0.00000000000000 0.62136934855194 0.72976278677684 78.960 > 31 71 Se 0.33333333333333 0.62136934855194 0.72976278677684 78.960 > 31 72 Se 0.66666666666667 0.62136934855194 0.72976278677684 78.960 > 31 73 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 73 74 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 73 75 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 73 76 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 73 77 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 73 78 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 73 79 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 79 80 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 79 81 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 79 82 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 79 83 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 79 84 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 79 85 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 73 86 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 73 87 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 73 88 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 73 89 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 73 90 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 73 91 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 79 92 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 79 93 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 79 94 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 79 95 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 79 96 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 79 97 Cs 0.00000000000000 0.25354936949592 0.12500000000000 132.905 > 97 98 Cs 0.33333333333333 0.25354936949592 0.12500000000000 132.905 > 97 99 Cs 0.66666666666667 0.25354936949592 0.12500000000000 132.905 > 97 100 Cs 0.00000000000000 0.25354936949592 0.62500000000000 132.905 > 97 101 Cs 0.33333333333333 0.25354936949592 0.62500000000000 132.905 > 97 102 Cs 0.66666666666667 0.25354936949592 0.62500000000000 132.905 > 97 103 Cs 0.16666666666667 0.24645063050408 0.37500000000000 132.905 > 103 104 Cs 0.50000000000000 0.24645063050408 0.37500000000000 132.905 > 103 105 Cs 0.83333333333333 0.24645063050408 0.37500000000000 132.905 > 103 106 Cs 0.16666666666667 0.24645063050408 0.87500000000000 132.905 > 103 107 Cs 0.50000000000000 0.24645063050408 0.87500000000000 132.905 > 103 108 Cs 0.83333333333333 0.24645063050408 0.87500000000000 132.905 > 103 109 Cs 0.16666666666667 0.75354936949592 0.12500000000000 132.905 > 97 110 Cs 0.50000000000000 0.75354936949592 0.12500000000000 132.905 > 97 111 Cs 0.83333333333333 0.75354936949592 0.12500000000000 132.905 > 97 112 Cs 0.16666666666667 0.75354936949592 0.62500000000000 132.905 > 97 113 Cs 0.50000000000000 0.75354936949592 0.62500000000000 132.905 > 97 114 Cs 0.83333333333333 0.75354936949592 0.62500000000000 132.905 > 97 115 Cs 0.00000000000000 0.74645063050408 0.37500000000000 132.905 > 103 116 Cs 0.33333333333333 0.74645063050408 0.37500000000000 132.905 > 103 117 Cs 0.66666666666667 0.74645063050408 0.37500000000000 132.905 > 103 118 Cs 0.00000000000000 0.74645063050408 0.87500000000000 132.905 > 103 119 Cs 0.33333333333333 0.74645063050408 0.87500000000000 132.905 > 103 120 Cs 0.66666666666667 0.74645063050408 0.87500000000000 132.905 > 103 121 Hg 0.16666666666667 0.04414521300386 0.12500000000000 200.590 > 121 122 Hg 0.50000000000000 0.04414521300386 0.12500000000000 200.590 > 121 123 Hg 0.83333333333333 0.04414521300386 0.12500000000000 200.590 > 121 124 Hg 0.16666666666667 0.04414521300386 0.62500000000000 200.590 > 121 125 Hg 0.50000000000000 0.04414521300386 0.62500000000000 200.590 > 121 126 Hg 0.83333333333333 0.04414521300386 0.62500000000000 200.590 > 121 127 Hg 0.00000000000000 0.45585478699614 0.37500000000000 200.590 > 127 128 Hg 0.33333333333333 0.45585478699614 0.37500000000000 200.590 > 127 129 Hg 0.66666666666667 0.45585478699614 0.37500000000000 200.590 > 127 130 Hg 0.00000000000000 0.45585478699614 0.87500000000000 200.590 > 127 131 Hg 0.33333333333333 0.45585478699614 0.87500000000000 200.590 > 127 132 Hg 0.66666666666667 0.45585478699614 0.87500000000000 200.590 > 127 133 Hg 0.00000000000000 0.54414521300386 0.12500000000000 200.590 > 121 134 Hg 0.33333333333333 0.54414521300386 0.12500000000000 200.590 > 121 135 Hg 0.66666666666667 0.54414521300386 0.12500000000000 200.590 > 121 136 Hg 0.00000000000000 0.54414521300386 0.62500000000000 200.590 > 121 137 Hg 0.33333333333333 0.54414521300386 0.62500000000000 200.590 > 121 138 Hg 0.66666666666667 0.54414521300386 0.62500000000000 200.590 > 121 139 Hg 0.16666666666667 0.95585478699614 0.37500000000000 200.590 > 127 140 Hg 0.50000000000000 0.95585478699614 0.37500000000000 200.590 > 127 141 Hg 0.83333333333333 0.95585478699614 0.37500000000000 200.590 > 127 142 Hg 0.16666666666667 0.95585478699614 0.87500000000000 200.590 > 127 143 Hg 0.50000000000000 0.95585478699614 0.87500000000000 200.590 > 127 144 Hg 0.83333333333333 0.95585478699614 0.87500000000000 200.590 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7953580 0.0000000 0.0000000 0.0000000 4.9157383 0.0000000 0.0000000 0.0000000 7.9205050 -------------------------- Born effective charges -------------------------- 1 Se -2.7232129 0.0000000 0.0000000 0.0000000 -1.2827986 0.0000000 0.0000000 0.0000000 -3.3961176 2 Se -2.7232129 0.0000000 0.0000000 0.0000000 -1.2827986 0.0000000 0.0000000 0.0000000 -3.3961176 3 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 -0.0221386 0.0000000 0.0723814 -2.3321705 4 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 0.0221386 0.0000000 -0.0723814 -2.3321705 5 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 0.0221386 0.0000000 -0.0723814 -2.3321705 6 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 -0.0221386 0.0000000 0.0723814 -2.3321705 7 Y 4.7048311 0.0000000 0.0000000 0.0000000 1.5777682 0.3600547 0.0000000 0.6597183 4.6754320 8 Y 4.7048311 0.0000000 0.0000000 0.0000000 1.5777682 -0.3600547 0.0000000 -0.6597183 4.6754320 9 Cs 1.1743383 0.0000000 0.0000000 0.0000000 1.9989267 0.0000000 0.0000000 0.0000000 1.3596484 10 Cs 1.1743383 0.0000000 0.0000000 0.0000000 1.9989267 0.0000000 0.0000000 0.0000000 1.3596484 11 Hg 2.2011999 0.0000000 0.0000000 0.0000000 0.9317764 0.0000000 0.0000000 0.0000000 2.0253781 12 Hg 2.2011999 0.0000000 0.0000000 0.0000000 0.9317764 0.0000000 0.0000000 0.0000000 2.0253781 ---------------------------------------------------------------------------- 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[ 13, 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: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:52:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:52:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.106011160000000 -7.918246100000000 0.000000000000000 b 2.106011160000000 7.918246100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.922840420000000 Atomic positions (fractional): 1 Se 0.06353366967226 0.93646633032774 0.25000000000000 78.960 2 Se 0.93646633032774 0.06353366967226 0.75000000000000 78.960 3 Se 0.62136934855194 0.37863065144806 0.54047442644632 78.960 4 Se 0.62136934855194 0.37863065144806 0.95952557355368 78.960 5 Se 0.37863065144806 0.62136934855194 0.04047442644632 78.960 6 Se 0.37863065144806 0.62136934855194 0.45952557355368 78.960 7 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 9 Cs 0.74645063050408 0.25354936949592 0.25000000000000 132.905 10 Cs 0.25354936949592 0.74645063050408 0.75000000000000 132.905 11 Hg 0.45585478699614 0.54414521300386 0.25000000000000 200.590 12 Hg 0.54414521300386 0.45585478699614 0.75000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.636066960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.836492200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.845680840000000 Atomic positions (fractional): 1 Se 0.16666666666667 0.43646633032774 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43646633032774 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43646633032774 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43646633032774 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43646633032774 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43646633032774 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06353366967226 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06353366967226 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06353366967226 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06353366967226 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06353366967226 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06353366967226 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37863065144806 0.27023721322316 78.960 > 13 14 Se 0.33333333333333 0.37863065144806 0.27023721322316 78.960 > 13 15 Se 0.66666666666667 0.37863065144806 0.27023721322316 78.960 > 13 16 Se 0.00000000000000 0.37863065144806 0.77023721322316 78.960 > 13 17 Se 0.33333333333333 0.37863065144806 0.77023721322316 78.960 > 13 18 Se 0.66666666666667 0.37863065144806 0.77023721322316 78.960 > 13 19 Se 0.00000000000000 0.37863065144806 0.47976278677684 78.960 > 19 20 Se 0.33333333333333 0.37863065144806 0.47976278677684 78.960 > 19 21 Se 0.66666666666667 0.37863065144806 0.47976278677684 78.960 > 19 22 Se 0.00000000000000 0.37863065144806 0.97976278677684 78.960 > 19 23 Se 0.33333333333333 0.37863065144806 0.97976278677684 78.960 > 19 24 Se 0.66666666666667 0.37863065144806 0.97976278677684 78.960 > 19 25 Se 0.16666666666667 0.12136934855194 0.02023721322316 78.960 > 25 26 Se 0.50000000000000 0.12136934855194 0.02023721322316 78.960 > 25 27 Se 0.83333333333333 0.12136934855194 0.02023721322316 78.960 > 25 28 Se 0.16666666666667 0.12136934855194 0.52023721322316 78.960 > 25 29 Se 0.50000000000000 0.12136934855194 0.52023721322316 78.960 > 25 30 Se 0.83333333333333 0.12136934855194 0.52023721322316 78.960 > 25 31 Se 0.16666666666667 0.12136934855194 0.22976278677684 78.960 > 31 32 Se 0.50000000000000 0.12136934855194 0.22976278677684 78.960 > 31 33 Se 0.83333333333333 0.12136934855194 0.22976278677684 78.960 > 31 34 Se 0.16666666666667 0.12136934855194 0.72976278677684 78.960 > 31 35 Se 0.50000000000000 0.12136934855194 0.72976278677684 78.960 > 31 36 Se 0.83333333333333 0.12136934855194 0.72976278677684 78.960 > 31 37 Se 0.00000000000000 0.93646633032774 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93646633032774 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93646633032774 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93646633032774 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93646633032774 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93646633032774 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56353366967226 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56353366967226 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56353366967226 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56353366967226 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56353366967226 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56353366967226 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87863065144806 0.27023721322316 78.960 > 13 50 Se 0.50000000000000 0.87863065144806 0.27023721322316 78.960 > 13 51 Se 0.83333333333333 0.87863065144806 0.27023721322316 78.960 > 13 52 Se 0.16666666666667 0.87863065144806 0.77023721322316 78.960 > 13 53 Se 0.50000000000000 0.87863065144806 0.77023721322316 78.960 > 13 54 Se 0.83333333333333 0.87863065144806 0.77023721322316 78.960 > 13 55 Se 0.16666666666667 0.87863065144806 0.47976278677684 78.960 > 19 56 Se 0.50000000000000 0.87863065144806 0.47976278677684 78.960 > 19 57 Se 0.83333333333333 0.87863065144806 0.47976278677684 78.960 > 19 58 Se 0.16666666666667 0.87863065144806 0.97976278677684 78.960 > 19 59 Se 0.50000000000000 0.87863065144806 0.97976278677684 78.960 > 19 60 Se 0.83333333333333 0.87863065144806 0.97976278677684 78.960 > 19 61 Se 0.00000000000000 0.62136934855194 0.02023721322316 78.960 > 25 62 Se 0.33333333333333 0.62136934855194 0.02023721322316 78.960 > 25 63 Se 0.66666666666667 0.62136934855194 0.02023721322316 78.960 > 25 64 Se 0.00000000000000 0.62136934855194 0.52023721322316 78.960 > 25 65 Se 0.33333333333333 0.62136934855194 0.52023721322316 78.960 > 25 66 Se 0.66666666666667 0.62136934855194 0.52023721322316 78.960 > 25 67 Se 0.00000000000000 0.62136934855194 0.22976278677684 78.960 > 31 68 Se 0.33333333333333 0.62136934855194 0.22976278677684 78.960 > 31 69 Se 0.66666666666667 0.62136934855194 0.22976278677684 78.960 > 31 70 Se 0.00000000000000 0.62136934855194 0.72976278677684 78.960 > 31 71 Se 0.33333333333333 0.62136934855194 0.72976278677684 78.960 > 31 72 Se 0.66666666666667 0.62136934855194 0.72976278677684 78.960 > 31 73 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 73 74 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 73 75 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 73 76 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 73 77 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 73 78 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 73 79 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 79 80 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 79 81 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 79 82 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 79 83 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 79 84 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 79 85 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 73 86 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 73 87 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 73 88 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 73 89 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 73 90 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 73 91 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 79 92 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 79 93 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 79 94 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 79 95 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 79 96 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 79 97 Cs 0.00000000000000 0.25354936949592 0.12500000000000 132.905 > 97 98 Cs 0.33333333333333 0.25354936949592 0.12500000000000 132.905 > 97 99 Cs 0.66666666666667 0.25354936949592 0.12500000000000 132.905 > 97 100 Cs 0.00000000000000 0.25354936949592 0.62500000000000 132.905 > 97 101 Cs 0.33333333333333 0.25354936949592 0.62500000000000 132.905 > 97 102 Cs 0.66666666666667 0.25354936949592 0.62500000000000 132.905 > 97 103 Cs 0.16666666666667 0.24645063050408 0.37500000000000 132.905 > 103 104 Cs 0.50000000000000 0.24645063050408 0.37500000000000 132.905 > 103 105 Cs 0.83333333333333 0.24645063050408 0.37500000000000 132.905 > 103 106 Cs 0.16666666666667 0.24645063050408 0.87500000000000 132.905 > 103 107 Cs 0.50000000000000 0.24645063050408 0.87500000000000 132.905 > 103 108 Cs 0.83333333333333 0.24645063050408 0.87500000000000 132.905 > 103 109 Cs 0.16666666666667 0.75354936949592 0.12500000000000 132.905 > 97 110 Cs 0.50000000000000 0.75354936949592 0.12500000000000 132.905 > 97 111 Cs 0.83333333333333 0.75354936949592 0.12500000000000 132.905 > 97 112 Cs 0.16666666666667 0.75354936949592 0.62500000000000 132.905 > 97 113 Cs 0.50000000000000 0.75354936949592 0.62500000000000 132.905 > 97 114 Cs 0.83333333333333 0.75354936949592 0.62500000000000 132.905 > 97 115 Cs 0.00000000000000 0.74645063050408 0.37500000000000 132.905 > 103 116 Cs 0.33333333333333 0.74645063050408 0.37500000000000 132.905 > 103 117 Cs 0.66666666666667 0.74645063050408 0.37500000000000 132.905 > 103 118 Cs 0.00000000000000 0.74645063050408 0.87500000000000 132.905 > 103 119 Cs 0.33333333333333 0.74645063050408 0.87500000000000 132.905 > 103 120 Cs 0.66666666666667 0.74645063050408 0.87500000000000 132.905 > 103 121 Hg 0.16666666666667 0.04414521300386 0.12500000000000 200.590 > 121 122 Hg 0.50000000000000 0.04414521300386 0.12500000000000 200.590 > 121 123 Hg 0.83333333333333 0.04414521300386 0.12500000000000 200.590 > 121 124 Hg 0.16666666666667 0.04414521300386 0.62500000000000 200.590 > 121 125 Hg 0.50000000000000 0.04414521300386 0.62500000000000 200.590 > 121 126 Hg 0.83333333333333 0.04414521300386 0.62500000000000 200.590 > 121 127 Hg 0.00000000000000 0.45585478699614 0.37500000000000 200.590 > 127 128 Hg 0.33333333333333 0.45585478699614 0.37500000000000 200.590 > 127 129 Hg 0.66666666666667 0.45585478699614 0.37500000000000 200.590 > 127 130 Hg 0.00000000000000 0.45585478699614 0.87500000000000 200.590 > 127 131 Hg 0.33333333333333 0.45585478699614 0.87500000000000 200.590 > 127 132 Hg 0.66666666666667 0.45585478699614 0.87500000000000 200.590 > 127 133 Hg 0.00000000000000 0.54414521300386 0.12500000000000 200.590 > 121 134 Hg 0.33333333333333 0.54414521300386 0.12500000000000 200.590 > 121 135 Hg 0.66666666666667 0.54414521300386 0.12500000000000 200.590 > 121 136 Hg 0.00000000000000 0.54414521300386 0.62500000000000 200.590 > 121 137 Hg 0.33333333333333 0.54414521300386 0.62500000000000 200.590 > 121 138 Hg 0.66666666666667 0.54414521300386 0.62500000000000 200.590 > 121 139 Hg 0.16666666666667 0.95585478699614 0.37500000000000 200.590 > 127 140 Hg 0.50000000000000 0.95585478699614 0.37500000000000 200.590 > 127 141 Hg 0.83333333333333 0.95585478699614 0.37500000000000 200.590 > 127 142 Hg 0.16666666666667 0.95585478699614 0.87500000000000 200.590 > 127 143 Hg 0.50000000000000 0.95585478699614 0.87500000000000 200.590 > 127 144 Hg 0.83333333333333 0.95585478699614 0.87500000000000 200.590 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7953580 0.0000000 0.0000000 0.0000000 4.9157383 0.0000000 0.0000000 0.0000000 7.9205050 -------------------------- Born effective charges -------------------------- 1 Se -2.7232129 0.0000000 0.0000000 0.0000000 -1.2827986 0.0000000 0.0000000 0.0000000 -3.3961176 2 Se -2.7232129 0.0000000 0.0000000 0.0000000 -1.2827986 0.0000000 0.0000000 0.0000000 -3.3961176 3 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 -0.0221386 0.0000000 0.0723814 -2.3321705 4 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 0.0221386 0.0000000 -0.0723814 -2.3321705 5 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 0.0221386 0.0000000 -0.0723814 -2.3321705 6 Se -2.6785782 0.0000000 0.0000000 0.0000000 -1.6128363 -0.0221386 0.0000000 0.0723814 -2.3321705 7 Y 4.7048311 0.0000000 0.0000000 0.0000000 1.5777682 0.3600547 0.0000000 0.6597183 4.6754320 8 Y 4.7048311 0.0000000 0.0000000 0.0000000 1.5777682 -0.3600547 0.0000000 -0.6597183 4.6754320 9 Cs 1.1743383 0.0000000 0.0000000 0.0000000 1.9989267 0.0000000 0.0000000 0.0000000 1.3596484 10 Cs 1.1743383 0.0000000 0.0000000 0.0000000 1.9989267 0.0000000 0.0000000 0.0000000 1.3596484 11 Hg 2.2011999 0.0000000 0.0000000 0.0000000 0.9317764 0.0000000 0.0000000 0.0000000 2.0253781 12 Hg 2.2011999 0.0000000 0.0000000 0.0000000 0.9317764 0.0000000 0.0000000 0.0000000 2.0253781 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 12 12 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: 0.58, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 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 0.985 ( 0.000 0.000 0.000) 0.000 1.041 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.387 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 15.102 0.579 0.000) 15.113 0.346 ( 16.582 -1.792 0.000) 16.679 0.584 ( 24.983 -6.470 0.000) 25.808 1.019 ( 3.637 0.164 0.000) 3.641 1.100 ( 5.132 -1.777 0.000) 5.431 1.105 ( 3.553 0.457 0.000) 3.582 1.329 ( -2.623 1.387 0.000) 2.967 1.456 ( 5.922 1.052 0.000) 6.014 1.497 ( 1.518 0.595 0.000) 1.630 1.547 ( 2.172 0.004 0.000) 2.172 1.559 ( 8.129 -0.135 0.000) 8.130 1.651 ( 1.234 0.371 0.000) 1.288 1.656 ( 9.240 0.564 0.000) 9.257 1.803 ( 5.311 -0.422 0.000) 5.328 1.909 ( -1.498 0.791 0.000) 1.694 2.043 ( -3.686 -2.272 0.000) 4.330 2.352 ( -0.614 0.043 0.000) 0.615 3.317 ( 1.136 -0.321 0.000) 1.181 3.334 ( 2.490 -0.037 0.000) 2.491 3.589 ( 3.690 -0.141 0.000) 3.693 3.693 ( -3.396 -0.055 0.000) 3.397 3.886 ( 0.411 0.348 0.000) 0.539 4.027 ( 6.958 -0.003 0.000) 6.958 4.066 ( -3.412 -0.224 0.000) 3.419 4.242 ( 3.107 0.011 0.000) 3.107 4.260 ( 3.203 0.054 0.000) 3.203 4.433 ( 3.459 -0.007 0.000) 3.459 4.685 ( 1.866 0.218 0.000) 1.879 4.727 ( -3.260 -0.127 0.000) 3.263 4.952 ( 0.078 0.019 0.000) 0.080 5.272 ( -6.078 3.600 0.000) 7.064 5.336 ( -1.695 -0.048 0.000) 1.696 5.646 ( 9.231 31.424 0.000) 32.752 5.769 ( 2.138 0.634 0.000) 2.229 6.024 ( -10.613 -17.705 0.000) 20.642 6.049 ( -4.262 -0.818 0.000) 4.340 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 14.667 2.984 0.000) 14.967 0.663 ( 14.026 -2.108 0.000) 14.183 0.968 ( 9.319 -3.041 0.000) 9.802 1.167 ( 11.725 0.532 0.000) 11.737 1.188 ( 4.976 1.672 0.000) 5.250 1.230 ( 6.151 -2.982 0.000) 6.835 1.269 ( -2.454 1.559 0.000) 2.908 1.529 ( 2.950 2.456 0.000) 3.839 1.565 ( 5.451 0.768 0.000) 5.505 1.610 ( -0.688 0.390 0.000) 0.791 1.625 ( 5.763 -0.318 0.000) 5.772 1.697 ( 2.435 -1.246 0.000) 2.735 1.809 ( -0.793 -1.042 0.000) 1.310 1.968 ( -4.090 -1.107 0.000) 4.237 2.002 ( 17.137 1.058 0.000) 17.170 2.082 ( 20.530 0.498 0.000) 20.536 2.336 ( -1.000 -0.028 0.000) 1.001 3.336 ( 0.493 -0.501 0.000) 0.703 3.390 ( 2.626 -0.120 0.000) 2.629 3.636 ( -2.322 -0.160 0.000) 2.327 3.696 ( 6.461 -0.532 0.000) 6.483 3.898 ( 1.067 0.405 0.000) 1.141 4.006 ( -2.546 -0.230 0.000) 2.556 4.145 ( 4.404 0.049 0.000) 4.404 4.308 ( 2.568 0.248 0.000) 2.579 4.312 ( 2.620 -0.186 0.000) 2.626 4.538 ( 6.556 -0.158 0.000) 6.558 4.632 ( -6.287 -0.163 0.000) 6.289 4.739 ( 3.302 0.205 0.000) 3.309 4.956 ( 0.239 -0.085 0.000) 0.253 5.077 ( -11.660 1.292 0.000) 11.732 5.288 ( -3.157 -0.056 0.000) 3.157 5.658 ( 3.524 14.624 0.000) 15.043 5.829 ( 4.224 1.482 0.000) 4.476 5.880 ( -9.127 -6.391 0.000) 11.142 5.944 ( -6.342 -1.508 0.000) 6.519 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 12.180 4.948 0.000) 13.146 0.897 ( 7.931 -1.620 0.000) 8.095 1.081 ( 3.285 1.028 0.000) 3.442 1.203 ( -2.399 1.238 0.000) 2.700 1.282 ( 1.622 2.857 0.000) 3.286 1.306 ( 7.223 1.580 0.000) 7.394 1.388 ( 6.463 3.408 0.000) 7.306 1.584 ( -1.713 -0.910 0.000) 1.939 1.588 ( 4.525 2.168 0.000) 5.017 1.689 ( 6.028 -1.821 0.000) 6.297 1.764 ( 3.937 -0.029 0.000) 3.937 1.768 ( 7.000 -2.303 0.000) 7.369 1.787 ( -0.111 -3.664 0.000) 3.666 1.910 ( -2.213 -3.483 0.000) 4.127 2.314 ( -1.036 -0.128 0.000) 1.044 2.395 ( 20.189 0.126 0.000) 20.190 2.513 ( 21.680 0.392 0.000) 21.683 3.346 ( 0.422 -0.299 0.000) 0.517 3.417 ( -0.551 -0.160 0.000) 0.574 3.604 ( -0.845 -0.133 0.000) 0.855 3.822 ( 4.953 -0.750 0.000) 5.009 3.926 ( 1.991 0.129 0.000) 1.995 3.981 ( 0.336 -0.057 0.000) 0.341 4.204 ( 2.104 -0.007 0.000) 2.104 4.325 ( -2.536 -0.128 0.000) 2.540 4.356 ( 2.780 0.124 0.000) 2.782 4.490 ( -7.677 -0.154 0.000) 7.678 4.667 ( 5.894 -0.141 0.000) 5.896 4.791 ( 1.496 0.140 0.000) 1.502 4.833 ( -10.246 0.436 0.000) 10.255 4.976 ( 1.289 0.121 0.000) 1.295 5.215 ( -4.137 -0.007 0.000) 4.137 5.589 ( -5.819 2.819 0.000) 6.466 5.787 ( -0.930 3.203 0.000) 3.335 5.810 ( -5.858 -0.483 0.000) 5.878 5.934 ( 5.060 0.840 0.000) 5.129 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 2.188 0.086 0.000) 2.189 0.995 ( 5.820 5.755 0.000) 8.185 1.093 ( -0.103 3.553 0.000) 3.555 1.146 ( -2.927 -0.203 0.000) 2.934 1.267 ( 0.656 6.173 0.000) 6.208 1.441 ( 2.946 6.242 0.000) 6.902 1.472 ( 9.283 0.855 0.000) 9.323 1.559 ( -1.168 -1.311 0.000) 1.756 1.677 ( 3.841 -0.477 0.000) 3.871 1.751 ( 0.623 -4.656 0.000) 4.698 1.840 ( 3.444 0.405 0.000) 3.468 1.855 ( 0.176 -5.823 0.000) 5.825 1.890 ( 5.483 -2.845 0.000) 6.177 1.962 ( 5.227 -1.963 0.000) 5.583 2.297 ( -0.814 -0.284 0.000) 0.862 2.743 ( 14.009 -0.526 0.000) 14.019 2.887 ( 15.117 0.182 0.000) 15.118 3.361 ( 1.254 0.109 0.000) 1.259 3.362 ( -4.761 -0.158 0.000) 4.764 3.617 ( 2.513 0.056 0.000) 2.514 3.845 ( -4.609 -0.675 0.000) 4.658 3.971 ( 2.340 -0.156 0.000) 2.345 4.031 ( 4.766 0.136 0.000) 4.768 4.239 ( -3.150 -0.154 0.000) 3.153 4.246 ( 2.413 -0.113 0.000) 2.416 4.352 ( -5.902 -0.002 0.000) 5.902 4.424 ( 4.189 0.019 0.000) 4.189 4.695 ( -4.149 0.037 0.000) 4.149 4.756 ( 2.584 -0.112 0.000) 2.586 4.788 ( -1.738 0.080 0.000) 1.740 5.016 ( 2.855 0.129 0.000) 2.858 5.130 ( -4.174 0.099 0.000) 4.175 5.447 ( -7.055 -0.095 0.000) 7.055 5.708 ( -4.431 -0.637 0.000) 4.476 5.767 ( 0.234 4.374 0.000) 4.380 6.024 ( 4.160 1.197 0.000) 4.328 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.833 4.442 0.000) 5.269 1.013 ( 0.514 0.948 0.000) 1.078 1.096 ( -2.220 -0.952 0.000) 2.416 1.104 ( 1.543 3.137 0.000) 3.496 1.264 ( 1.782 4.930 0.000) 5.242 1.469 ( 2.405 3.205 0.000) 4.007 1.535 ( -0.717 -0.738 0.000) 1.029 1.648 ( 6.978 0.214 0.000) 6.981 1.723 ( 1.297 -0.562 0.000) 1.413 1.777 ( -1.552 -5.208 0.000) 5.434 1.884 ( 1.036 0.171 0.000) 1.050 1.904 ( 2.765 -2.395 0.000) 3.658 1.987 ( 3.043 -0.831 0.000) 3.155 2.050 ( 2.187 -1.630 0.000) 2.728 2.286 ( -0.404 -0.211 0.000) 0.456 2.942 ( 5.964 -0.457 0.000) 5.982 3.085 ( 5.298 -0.020 0.000) 5.298 3.257 ( -4.943 -0.099 0.000) 4.944 3.402 ( 3.207 0.547 0.000) 3.253 3.674 ( -10.475 -0.900 0.000) 10.514 3.698 ( 4.763 0.167 0.000) 4.766 4.011 ( 1.441 -0.167 0.000) 1.451 4.144 ( 5.603 0.169 0.000) 5.606 4.246 ( 2.293 -0.095 0.000) 2.295 4.267 ( -2.612 0.073 0.000) 2.613 4.307 ( 3.455 -0.140 0.000) 3.458 4.525 ( 6.101 -0.019 0.000) 6.101 4.630 ( -2.697 -0.048 0.000) 2.697 4.730 ( -3.535 0.054 0.000) 3.536 4.759 ( -2.647 -0.235 0.000) 2.657 5.058 ( -1.986 0.262 0.000) 2.004 5.087 ( 3.411 0.018 0.000) 3.411 5.322 ( -5.568 -0.154 0.000) 5.570 5.644 ( -2.224 -0.363 0.000) 2.253 5.745 ( -0.469 2.508 0.000) 2.551 6.079 ( 1.904 0.769 0.000) 2.053 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 -0.000 0.000) 0.000 1.014 ( 0.000 -0.000 0.000) 0.000 1.076 ( 0.000 -0.000 0.000) 0.000 1.107 ( 0.000 -0.000 0.000) 0.000 1.271 ( 0.000 -0.000 0.000) 0.000 1.489 ( 0.000 -0.000 0.000) 0.000 1.529 ( 0.000 -0.000 0.000) 0.000 1.725 ( -0.000 -0.000 0.000) 0.000 1.747 ( 0.000 -0.000 0.000) 0.000 1.760 ( 0.000 -0.000 0.000) 0.000 1.888 ( 0.000 -0.000 0.000) 0.000 1.946 ( 0.000 -0.000 0.000) 0.000 2.019 ( 0.000 -0.000 0.000) 0.000 2.072 ( 0.000 -0.000 0.000) 0.000 2.282 ( 0.000 -0.000 0.000) 0.000 2.999 ( 0.000 -0.000 0.000) 0.000 3.131 ( 0.000 -0.000 0.000) 0.000 3.203 ( 0.000 -0.000 0.000) 0.000 3.476 ( 0.000 -0.000 0.000) 0.000 3.521 ( 0.000 -0.000 0.000) 0.000 3.753 ( 0.000 -0.000 0.000) 0.000 4.026 ( 0.000 -0.000 0.000) 0.000 4.206 ( 0.000 -0.000 0.000) 0.000 4.242 ( 0.000 -0.000 0.000) 0.000 4.277 ( 0.000 -0.000 0.000) 0.000 4.354 ( 0.000 -0.000 0.000) 0.000 4.599 ( 0.000 -0.000 0.000) 0.000 4.646 ( -0.000 -0.000 0.000) 0.000 4.673 ( 0.000 -0.000 0.000) 0.000 4.684 ( 0.000 -0.000 0.000) 0.000 5.036 ( 0.000 -0.000 0.000) 0.000 5.141 ( 0.000 -0.000 0.000) 0.000 5.250 ( 0.000 -0.000 0.000) 0.000 5.623 ( 0.000 -0.000 0.000) 0.000 5.731 ( 0.000 -0.000 0.000) 0.000 6.095 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 15.104 -0.000 0.000) 15.104 0.652 ( 14.251 -0.000 0.000) 14.251 0.948 ( 11.347 -0.000 0.000) 11.347 1.175 ( 12.520 -0.000 0.000) 12.520 1.197 ( 5.318 -0.000 0.000) 5.318 1.208 ( 5.649 -0.000 0.000) 5.649 1.277 ( -3.031 0.000 0.000) 3.031 1.543 ( 2.973 -0.000 0.000) 2.973 1.570 ( 5.474 -0.000 0.000) 5.474 1.613 ( -1.071 0.000 0.000) 1.071 1.623 ( 5.533 -0.000 0.000) 5.533 1.689 ( 2.869 -0.000 0.000) 2.869 1.804 ( -1.243 0.000 0.000) 1.243 1.961 ( -4.539 0.000 0.000) 4.539 2.008 ( 16.887 -0.000 0.000) 16.887 2.084 ( 20.527 -0.000 0.000) 20.527 2.336 ( -1.045 0.000 0.000) 1.045 3.333 ( 0.559 -0.000 0.000) 0.559 3.390 ( 2.620 -0.000 0.000) 2.620 3.635 ( -2.317 0.000 0.000) 2.317 3.693 ( 6.415 -0.000 0.000) 6.415 3.900 ( 0.980 -0.000 0.000) 0.980 4.005 ( -2.487 0.000 0.000) 2.487 4.145 ( 4.400 -0.000 0.000) 4.400 4.310 ( 3.040 -0.000 0.000) 3.040 4.311 ( 2.128 -0.000 0.000) 2.128 4.537 ( 6.552 -0.000 0.000) 6.552 4.631 ( -6.290 0.000 0.000) 6.290 4.740 ( 3.273 -0.000 0.000) 3.273 4.955 ( 0.235 -0.000 0.000) 0.235 5.084 ( -12.054 0.000 0.000) 12.054 5.288 ( -3.146 0.000 0.000) 3.146 5.787 ( 1.827 -0.000 0.000) 1.827 5.797 ( -9.297 0.000 0.000) 9.297 5.837 ( 4.513 -0.000 0.000) 4.513 5.935 ( -6.537 0.000 0.000) 6.537 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 12.447 2.395 0.000) 12.676 0.886 ( 8.610 -0.563 0.000) 8.628 1.085 ( 4.020 0.035 0.000) 4.020 1.212 ( -3.284 0.455 0.000) 3.315 1.300 ( 3.386 0.718 0.000) 3.462 1.317 ( 7.244 0.545 0.000) 7.265 1.412 ( 9.089 1.114 0.000) 9.157 1.578 ( -2.026 -0.311 0.000) 2.050 1.610 ( 4.088 1.464 0.000) 4.342 1.681 ( 4.517 -0.013 0.000) 4.517 1.750 ( 5.476 -0.965 0.000) 5.560 1.755 ( -0.534 -1.935 0.000) 2.008 1.763 ( 4.295 -0.033 0.000) 4.295 1.881 ( -2.550 -1.657 0.000) 3.041 2.313 ( -1.127 -0.043 0.000) 1.127 2.396 ( 19.832 0.066 0.000) 19.832 2.516 ( 21.618 0.141 0.000) 21.619 3.343 ( 0.580 -0.113 0.000) 0.591 3.415 ( -0.540 -0.059 0.000) 0.543 3.603 ( -0.788 -0.049 0.000) 0.789 3.816 ( 5.039 -0.265 0.000) 5.046 3.927 ( 1.847 0.047 0.000) 1.847 3.980 ( 0.420 -0.017 0.000) 0.420 4.204 ( 2.065 -0.002 0.000) 2.065 4.324 ( -2.530 -0.035 0.000) 2.531 4.357 ( 2.757 0.046 0.000) 2.758 4.489 ( -7.623 -0.057 0.000) 7.624 4.666 ( 5.943 -0.054 0.000) 5.944 4.792 ( 1.452 0.050 0.000) 1.453 4.837 ( -10.483 0.153 0.000) 10.484 4.977 ( 1.258 0.045 0.000) 1.259 5.215 ( -4.110 -0.010 0.000) 4.110 5.608 ( -8.745 0.858 0.000) 8.787 5.806 ( -6.159 -0.162 0.000) 6.162 5.812 ( 0.727 1.354 0.000) 1.536 5.940 ( 5.457 0.293 0.000) 5.465 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 2.806 0.047 0.000) 2.806 1.051 ( 5.973 4.569 0.000) 7.520 1.116 ( -0.032 0.845 0.000) 0.845 1.145 ( -3.380 -0.120 0.000) 3.382 1.325 ( 0.823 4.275 0.000) 4.353 1.481 ( 9.014 0.714 0.000) 9.043 1.506 ( 2.805 5.611 0.000) 6.273 1.547 ( -1.209 -0.968 0.000) 1.549 1.672 ( 1.721 -0.433 0.000) 1.775 1.704 ( 0.521 -4.049 0.000) 4.083 1.798 ( 0.818 -4.566 0.000) 4.639 1.843 ( 3.421 0.230 0.000) 3.429 1.865 ( 6.560 -1.808 0.000) 6.805 1.946 ( 5.602 -1.106 0.000) 5.710 2.294 ( -0.815 -0.162 0.000) 0.831 2.739 ( 13.934 -0.271 0.000) 13.937 2.888 ( 14.987 0.105 0.000) 14.987 3.361 ( -4.742 -0.092 0.000) 4.743 3.362 ( 1.435 0.062 0.000) 1.436 3.618 ( 2.606 0.033 0.000) 2.606 3.840 ( -4.594 -0.384 0.000) 4.610 3.970 ( 2.280 -0.091 0.000) 2.281 4.032 ( 4.820 0.079 0.000) 4.821 4.238 ( -3.160 -0.083 0.000) 3.161 4.245 ( 2.386 -0.065 0.000) 2.387 4.352 ( -5.838 -0.002 0.000) 5.838 4.424 ( 4.134 0.009 0.000) 4.134 4.696 ( -4.274 0.021 0.000) 4.274 4.755 ( 2.599 -0.079 0.000) 2.601 4.788 ( -1.759 0.046 0.000) 1.760 5.018 ( 2.852 0.080 0.000) 2.853 5.131 ( -4.133 0.044 0.000) 4.133 5.447 ( -7.257 0.034 0.000) 7.257 5.703 ( -4.311 -0.346 0.000) 4.325 5.803 ( -0.600 2.435 0.000) 2.507 6.034 ( 4.015 0.669 0.000) 4.070 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -4.000 4.176 0.000) 5.783 1.023 ( 0.776 0.950 0.000) 1.227 1.086 ( -2.498 -0.951 0.000) 2.673 1.133 ( 0.578 2.315 0.000) 2.386 1.306 ( -0.834 2.915 0.000) 3.032 1.504 ( 0.377 3.306 0.000) 3.327 1.528 ( -0.442 -0.514 0.000) 0.678 1.650 ( 6.943 0.131 0.000) 6.945 1.716 ( 0.487 -3.121 0.000) 3.159 1.727 ( 1.759 -1.813 0.000) 2.526 1.883 ( 4.620 -1.622 0.000) 4.896 1.885 ( 0.871 0.121 0.000) 0.879 1.976 ( 3.674 -1.175 0.000) 3.857 2.034 ( 2.341 -1.300 0.000) 2.677 2.284 ( -0.314 -0.151 0.000) 0.348 2.938 ( 6.187 -0.253 0.000) 6.192 3.085 ( 5.263 -0.014 0.000) 5.263 3.256 ( -4.896 -0.074 0.000) 4.897 3.406 ( 3.368 0.379 0.000) 3.389 3.665 ( -10.564 -0.683 0.000) 10.586 3.700 ( 4.733 0.124 0.000) 4.735 4.010 ( 1.500 -0.124 0.000) 1.506 4.146 ( 5.559 0.132 0.000) 5.561 4.246 ( 2.354 -0.066 0.000) 2.355 4.268 ( -2.632 0.058 0.000) 2.633 4.306 ( 3.493 -0.107 0.000) 3.495 4.525 ( 6.141 -0.023 0.000) 6.141 4.630 ( -2.692 -0.043 0.000) 2.693 4.731 ( -3.549 0.040 0.000) 3.549 4.757 ( -2.698 -0.172 0.000) 2.703 5.061 ( -2.146 0.259 0.000) 2.161 5.086 ( 3.519 -0.060 0.000) 3.519 5.321 ( -5.496 -0.059 0.000) 5.496 5.641 ( -2.056 -0.257 0.000) 2.072 5.768 ( -1.621 1.790 0.000) 2.415 6.086 ( 1.574 0.554 0.000) 1.669 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -2.281 1.381 0.000) 2.666 1.016 ( -0.813 0.339 0.000) 0.881 1.074 ( 0.823 -0.358 0.000) 0.898 1.110 ( -1.618 0.486 0.000) 1.689 1.259 ( -3.445 -2.055 0.000) 4.011 1.487 ( -1.788 -0.439 0.000) 1.841 1.530 ( 0.429 0.051 0.000) 0.432 1.725 ( -0.175 -0.021 0.000) 0.176 1.727 ( 0.232 -1.420 0.000) 1.439 1.790 ( 3.906 3.144 0.000) 5.014 1.888 ( -0.006 -0.001 0.000) 0.006 1.948 ( 0.974 0.367 0.000) 1.040 2.018 ( 0.180 -0.164 0.000) 0.244 2.066 ( 0.786 -1.127 0.000) 1.374 2.282 ( 0.114 0.001 0.000) 0.114 3.000 ( 0.299 0.144 0.000) 0.332 3.131 ( 0.034 -0.000 0.000) 0.034 3.203 ( 0.050 -0.002 0.000) 0.050 3.474 ( -2.556 -0.364 0.000) 2.582 3.523 ( 2.761 0.269 0.000) 2.774 3.753 ( -0.114 0.001 0.000) 0.114 4.026 ( 0.096 -0.001 0.000) 0.096 4.206 ( -0.103 0.002 0.000) 0.103 4.242 ( -0.047 0.002 0.000) 0.047 4.277 ( 0.041 0.020 0.000) 0.045 4.354 ( 0.098 -0.002 0.000) 0.098 4.599 ( 0.025 0.002 0.000) 0.025 4.646 ( -0.780 -0.026 0.000) 0.780 4.673 ( 1.007 0.002 0.000) 1.007 4.684 ( -0.041 0.000 0.000) 0.041 5.036 ( -0.186 0.010 0.000) 0.186 5.141 ( -0.011 -0.004 0.000) 0.012 5.250 ( 0.064 0.000 0.000) 0.064 5.623 ( 0.191 0.000 0.000) 0.191 5.731 ( -1.324 0.009 0.000) 1.324 6.095 ( -0.421 0.000 0.000) 0.421 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.185 -3.375 0.000) 3.577 1.004 ( -0.526 -0.751 0.000) 0.917 1.071 ( -3.159 -2.916 0.000) 4.299 1.105 ( 2.230 0.758 0.000) 2.355 1.208 ( -3.205 -5.448 0.000) 6.321 1.437 ( -3.894 -3.022 0.000) 4.929 1.543 ( 1.065 0.791 0.000) 1.326 1.645 ( -7.069 -0.266 0.000) 7.074 1.732 ( -0.295 1.044 0.000) 1.085 1.827 ( 1.038 4.072 0.000) 4.203 1.882 ( -1.226 -0.178 0.000) 1.239 1.933 ( -0.322 2.962 0.000) 2.979 1.994 ( -2.505 0.545 0.000) 2.563 2.065 ( -1.561 0.994 0.000) 1.851 2.288 ( 0.509 0.217 0.000) 0.553 2.947 ( -5.734 0.591 0.000) 5.765 3.085 ( -5.338 0.020 0.000) 5.338 3.258 ( 4.996 0.097 0.000) 4.997 3.395 ( -2.999 -0.586 0.000) 3.056 3.683 ( 10.383 0.862 0.000) 10.419 3.697 ( -4.796 -0.165 0.000) 4.799 4.013 ( -1.373 0.164 0.000) 1.383 4.143 ( -5.657 -0.158 0.000) 5.660 4.248 ( -2.222 0.101 0.000) 2.225 4.266 ( 2.601 -0.066 0.000) 2.602 4.309 ( -3.422 0.134 0.000) 3.425 4.525 ( -6.058 0.005 0.000) 6.058 4.631 ( 2.706 0.034 0.000) 2.706 4.730 ( 3.520 -0.054 0.000) 3.520 4.762 ( 2.579 0.235 0.000) 2.589 5.056 ( 2.018 -0.181 0.000) 2.026 5.086 ( -3.505 -0.107 0.000) 3.507 5.324 ( 5.746 0.256 0.000) 5.751 5.648 ( 2.433 0.378 0.000) 2.462 5.717 ( -0.960 -2.596 0.000) 2.768 6.070 ( -2.300 -0.784 0.000) 2.430 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -5.739 -5.197 0.000) 7.743 0.993 ( -1.342 -0.109 0.000) 1.346 1.044 ( 0.249 -5.524 0.000) 5.530 1.149 ( 2.284 0.225 0.000) 2.295 1.202 ( -0.512 -5.992 0.000) 6.014 1.380 ( -3.676 -5.275 0.000) 6.430 1.464 ( -9.921 -0.698 0.000) 9.945 1.573 ( 1.422 1.252 0.000) 1.894 1.681 ( -4.790 0.188 0.000) 4.794 1.799 ( -0.588 4.481 0.000) 4.519 1.835 ( -3.489 -0.481 0.000) 3.522 1.907 ( -3.941 3.387 0.000) 5.197 1.927 ( -0.524 4.455 0.000) 4.485 1.985 ( -4.972 2.301 0.000) 5.479 2.300 ( 0.812 0.333 0.000) 0.878 2.750 ( -14.115 0.700 0.000) 14.132 2.885 ( -15.298 -0.212 0.000) 15.299 3.360 ( -1.001 -0.127 0.000) 1.009 3.364 ( 4.786 0.179 0.000) 4.789 3.616 ( -2.389 -0.063 0.000) 2.389 3.853 ( 4.669 0.801 0.000) 4.737 3.973 ( -2.421 0.178 0.000) 2.427 4.030 ( -4.692 -0.158 0.000) 4.695 4.241 ( 3.147 0.196 0.000) 3.153 4.248 ( -2.452 0.133 0.000) 2.456 4.352 ( 5.991 0.001 0.000) 5.991 4.424 ( -4.257 -0.028 0.000) 4.257 4.695 ( 3.997 -0.044 0.000) 3.997 4.757 ( -2.600 0.080 0.000) 2.602 4.787 ( 1.708 -0.093 0.000) 1.710 5.015 ( -2.872 -0.135 0.000) 2.876 5.129 ( 4.231 -0.151 0.000) 4.233 5.450 ( 6.843 0.490 0.000) 6.860 5.714 ( -1.443 -5.433 0.000) 5.621 5.716 ( 4.632 0.807 0.000) 4.702 6.010 ( -4.395 -1.455 0.000) 4.630 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -11.068 -4.178 0.000) 11.831 0.919 ( -6.589 2.470 0.000) 7.036 1.062 ( -2.026 -2.578 0.000) 3.279 1.187 ( 0.990 -1.718 0.000) 1.983 1.240 ( 0.378 -4.990 0.000) 5.004 1.284 ( -7.617 -2.386 0.000) 7.982 1.342 ( -3.832 -5.116 0.000) 6.392 1.571 ( -5.472 -0.913 0.000) 5.548 1.596 ( 1.435 1.388 0.000) 1.997 1.718 ( -6.927 3.380 0.000) 7.708 1.763 ( -3.454 -0.118 0.000) 3.457 1.798 ( -8.407 3.400 0.000) 9.068 1.826 ( -0.522 3.546 0.000) 3.584 1.947 ( 1.365 3.283 0.000) 3.555 2.316 ( 0.902 0.199 0.000) 0.924 2.394 ( -20.750 -0.040 0.000) 20.750 2.508 ( -21.808 -0.554 0.000) 21.815 3.349 ( -0.168 0.387 0.000) 0.422 3.419 ( 0.570 0.214 0.000) 0.609 3.606 ( 0.943 0.182 0.000) 0.960 3.831 ( -4.797 1.093 0.000) 4.920 3.925 ( -2.240 -0.176 0.000) 2.247 3.982 ( -0.176 0.104 0.000) 0.205 4.205 ( -2.169 0.011 0.000) 2.169 4.327 ( 2.582 0.276 0.000) 2.597 4.354 ( -2.809 -0.165 0.000) 2.814 4.492 ( 7.768 0.209 0.000) 7.771 4.669 ( -5.807 0.166 0.000) 5.809 4.789 ( -1.574 -0.197 0.000) 1.586 4.828 ( 9.814 -0.652 0.000) 9.835 4.974 ( -1.326 -0.159 0.000) 1.335 5.215 ( 4.172 -0.042 0.000) 4.172 5.548 ( -0.099 -5.009 0.000) 5.010 5.751 ( 4.723 -3.182 0.000) 5.695 5.816 ( 5.271 0.796 0.000) 5.330 5.922 ( -4.303 -1.280 0.000) 4.489 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -12.412 -0.925 0.000) 12.446 0.695 ( -13.455 3.922 0.000) 14.015 0.996 ( -5.355 1.916 0.000) 5.688 1.163 ( -4.315 -2.868 0.000) 5.181 1.169 ( -10.640 0.589 0.000) 10.656 1.244 ( 1.145 -3.229 0.000) 3.426 1.258 ( -4.722 2.039 0.000) 5.143 1.498 ( -3.085 -3.113 0.000) 4.383 1.560 ( -6.218 0.262 0.000) 6.224 1.609 ( 0.223 0.381 0.000) 0.441 1.630 ( -6.498 0.755 0.000) 6.542 1.711 ( -1.792 1.278 0.000) 2.201 1.823 ( -0.260 1.339 0.000) 1.364 1.971 ( -6.621 -1.409 0.000) 6.769 1.997 ( -8.189 0.880 0.000) 8.236 2.074 ( -20.584 -0.865 0.000) 20.602 2.336 ( 0.891 0.029 0.000) 0.892 3.343 ( -0.338 0.787 0.000) 0.857 3.392 ( -2.641 0.206 0.000) 2.649 3.639 ( 2.334 0.279 0.000) 2.350 3.704 ( -6.597 0.966 0.000) 6.667 3.892 ( -1.305 -0.702 0.000) 1.482 4.009 ( 2.707 0.435 0.000) 2.742 4.144 ( -4.415 -0.082 0.000) 4.415 4.305 ( -2.472 -0.357 0.000) 2.498 4.315 ( -2.786 0.348 0.000) 2.808 4.540 ( -6.555 0.285 0.000) 6.562 4.635 ( 6.282 0.285 0.000) 6.288 4.736 ( -3.388 -0.373 0.000) 3.409 4.957 ( -0.262 0.109 0.000) 0.283 5.058 ( 10.535 -2.199 0.000) 10.762 5.288 ( 3.146 0.005 0.000) 3.146 5.491 ( -10.484 -16.654 0.000) 19.679 5.810 ( -4.001 -1.922 0.000) 4.439 5.931 ( 12.106 3.504 0.000) 12.603 5.963 ( 6.380 1.976 0.000) 6.679 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -10.426 5.504 0.000) 11.790 0.381 ( -15.323 4.695 0.000) 16.026 0.689 ( -21.001 12.060 0.000) 24.217 1.020 ( -2.403 0.651 0.000) 2.490 1.095 ( -3.270 -1.343 0.000) 3.535 1.131 ( -5.705 3.706 0.000) 6.802 1.300 ( 2.382 -3.967 0.000) 4.627 1.437 ( -5.948 -2.358 0.000) 6.399 1.486 ( -1.419 -1.341 0.000) 1.953 1.544 ( -2.217 -0.574 0.000) 2.290 1.562 ( -8.115 0.446 0.000) 8.127 1.645 ( -2.475 -0.498 0.000) 2.524 1.646 ( -9.564 -1.270 0.000) 9.648 1.810 ( -4.192 0.671 0.000) 4.245 1.894 ( 1.270 -1.947 0.000) 2.325 2.078 ( 7.839 3.468 0.000) 8.572 2.351 ( 0.576 -0.118 0.000) 0.587 3.323 ( -1.218 0.728 0.000) 1.419 3.335 ( -2.523 0.101 0.000) 2.525 3.592 ( -3.815 0.368 0.000) 3.832 3.694 ( 3.330 0.156 0.000) 3.334 3.879 ( -0.515 -0.953 0.000) 1.083 4.027 ( -6.888 0.010 0.000) 6.888 4.071 ( 3.510 0.624 0.000) 3.565 4.241 ( -3.213 -0.110 0.000) 3.215 4.259 ( -3.182 -0.142 0.000) 3.185 4.433 ( -3.650 -0.016 0.000) 3.650 4.681 ( -1.880 -0.559 0.000) 1.961 4.730 ( 3.209 0.298 0.000) 3.223 4.951 ( -0.877 -0.525 0.000) 1.022 5.134 ( -20.784 -26.091 0.000) 33.358 5.333 ( 0.834 -1.979 0.000) 2.147 5.364 ( -4.441 -11.802 0.000) 12.610 5.757 ( -2.061 -1.541 0.000) 2.573 6.065 ( 4.328 2.051 0.000) 4.789 6.164 ( 14.688 8.687 0.000) 17.065 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.109 ( 0.000 10.237 0.000) 10.237 0.164 ( 0.000 15.370 0.000) 15.370 0.244 ( 0.000 22.936 0.000) 22.936 0.997 ( 0.000 2.381 0.000) 2.381 1.047 ( 0.000 1.138 0.000) 1.138 1.065 ( -0.000 -0.622 0.000) 0.622 1.351 ( -0.000 -0.799 0.000) 0.799 1.370 ( -0.000 -3.269 0.000) 3.269 1.418 ( 0.000 0.116 0.000) 0.116 1.477 ( -0.000 -0.923 0.000) 0.923 1.533 ( -0.000 -0.441 0.000) 0.441 1.583 ( -0.000 -1.384 0.000) 1.384 1.636 ( -0.000 -0.988 0.000) 0.988 1.782 ( 0.000 1.482 0.000) 1.482 1.921 ( -0.000 -1.704 0.000) 1.704 2.358 ( -0.000 -0.119 0.000) 0.119 2.468 ( -0.000 -3.377 0.000) 3.377 3.301 ( -0.000 -0.086 0.000) 0.086 3.307 ( 0.000 0.033 0.000) 0.033 3.558 ( 0.000 0.029 0.000) 0.029 3.744 ( -0.000 -0.032 0.000) 0.032 3.879 ( -0.000 -0.768 0.000) 0.768 3.933 ( 0.000 0.146 0.000) 0.146 3.953 ( 0.000 0.167 0.000) 0.167 4.118 ( 0.000 0.686 0.000) 0.686 4.209 ( 0.000 0.112 0.000) 0.112 4.220 ( 0.000 0.145 0.000) 0.145 4.404 ( 0.000 0.361 0.000) 0.361 4.666 ( -0.000 -0.445 0.000) 0.445 4.761 ( 0.000 0.199 0.000) 0.199 4.958 ( 0.000 0.035 0.000) 0.035 5.352 ( -0.000 -0.155 0.000) 0.155 5.389 ( -0.000 -1.872 0.000) 1.872 5.744 ( -0.000 -1.093 0.000) 1.093 6.099 ( 0.000 1.595 0.000) 1.595 6.401 ( -0.000 -0.115 0.000) 0.115 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 3.032 -0.000 0.000) 3.032 1.079 ( 7.088 -0.000 0.000) 7.088 1.117 ( -1.094 0.000 0.000) 1.094 1.144 ( -3.542 0.000 0.000) 3.542 1.349 ( 0.981 -0.000 0.000) 0.981 1.485 ( 9.087 -0.000 0.000) 9.087 1.541 ( -1.402 0.000 0.000) 1.402 1.542 ( 3.386 -0.000 0.000) 3.386 1.670 ( -0.446 0.000 0.000) 0.446 1.677 ( 0.170 -0.000 0.000) 0.170 1.771 ( 2.200 -0.000 0.000) 2.200 1.844 ( 3.414 -0.000 0.000) 3.414 1.855 ( 6.765 -0.000 0.000) 6.765 1.940 ( 5.786 -0.000 0.000) 5.786 2.293 ( -0.816 0.000 0.000) 0.816 2.738 ( 13.908 -0.000 0.000) 13.908 2.889 ( 14.939 -0.000 0.000) 14.939 3.361 ( -4.735 0.000 0.000) 4.735 3.363 ( 1.500 -0.000 0.000) 1.500 3.618 ( 2.640 -0.000 0.000) 2.640 3.838 ( -4.594 0.000 0.000) 4.594 3.969 ( 2.258 -0.000 0.000) 2.258 4.033 ( 4.840 -0.000 0.000) 4.840 4.237 ( -3.166 0.000 0.000) 3.166 4.245 ( 2.376 -0.000 0.000) 2.376 4.352 ( -5.814 0.000 0.000) 5.814 4.424 ( 4.112 -0.000 0.000) 4.112 4.696 ( -4.323 0.000 0.000) 4.323 4.755 ( 2.610 -0.000 0.000) 2.610 4.789 ( -1.767 0.000 0.000) 1.767 5.018 ( 2.854 -0.000 0.000) 2.854 5.131 ( -4.118 0.000 0.000) 4.118 5.447 ( -7.334 0.000 0.000) 7.334 5.701 ( -4.273 0.000 0.000) 4.273 5.816 ( -0.900 0.000 0.000) 0.900 6.038 ( 3.966 -0.000 0.000) 3.966 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.308 0.478 0.000) 1.392 1.047 ( -4.680 1.867 0.000) 5.039 1.078 ( -3.044 -0.478 0.000) 3.081 1.149 ( 0.376 0.717 0.000) 0.809 1.326 ( -3.123 0.871 0.000) 3.242 1.525 ( -0.287 -0.183 0.000) 0.341 1.534 ( -1.940 1.914 0.000) 2.725 1.651 ( 6.936 0.044 0.000) 6.936 1.676 ( 0.802 -2.521 0.000) 2.645 1.727 ( 4.762 0.171 0.000) 4.766 1.871 ( 5.596 -0.596 0.000) 5.627 1.886 ( 0.776 0.044 0.000) 0.777 1.965 ( 4.054 -0.651 0.000) 4.106 2.025 ( 2.276 -0.435 0.000) 2.318 2.283 ( -0.263 -0.055 0.000) 0.268 2.936 ( 6.325 -0.076 0.000) 6.325 3.084 ( 5.243 -0.005 0.000) 5.243 3.256 ( -4.870 -0.028 0.000) 4.870 3.409 ( 3.453 0.134 0.000) 3.456 3.660 ( -10.620 -0.255 0.000) 10.623 3.701 ( 4.716 0.046 0.000) 4.716 4.009 ( 1.535 -0.046 0.000) 1.536 4.147 ( 5.535 0.050 0.000) 5.536 4.245 ( 2.390 -0.023 0.000) 2.390 4.268 ( -2.649 0.022 0.000) 2.649 4.305 ( 3.520 -0.040 0.000) 3.521 4.525 ( 6.166 -0.011 0.000) 6.166 4.630 ( -2.691 -0.018 0.000) 2.691 4.731 ( -3.556 0.015 0.000) 3.556 4.756 ( -2.724 -0.063 0.000) 2.725 5.063 ( -2.387 0.116 0.000) 2.390 5.086 ( 3.731 -0.044 0.000) 3.731 5.320 ( -5.480 -0.011 0.000) 5.480 5.639 ( -1.964 -0.092 0.000) 1.966 5.781 ( -2.258 0.647 0.000) 2.349 6.090 ( 1.389 0.201 0.000) 1.404 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -3.973 1.556 0.000) 4.266 1.020 ( -1.664 0.400 0.000) 1.712 1.069 ( 1.683 -0.420 0.000) 1.734 1.115 ( -2.845 0.414 0.000) 2.875 1.236 ( -5.498 -1.951 0.000) 5.834 1.479 ( -3.394 -0.844 0.000) 3.498 1.530 ( 0.744 0.051 0.000) 0.746 1.722 ( 2.400 0.142 0.000) 2.404 1.725 ( -0.304 -0.021 0.000) 0.305 1.816 ( 4.352 1.629 0.000) 4.647 1.888 ( -0.010 -0.001 0.000) 0.010 1.954 ( 2.043 0.758 0.000) 2.179 2.017 ( 0.670 0.099 0.000) 0.677 2.051 ( 0.976 -1.630 0.000) 1.900 2.282 ( 0.198 0.001 0.000) 0.198 3.001 ( 0.521 0.145 0.000) 0.541 3.131 ( 0.059 -0.000 0.000) 0.059 3.203 ( 0.086 -0.002 0.000) 0.086 3.470 ( -3.870 -0.327 0.000) 3.884 3.526 ( 4.222 0.232 0.000) 4.228 3.753 ( -0.197 0.001 0.000) 0.197 4.026 ( 0.166 -0.001 0.000) 0.166 4.206 ( -0.179 0.002 0.000) 0.179 4.242 ( -0.081 0.002 0.000) 0.081 4.277 ( 0.070 0.020 0.000) 0.073 4.353 ( 0.169 -0.002 0.000) 0.170 4.599 ( 0.045 0.002 0.000) 0.045 4.646 ( -1.342 -0.026 0.000) 1.342 4.673 ( 1.733 0.002 0.000) 1.733 4.684 ( -0.072 0.000 0.000) 0.072 5.037 ( -0.323 0.010 0.000) 0.323 5.141 ( -0.018 -0.004 0.000) 0.019 5.250 ( 0.110 0.000 0.000) 0.110 5.623 ( 0.331 0.000 0.000) 0.331 5.732 ( -2.293 0.009 0.000) 2.293 6.095 ( -0.730 0.000 0.000) 0.730 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.663 -1.785 0.000) 1.904 0.998 ( -0.658 -0.472 0.000) 0.810 1.044 ( -4.841 -2.119 0.000) 5.285 1.112 ( 2.372 0.479 0.000) 2.420 1.156 ( -3.540 -4.124 0.000) 5.435 1.408 ( -4.543 -2.317 0.000) 5.100 1.551 ( 1.421 0.624 0.000) 1.552 1.643 ( -7.221 -0.240 0.000) 7.225 1.743 ( -0.575 0.811 0.000) 0.994 1.863 ( 1.043 2.816 0.000) 3.003 1.880 ( -1.392 -0.134 0.000) 1.398 1.959 ( 0.470 1.444 0.000) 1.518 2.004 ( -1.403 1.704 0.000) 2.207 2.069 ( -0.657 -0.218 0.000) 0.692 2.290 ( 0.602 0.162 0.000) 0.623 2.953 ( -5.559 0.521 0.000) 5.583 3.085 ( -5.373 0.015 0.000) 5.373 3.259 ( 5.042 0.069 0.000) 5.043 3.390 ( -2.798 -0.456 0.000) 2.835 3.691 ( 10.313 0.608 0.000) 10.331 3.695 ( -4.825 -0.120 0.000) 4.826 4.015 ( -1.314 0.119 0.000) 1.320 4.141 ( -5.708 -0.109 0.000) 5.709 4.249 ( -2.162 0.079 0.000) 2.163 4.266 ( 2.597 -0.044 0.000) 2.598 4.310 ( -3.400 0.095 0.000) 3.401 4.525 ( -6.024 -0.006 0.000) 6.024 4.631 ( 2.717 0.015 0.000) 2.717 4.729 ( 3.506 -0.040 0.000) 3.506 4.764 ( 2.509 0.171 0.000) 2.515 5.055 ( 2.187 -0.085 0.000) 2.188 5.085 ( -3.730 -0.130 0.000) 3.733 5.327 ( 6.013 0.267 0.000) 6.019 5.652 ( 2.628 0.287 0.000) 2.644 5.692 ( -2.315 -1.971 0.000) 3.040 6.063 ( -2.658 -0.584 0.000) 2.721 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -4.949 -3.342 0.000) 5.972 0.982 ( -0.611 -5.883 0.000) 5.914 0.991 ( -0.496 -0.101 0.000) 0.506 1.145 ( -0.186 -4.654 0.000) 4.658 1.151 ( 1.613 0.187 0.000) 1.624 1.332 ( -4.370 -3.717 0.000) 5.737 1.458 ( -10.605 -0.458 0.000) 10.615 1.585 ( 1.774 0.963 0.000) 2.019 1.681 ( -5.086 -0.031 0.000) 5.086 1.830 ( -3.555 -0.429 0.000) 3.581 1.843 ( -0.937 3.672 0.000) 3.790 1.931 ( -3.869 1.539 0.000) 4.164 1.974 ( 0.491 3.991 0.000) 4.021 2.008 ( -4.769 1.936 0.000) 5.147 2.303 ( 0.811 0.293 0.000) 0.863 2.757 ( -14.225 0.691 0.000) 14.241 2.883 ( -15.481 -0.186 0.000) 15.482 3.359 ( -0.738 -0.110 0.000) 0.747 3.366 ( 4.810 0.153 0.000) 4.812 3.616 ( -2.265 -0.053 0.000) 2.265 3.861 ( 4.779 0.718 0.000) 4.833 3.975 ( -2.500 0.153 0.000) 2.505 4.028 ( -4.618 -0.137 0.000) 4.620 4.243 ( 3.162 0.188 0.000) 3.167 4.249 ( -2.493 0.116 0.000) 2.496 4.352 ( 6.081 -0.000 0.000) 6.081 4.423 ( -4.317 -0.030 0.000) 4.317 4.694 ( 3.865 -0.039 0.000) 3.866 4.758 ( -2.668 0.015 0.000) 2.668 4.786 ( 1.677 -0.081 0.000) 1.679 5.014 ( -2.907 -0.106 0.000) 2.909 5.127 ( 4.286 -0.162 0.000) 4.289 5.458 ( 6.913 1.096 0.000) 6.999 5.656 ( -2.942 -5.373 0.000) 6.125 5.724 ( 4.896 0.778 0.000) 4.958 5.995 ( -4.693 -1.339 0.000) 4.880 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -8.759 -1.218 0.000) 8.843 0.948 ( -4.593 2.942 0.000) 5.454 1.025 ( -0.181 -4.449 0.000) 4.452 1.168 ( -0.588 -1.858 0.000) 1.948 1.185 ( 1.141 -4.958 0.000) 5.087 1.257 ( -8.709 -2.704 0.000) 9.119 1.286 ( -2.761 -5.360 0.000) 6.029 1.567 ( -5.840 -0.021 0.000) 5.840 1.612 ( 1.467 1.586 0.000) 2.160 1.754 ( -6.825 3.236 0.000) 7.553 1.761 ( -3.127 -0.341 0.000) 3.146 1.837 ( -9.204 3.788 0.000) 9.953 1.860 ( -1.197 3.012 0.000) 3.242 1.975 ( 0.216 2.067 0.000) 2.078 2.318 ( 0.793 0.230 0.000) 0.825 2.395 ( -21.304 0.122 0.000) 21.304 2.501 ( -21.997 -0.580 0.000) 22.005 3.353 ( 0.094 0.366 0.000) 0.377 3.421 ( 0.592 0.209 0.000) 0.628 3.608 ( 1.057 0.182 0.000) 1.073 3.844 ( -4.603 1.181 0.000) 4.752 3.923 ( -2.527 -0.175 0.000) 2.533 3.983 ( 0.030 0.134 0.000) 0.138 4.205 ( -2.244 0.012 0.000) 2.244 4.331 ( 2.720 0.449 0.000) 2.757 4.353 ( -2.828 -0.167 0.000) 2.832 4.495 ( 7.873 0.207 0.000) 7.876 4.671 ( -5.709 0.110 0.000) 5.710 4.787 ( -1.670 -0.204 0.000) 1.683 4.820 ( 9.278 -0.739 0.000) 9.308 4.973 ( -1.342 -0.150 0.000) 1.350 5.214 ( 4.189 -0.113 0.000) 4.191 5.488 ( -6.614 -6.046 0.000) 8.961 5.723 ( 8.880 -2.115 0.000) 9.128 5.826 ( 4.440 1.090 0.000) 4.572 5.907 ( -3.272 -1.570 0.000) 3.629 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -8.042 3.972 0.000) 8.970 0.744 ( -12.812 5.223 0.000) 13.836 1.007 ( -2.420 0.369 0.000) 2.448 1.130 ( -3.725 -3.458 0.000) 5.083 1.167 ( -7.092 -1.380 0.000) 7.225 1.203 ( -0.291 -4.507 0.000) 4.516 1.265 ( -1.952 -0.884 0.000) 2.143 1.472 ( -3.830 -1.470 0.000) 4.103 1.576 ( -7.973 2.675 0.000) 8.410 1.619 ( 0.047 1.467 0.000) 1.468 1.642 ( -7.821 1.432 0.000) 7.951 1.721 ( -1.300 0.591 0.000) 1.428 1.835 ( -1.404 0.975 0.000) 1.710 1.948 ( -13.650 -2.496 0.000) 13.876 2.010 ( -3.451 1.137 0.000) 3.634 2.064 ( -20.763 -0.999 0.000) 20.787 2.336 ( 0.770 0.004 0.000) 0.770 3.352 ( -0.181 0.795 0.000) 0.815 3.394 ( -2.659 0.235 0.000) 2.670 3.642 ( 2.354 0.327 0.000) 2.376 3.716 ( -6.805 1.196 0.000) 6.909 3.884 ( -1.632 -0.812 0.000) 1.823 4.015 ( 2.922 0.547 0.000) 2.973 4.143 ( -4.428 -0.090 0.000) 4.429 4.301 ( -2.534 -0.380 0.000) 2.562 4.320 ( -2.860 0.605 0.000) 2.924 4.544 ( -6.528 0.325 0.000) 6.537 4.638 ( 6.286 0.334 0.000) 6.295 4.732 ( -3.524 -0.459 0.000) 3.554 4.958 ( -0.315 0.011 0.000) 0.315 5.033 ( 8.750 -2.416 0.000) 9.077 5.284 ( 0.423 -2.433 0.000) 2.470 5.322 ( -12.737 -13.386 0.000) 18.478 5.790 ( -4.047 -1.744 0.000) 4.407 5.958 ( 13.793 1.824 0.000) 13.913 5.984 ( 6.784 1.820 0.000) 7.024 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -3.870 11.668 0.000) 12.294 0.440 ( -13.815 6.195 0.000) 15.140 0.816 ( -16.113 11.435 0.000) 19.758 1.034 ( -1.116 2.072 0.000) 2.353 1.077 ( -2.802 -2.050 0.000) 3.472 1.173 ( -5.803 3.989 0.000) 7.042 1.248 ( 1.922 -5.798 0.000) 6.108 1.408 ( -5.462 -3.008 0.000) 6.236 1.473 ( -1.849 -1.080 0.000) 2.141 1.533 ( -3.057 -1.495 0.000) 3.403 1.568 ( -8.736 0.716 0.000) 8.765 1.631 ( -9.593 -1.435 0.000) 9.700 1.643 ( -3.136 0.199 0.000) 3.143 1.814 ( -3.016 0.072 0.000) 3.016 1.870 ( 0.694 -2.553 0.000) 2.646 2.103 ( 10.116 1.083 0.000) 10.174 2.350 ( 0.514 -0.162 0.000) 0.539 3.331 ( -1.511 0.698 0.000) 1.665 3.336 ( -2.579 0.139 0.000) 2.583 3.596 ( -4.088 0.457 0.000) 4.113 3.696 ( 3.221 0.226 0.000) 3.229 3.867 ( -0.695 -1.309 0.000) 1.482 4.027 ( -6.768 0.020 0.000) 6.768 4.079 ( 3.649 0.852 0.000) 3.747 4.238 ( -3.648 -0.486 0.000) 3.680 4.258 ( -3.216 -0.080 0.000) 3.217 4.432 ( -4.358 -0.208 0.000) 4.363 4.674 ( -1.969 -0.721 0.000) 2.097 4.733 ( 3.183 0.335 0.000) 3.201 4.832 ( -37.708 -23.331 0.000) 44.342 4.960 ( -0.946 -1.060 0.000) 1.421 5.277 ( 4.625 -5.024 0.000) 6.829 5.341 ( 1.812 -0.030 0.000) 1.812 5.739 ( -1.974 -1.781 0.000) 2.658 6.089 ( 4.488 2.494 0.000) 5.134 6.224 ( 13.890 3.535 0.000) 14.332 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 0.000 9.638 0.000) 9.638 0.321 ( 0.000 14.363 0.000) 14.363 0.480 ( 0.000 21.773 0.000) 21.773 1.033 ( 0.000 4.329 0.000) 4.329 1.055 ( -0.000 -1.260 0.000) 1.260 1.064 ( 0.000 2.152 0.000) 2.152 1.321 ( -0.000 -5.928 0.000) 5.928 1.338 ( -0.000 -1.662 0.000) 1.662 1.420 ( 0.000 0.200 0.000) 0.200 1.463 ( -0.000 -1.800 0.000) 1.800 1.527 ( -0.000 -0.668 0.000) 0.668 1.562 ( -0.000 -2.673 0.000) 2.673 1.629 ( -0.000 -0.205 0.000) 0.205 1.797 ( 0.000 1.224 0.000) 1.224 1.896 ( -0.000 -2.919 0.000) 2.919 2.356 ( -0.000 -0.203 0.000) 0.203 2.417 ( -0.000 -6.295 0.000) 6.295 3.299 ( -0.000 -0.147 0.000) 0.147 3.308 ( 0.000 0.058 0.000) 0.058 3.558 ( 0.000 0.038 0.000) 0.038 3.743 ( -0.000 -0.032 0.000) 0.032 3.867 ( -0.000 -1.339 0.000) 1.339 3.935 ( 0.000 0.252 0.000) 0.252 3.956 ( 0.000 0.288 0.000) 0.288 4.129 ( 0.000 1.252 0.000) 1.252 4.210 ( 0.000 0.197 0.000) 0.197 4.222 ( 0.000 0.248 0.000) 0.248 4.409 ( 0.000 0.647 0.000) 0.647 4.659 ( -0.000 -0.756 0.000) 0.756 4.763 ( 0.000 0.307 0.000) 0.307 4.958 ( 0.000 0.003 0.000) 0.003 5.345 ( -0.000 -1.965 0.000) 1.965 5.366 ( -0.000 -1.597 0.000) 1.597 5.729 ( -0.000 -1.650 0.000) 1.650 6.122 ( 0.000 2.531 0.000) 2.531 6.400 ( -0.000 -0.192 0.000) 0.192 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -4.608 0.000 0.000) 4.608 1.023 ( -2.144 0.000 0.000) 2.144 1.067 ( 2.166 -0.000 0.000) 2.166 1.117 ( -3.308 0.000 0.000) 3.308 1.225 ( -6.138 0.000 0.000) 6.138 1.474 ( -3.920 0.000 0.000) 3.920 1.530 ( 0.860 -0.000 0.000) 0.860 1.724 ( 3.080 -0.000 0.000) 3.080 1.725 ( -0.352 0.000 0.000) 0.352 1.824 ( 4.367 -0.000 0.000) 4.367 1.888 ( -0.011 0.000 0.000) 0.011 1.960 ( 2.493 -0.000 0.000) 2.493 2.019 ( 1.649 -0.000 0.000) 1.649 2.039 ( 0.311 -0.000 0.000) 0.311 2.282 ( 0.229 -0.000 0.000) 0.229 3.002 ( 0.604 -0.000 0.000) 0.604 3.131 ( 0.068 -0.000 0.000) 0.068 3.203 ( 0.100 -0.000 0.000) 0.100 3.468 ( -4.224 0.000 0.000) 4.224 3.527 ( 4.629 -0.000 0.000) 4.629 3.753 ( -0.227 0.000 0.000) 0.227 4.026 ( 0.191 -0.000 0.000) 0.191 4.206 ( -0.207 0.000 0.000) 0.207 4.242 ( -0.093 0.000 0.000) 0.093 4.277 ( 0.081 -0.000 0.000) 0.081 4.353 ( 0.196 -0.000 0.000) 0.196 4.599 ( 0.054 -0.000 0.000) 0.054 4.646 ( -1.544 0.000 0.000) 1.544 4.673 ( 1.995 -0.000 0.000) 1.995 4.684 ( -0.083 0.000 0.000) 0.083 5.037 ( -0.373 0.000 0.000) 0.373 5.141 ( -0.020 0.000 0.000) 0.020 5.250 ( 0.127 -0.000 0.000) 0.127 5.623 ( 0.382 -0.000 0.000) 0.382 5.732 ( -2.648 0.000 0.000) 2.648 6.095 ( -0.842 0.000 0.000) 0.842 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.001 -0.476 0.000) 2.057 0.994 ( -0.768 -0.160 0.000) 0.784 1.028 ( -5.852 -0.838 0.000) 5.911 1.115 ( 2.491 0.163 0.000) 2.496 1.126 ( -3.461 -1.503 0.000) 3.773 1.390 ( -4.663 -0.880 0.000) 4.746 1.556 ( 1.671 0.241 0.000) 1.688 1.641 ( -7.360 -0.100 0.000) 7.361 1.748 ( -1.122 0.272 0.000) 1.155 1.879 ( -1.488 -0.050 0.000) 1.488 1.885 ( 1.693 1.202 0.000) 2.077 1.963 ( -0.638 -0.124 0.000) 0.650 2.027 ( -0.142 2.029 0.000) 2.034 2.061 ( 0.239 -1.071 0.000) 1.098 2.291 ( 0.656 0.060 0.000) 0.659 2.957 ( -5.468 0.210 0.000) 5.472 3.085 ( -5.393 0.006 0.000) 5.393 3.260 ( 5.069 0.025 0.000) 5.069 3.386 ( -2.672 -0.173 0.000) 2.678 3.694 ( -4.841 -0.043 0.000) 4.842 3.696 ( 10.276 0.217 0.000) 10.278 4.016 ( -1.281 0.043 0.000) 1.282 4.141 ( -5.739 -0.039 0.000) 5.739 4.249 ( -2.127 0.030 0.000) 2.127 4.265 ( 2.598 -0.015 0.000) 2.598 4.310 ( -3.389 0.034 0.000) 3.389 4.525 ( -6.007 -0.004 0.000) 6.007 4.631 ( 2.725 0.003 0.000) 2.725 4.729 ( 3.498 -0.015 0.000) 3.498 4.765 ( 2.463 0.062 0.000) 2.464 5.054 ( 2.351 -0.021 0.000) 2.351 5.084 ( -3.928 -0.059 0.000) 3.928 5.329 ( 6.233 0.118 0.000) 6.234 5.654 ( 2.748 0.107 0.000) 2.751 5.678 ( -3.163 -0.739 0.000) 3.249 6.059 ( -2.872 -0.216 0.000) 2.880 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -2.840 -0.857 0.000) 2.966 0.927 ( -2.946 -4.415 0.000) 5.308 0.991 ( 0.123 -0.062 0.000) 0.137 1.107 ( 0.159 -2.570 0.000) 2.575 1.152 ( 1.105 0.104 0.000) 1.110 1.303 ( -4.768 -1.910 0.000) 5.136 1.454 ( -11.099 -0.220 0.000) 11.102 1.593 ( 2.063 0.523 0.000) 2.128 1.681 ( -5.128 -0.074 0.000) 5.128 1.826 ( -3.619 -0.254 0.000) 3.628 1.874 ( -1.688 2.190 0.000) 2.765 1.942 ( -2.266 0.544 0.000) 2.330 2.007 ( -0.389 2.231 0.000) 2.265 2.024 ( -4.230 0.995 0.000) 4.345 2.306 ( 0.812 0.171 0.000) 0.829 2.764 ( -14.307 0.436 0.000) 14.314 2.881 ( -15.616 -0.108 0.000) 15.616 3.358 ( -0.540 -0.063 0.000) 0.544 3.367 ( 4.827 0.087 0.000) 4.828 3.615 ( -2.175 -0.030 0.000) 2.175 3.868 ( 4.895 0.427 0.000) 4.914 3.976 ( -2.557 0.088 0.000) 2.559 4.027 ( -4.562 -0.080 0.000) 4.563 4.245 ( 3.188 0.117 0.000) 3.190 4.250 ( -2.525 0.068 0.000) 2.526 4.352 ( 6.149 -0.001 0.000) 6.149 4.423 ( -4.355 -0.020 0.000) 4.355 4.694 ( 3.781 -0.023 0.000) 3.781 4.758 ( -2.755 -0.019 0.000) 2.756 4.785 ( 1.653 -0.047 0.000) 1.654 5.013 ( -2.942 -0.058 0.000) 2.943 5.126 ( 4.324 -0.107 0.000) 4.325 5.472 ( 7.860 1.410 0.000) 7.986 5.606 ( -4.938 -3.875 0.000) 6.277 5.731 ( 5.147 0.491 0.000) 5.171 5.983 ( -4.968 -0.815 0.000) 5.034 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -5.625 2.383 0.000) 6.109 0.967 ( 1.333 -6.396 0.000) 6.533 0.979 ( -1.990 2.735 0.000) 3.382 1.143 ( 1.427 -2.789 0.000) 3.133 1.149 ( -2.310 -1.667 0.000) 2.849 1.230 ( -10.250 -2.241 0.000) 10.493 1.235 ( -3.142 -4.085 0.000) 5.154 1.568 ( -5.717 0.180 0.000) 5.719 1.628 ( 1.808 1.338 0.000) 2.249 1.757 ( -3.101 -0.446 0.000) 3.133 1.783 ( -6.498 2.221 0.000) 6.867 1.870 ( -7.545 2.063 0.000) 7.822 1.893 ( -3.555 3.173 0.000) 4.765 1.990 ( -0.918 0.652 0.000) 1.126 2.321 ( 0.747 0.191 0.000) 0.771 2.397 ( -21.705 0.195 0.000) 21.706 2.496 ( -22.207 -0.443 0.000) 22.212 3.357 ( 0.295 0.256 0.000) 0.391 3.423 ( 0.610 0.150 0.000) 0.628 3.610 ( 1.157 0.133 0.000) 1.164 3.855 ( -4.421 0.927 0.000) 4.518 3.921 ( -2.775 -0.127 0.000) 2.778 3.984 ( 0.223 0.117 0.000) 0.252 4.205 ( -2.307 0.010 0.000) 2.307 4.336 ( 2.984 0.505 0.000) 3.027 4.351 ( -2.855 -0.141 0.000) 2.858 4.497 ( 7.963 0.150 0.000) 7.964 4.671 ( -5.642 0.013 0.000) 5.642 4.785 ( -1.758 -0.153 0.000) 1.765 4.813 ( 8.772 -0.613 0.000) 8.793 4.971 ( -1.336 -0.104 0.000) 1.340 5.213 ( 4.158 -0.145 0.000) 4.160 5.429 ( -11.195 -4.828 0.000) 12.191 5.706 ( 11.497 -1.120 0.000) 11.552 5.839 ( 3.496 1.349 0.000) 3.747 5.890 ( -2.153 -1.697 0.000) 2.741 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.235 8.234 0.000) 8.847 0.803 ( -12.521 5.804 0.000) 13.801 1.002 ( -0.328 -1.826 0.000) 1.855 1.092 ( -2.922 -3.636 0.000) 4.665 1.142 ( -3.769 -2.802 0.000) 4.696 1.153 ( -1.685 -4.668 0.000) 4.962 1.241 ( 0.433 -3.502 0.000) 3.528 1.468 ( -4.160 0.453 0.000) 4.185 1.610 ( -9.024 3.261 0.000) 9.595 1.639 ( 0.117 2.185 0.000) 2.188 1.661 ( -9.602 2.336 0.000) 9.882 1.722 ( -0.978 -0.359 0.000) 1.042 1.843 ( -2.325 0.468 0.000) 2.372 1.923 ( -15.342 -2.161 0.000) 15.493 2.018 ( -4.083 0.345 0.000) 4.098 2.054 ( -21.061 -0.862 0.000) 21.079 2.336 ( 0.676 -0.020 0.000) 0.676 3.359 ( -0.082 0.600 0.000) 0.606 3.397 ( -2.675 0.201 0.000) 2.683 3.645 ( 2.378 0.287 0.000) 2.395 3.728 ( -7.043 1.120 0.000) 7.131 3.875 ( -1.964 -0.706 0.000) 2.087 4.020 ( 3.115 0.487 0.000) 3.153 4.142 ( -4.439 -0.073 0.000) 4.439 4.297 ( -2.647 -0.298 0.000) 2.664 4.328 ( -2.916 0.836 0.000) 3.033 4.547 ( -6.477 0.227 0.000) 6.481 4.641 ( 6.313 0.298 0.000) 6.320 4.727 ( -3.689 -0.427 0.000) 3.713 4.956 ( -0.301 -0.242 0.000) 0.386 5.011 ( 6.080 -1.738 0.000) 6.323 5.164 ( -17.085 -12.290 0.000) 21.046 5.292 ( 2.991 -0.156 0.000) 2.995 5.774 ( -4.174 -1.276 0.000) 4.365 5.972 ( 14.707 0.904 0.000) 14.734 6.001 ( 7.274 1.354 0.000) 7.399 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -12.787 6.275 0.000) 14.244 0.547 ( -0.880 13.434 0.000) 13.463 0.918 ( -9.666 7.296 0.000) 12.111 1.054 ( -2.317 -2.222 0.000) 3.210 1.063 ( -0.210 3.284 0.000) 3.291 1.183 ( 1.442 -6.383 0.000) 6.544 1.210 ( -4.476 2.733 0.000) 5.244 1.378 ( -5.746 -2.258 0.000) 6.174 1.466 ( -3.274 -0.175 0.000) 3.279 1.513 ( -4.530 -2.253 0.000) 5.059 1.576 ( -10.209 0.695 0.000) 10.233 1.617 ( -9.407 -1.159 0.000) 9.478 1.651 ( -2.473 1.183 0.000) 2.742 1.810 ( -2.254 -0.826 0.000) 2.401 1.843 ( -0.014 -2.508 0.000) 2.508 2.100 ( 9.385 -1.571 0.000) 9.516 2.348 ( 0.451 -0.164 0.000) 0.480 3.337 ( -1.993 0.422 0.000) 2.037 3.338 ( -2.644 0.140 0.000) 2.647 3.601 ( -4.487 0.401 0.000) 4.505 3.699 ( 3.106 0.247 0.000) 3.116 3.852 ( -0.908 -1.321 0.000) 1.603 4.027 ( -6.630 0.027 0.000) 6.630 4.088 ( 3.686 0.753 0.000) 3.762 4.230 ( -4.839 -0.985 0.000) 4.938 4.258 ( -3.360 0.128 0.000) 3.362 4.427 ( -6.627 -0.871 0.000) 6.684 4.638 ( -33.889 -13.190 0.000) 36.365 4.666 ( -2.111 -0.703 0.000) 2.225 4.737 ( 3.190 0.283 0.000) 3.202 4.956 ( 0.026 -0.250 0.000) 0.251 5.229 ( 5.740 -4.179 0.000) 7.100 5.342 ( 1.814 0.049 0.000) 1.815 5.722 ( -1.906 -1.519 0.000) 2.437 6.115 ( 4.706 2.251 0.000) 5.217 6.249 ( 12.879 1.497 0.000) 12.966 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 8.508 0.000) 8.508 0.464 ( 0.000 12.563 0.000) 12.563 0.698 ( 0.000 19.523 0.000) 19.523 1.039 ( -0.000 -1.759 0.000) 1.759 1.086 ( 0.000 5.538 0.000) 5.538 1.091 ( 0.000 2.928 0.000) 2.928 1.251 ( -0.000 -7.099 0.000) 7.099 1.316 ( -0.000 -2.526 0.000) 2.526 1.422 ( 0.000 0.230 0.000) 0.230 1.440 ( -0.000 -2.479 0.000) 2.479 1.520 ( -0.000 -0.618 0.000) 0.618 1.527 ( -0.000 -3.750 0.000) 3.750 1.634 ( 0.000 1.070 0.000) 1.070 1.805 ( 0.000 0.124 0.000) 0.124 1.863 ( -0.000 -3.244 0.000) 3.244 2.339 ( -0.000 -8.238 0.000) 8.238 2.354 ( -0.000 -0.229 0.000) 0.229 3.298 ( -0.000 -0.167 0.000) 0.167 3.308 ( 0.000 0.068 0.000) 0.068 3.558 ( 0.000 0.025 0.000) 0.025 3.743 ( 0.000 0.005 0.000) 0.005 3.852 ( -0.000 -1.567 0.000) 1.567 3.938 ( 0.000 0.290 0.000) 0.290 3.959 ( 0.000 0.331 0.000) 0.331 4.144 ( 0.000 1.560 0.000) 1.560 4.213 ( 0.000 0.231 0.000) 0.231 4.225 ( 0.000 0.281 0.000) 0.281 4.417 ( 0.000 0.802 0.000) 0.802 4.650 ( -0.000 -0.864 0.000) 0.864 4.767 ( 0.000 0.308 0.000) 0.308 4.958 ( -0.000 -0.130 0.000) 0.130 5.309 ( -0.000 -4.092 0.000) 4.092 5.360 ( -0.000 -0.091 0.000) 0.091 5.712 ( -0.000 -1.622 0.000) 1.622 6.150 ( 0.000 2.658 0.000) 2.658 6.397 ( -0.000 -0.211 0.000) 0.211 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.216 -0.000 0.000) 0.216 0.899 ( -6.110 0.000 0.000) 6.110 0.990 ( 0.349 -0.000 0.000) 0.349 1.093 ( 0.299 -0.000 0.000) 0.299 1.153 ( 0.916 -0.000 0.000) 0.916 1.293 ( -4.886 0.000 0.000) 4.886 1.453 ( -11.277 0.000 0.000) 11.277 1.595 ( 2.174 -0.000 0.000) 2.174 1.680 ( -5.120 0.000 0.000) 5.120 1.825 ( -3.646 0.000 0.000) 3.646 1.886 ( -2.208 0.000 0.000) 2.208 1.944 ( -1.420 0.000 0.000) 1.420 2.019 ( -1.117 0.000 0.000) 1.117 2.029 ( -3.668 0.000 0.000) 3.668 2.307 ( 0.812 -0.000 0.000) 0.812 2.766 ( -14.337 0.000 0.000) 14.337 2.880 ( -15.666 0.000 0.000) 15.666 3.358 ( -0.466 0.000 0.000) 0.466 3.368 ( 4.833 -0.000 0.000) 4.833 3.615 ( -2.142 0.000 0.000) 2.142 3.870 ( 4.946 -0.000 0.000) 4.946 3.977 ( -2.578 0.000 0.000) 2.578 4.026 ( -4.541 0.000 0.000) 4.541 4.245 ( 3.202 -0.000 0.000) 3.202 4.250 ( -2.536 0.000 0.000) 2.536 4.352 ( 6.174 -0.000 0.000) 6.174 4.423 ( -4.368 0.000 0.000) 4.368 4.694 ( 3.752 -0.000 0.000) 3.752 4.758 ( -2.797 0.000 0.000) 2.797 4.785 ( 1.645 -0.000 0.000) 1.645 5.013 ( -2.958 0.000 0.000) 2.958 5.125 ( 4.337 -0.000 0.000) 4.337 5.482 ( 9.189 -0.000 0.000) 9.189 5.583 ( -6.651 0.000 0.000) 6.651 5.734 ( 5.256 -0.000 0.000) 5.256 5.979 ( -5.085 0.000 0.000) 5.085 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -2.923 3.797 0.000) 4.792 0.900 ( 1.356 -5.285 0.000) 5.456 1.001 ( 0.549 1.260 0.000) 1.375 1.126 ( 2.293 -0.735 0.000) 2.408 1.135 ( -4.125 -0.804 0.000) 4.202 1.204 ( -4.142 -1.574 0.000) 4.431 1.213 ( -11.378 -0.883 0.000) 11.412 1.570 ( -5.554 0.084 0.000) 5.554 1.638 ( 2.191 0.545 0.000) 2.257 1.753 ( -3.258 -0.223 0.000) 3.265 1.799 ( -6.239 0.799 0.000) 6.290 1.883 ( -6.309 0.557 0.000) 6.333 1.920 ( -5.056 1.576 0.000) 5.296 1.991 ( -1.629 -0.100 0.000) 1.633 2.322 ( 0.746 0.075 0.000) 0.750 2.398 ( -21.907 0.094 0.000) 21.907 2.493 ( -22.352 -0.167 0.000) 22.353 3.359 ( 0.402 0.091 0.000) 0.412 3.424 ( 0.621 0.054 0.000) 0.623 3.611 ( 1.214 0.049 0.000) 1.215 3.862 ( -4.310 0.354 0.000) 4.324 3.920 ( -2.918 -0.046 0.000) 2.918 3.985 ( 0.337 0.046 0.000) 0.340 4.205 ( -2.344 0.004 0.000) 2.344 4.341 ( 3.392 0.254 0.000) 3.402 4.350 ( -3.040 -0.076 0.000) 3.041 4.498 ( 8.015 0.055 0.000) 8.015 4.671 ( -5.622 -0.018 0.000) 5.622 4.784 ( -1.811 -0.057 0.000) 1.812 4.808 ( 8.453 -0.243 0.000) 8.456 4.970 ( -1.324 -0.037 0.000) 1.325 5.211 ( 4.087 -0.073 0.000) 4.088 5.393 ( -13.399 -1.818 0.000) 13.522 5.699 ( 12.624 -0.348 0.000) 12.629 5.854 ( 3.307 1.500 0.000) 3.631 5.872 ( -1.860 -1.627 0.000) 2.471 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.539 9.890 0.000) 9.905 0.861 ( -13.342 4.981 0.000) 14.241 0.958 ( 0.690 -6.440 0.000) 6.477 1.053 ( -0.842 -3.613 0.000) 3.710 1.111 ( -3.226 -2.851 0.000) 4.306 1.125 ( -2.186 0.014 0.000) 2.186 1.200 ( 1.533 -3.771 0.000) 4.071 1.475 ( -3.666 0.671 0.000) 3.727 1.637 ( -9.392 1.790 0.000) 9.562 1.663 ( 0.451 2.214 0.000) 2.260 1.687 ( -10.727 2.124 0.000) 10.936 1.714 ( -0.977 -1.159 0.000) 1.516 1.846 ( -2.972 0.208 0.000) 2.980 1.904 ( -15.884 -1.271 0.000) 15.935 2.018 ( -5.271 -0.143 0.000) 5.272 2.047 ( -21.350 -0.494 0.000) 21.356 2.336 ( 0.622 -0.021 0.000) 0.622 3.364 ( -0.041 0.313 0.000) 0.316 3.398 ( -2.686 0.115 0.000) 2.688 3.648 ( 2.400 0.168 0.000) 2.406 3.738 ( -7.237 0.690 0.000) 7.270 3.869 ( -2.210 -0.409 0.000) 2.247 4.024 ( 3.228 0.273 0.000) 3.240 4.142 ( -4.445 -0.040 0.000) 4.445 4.295 ( -2.737 -0.155 0.000) 2.741 4.336 ( -2.950 0.705 0.000) 3.033 4.548 ( -6.442 0.060 0.000) 6.442 4.644 ( 6.355 0.178 0.000) 6.357 4.723 ( -3.836 -0.260 0.000) 3.845 4.953 ( -0.090 -0.328 0.000) 0.340 4.999 ( 1.687 -0.269 0.000) 1.708 5.059 ( -15.387 -7.362 0.000) 17.057 5.291 ( 3.210 -0.047 0.000) 3.211 5.764 ( -4.274 -0.667 0.000) 4.326 5.979 ( 15.159 0.373 0.000) 15.163 6.012 ( 7.643 0.718 0.000) 7.676 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -12.420 4.888 0.000) 13.347 0.684 ( -1.473 12.194 0.000) 12.282 0.963 ( -2.159 1.247 0.000) 2.493 1.034 ( -2.041 -1.423 0.000) 2.488 1.100 ( 1.169 3.583 0.000) 3.769 1.119 ( 1.293 -5.519 0.000) 5.669 1.222 ( -1.527 -0.613 0.000) 1.646 1.371 ( -8.035 1.159 0.000) 8.118 1.466 ( -4.220 -0.394 0.000) 4.238 1.490 ( -7.142 -1.657 0.000) 7.332 1.582 ( -11.654 0.424 0.000) 11.662 1.608 ( -9.298 -0.625 0.000) 9.319 1.667 ( -1.343 1.753 0.000) 2.208 1.798 ( -1.950 -1.394 0.000) 2.397 1.820 ( -0.505 -1.761 0.000) 1.832 2.076 ( 7.299 -2.609 0.000) 7.751 2.347 ( 0.402 -0.122 0.000) 0.420 3.339 ( -2.698 0.102 0.000) 2.700 3.340 ( -2.467 0.165 0.000) 2.473 3.605 ( -4.897 0.257 0.000) 4.903 3.701 ( 3.019 0.198 0.000) 3.025 3.840 ( -1.100 -0.979 0.000) 1.472 4.028 ( -6.512 0.025 0.000) 6.512 4.093 ( 3.391 0.350 0.000) 3.409 4.220 ( -6.506 -0.938 0.000) 6.573 4.260 ( -3.639 0.215 0.000) 3.646 4.412 ( -11.231 -1.690 0.000) 11.357 4.546 ( -22.774 -4.867 0.000) 23.288 4.660 ( -2.245 -0.512 0.000) 2.302 4.739 ( 3.204 0.184 0.000) 3.209 4.953 ( 0.028 -0.306 0.000) 0.307 5.191 ( 5.811 -2.914 0.000) 6.500 5.342 ( 1.839 0.040 0.000) 1.839 5.708 ( -1.859 -0.987 0.000) 2.105 6.135 ( 4.908 1.535 0.000) 5.142 6.260 ( 12.262 0.622 0.000) 12.278 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 6.622 0.000) 6.622 0.582 ( 0.000 9.721 0.000) 9.721 0.885 ( 0.000 15.595 0.000) 15.595 1.020 ( -0.000 -1.757 0.000) 1.757 1.125 ( 0.000 3.344 0.000) 3.344 1.146 ( 0.000 5.759 0.000) 5.759 1.178 ( -0.000 -6.457 0.000) 6.457 1.286 ( -0.000 -3.153 0.000) 3.153 1.412 ( -0.000 -2.624 0.000) 2.624 1.425 ( 0.000 0.199 0.000) 0.199 1.484 ( -0.000 -4.370 0.000) 4.370 1.514 ( -0.000 -0.417 0.000) 0.417 1.650 ( 0.000 1.932 0.000) 1.932 1.800 ( -0.000 -0.946 0.000) 0.946 1.831 ( -0.000 -2.513 0.000) 2.513 2.249 ( -0.000 -8.474 0.000) 8.474 2.352 ( -0.000 -0.193 0.000) 0.193 3.296 ( -0.000 -0.142 0.000) 0.142 3.309 ( 0.000 0.060 0.000) 0.060 3.558 ( 0.000 0.005 0.000) 0.005 3.744 ( 0.000 0.053 0.000) 0.053 3.836 ( -0.000 -1.387 0.000) 1.387 3.941 ( 0.000 0.250 0.000) 0.250 3.962 ( 0.000 0.285 0.000) 0.285 4.160 ( 0.000 1.463 0.000) 1.463 4.215 ( 0.000 0.204 0.000) 0.204 4.228 ( 0.000 0.239 0.000) 0.239 4.425 ( 0.000 0.773 0.000) 0.773 4.642 ( -0.000 -0.748 0.000) 0.748 4.770 ( 0.000 0.236 0.000) 0.236 4.956 ( -0.000 -0.299 0.000) 0.299 5.267 ( -0.000 -3.709 0.000) 3.709 5.360 ( 0.000 0.056 0.000) 0.056 5.696 ( -0.000 -1.220 0.000) 1.220 6.175 ( 0.000 2.134 0.000) 2.134 6.395 ( -0.000 -0.174 0.000) 0.174 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 3.681 -0.000 0.000) 3.681 0.893 ( -15.063 0.000 0.000) 15.063 0.897 ( -0.897 0.000 0.000) 0.897 1.029 ( 1.502 -0.000 0.000) 1.502 1.096 ( -3.966 0.000 0.000) 3.966 1.131 ( -2.023 0.000 0.000) 2.023 1.175 ( 2.198 -0.000 0.000) 2.198 1.479 ( -3.365 0.000 0.000) 3.365 1.646 ( -9.638 0.000 0.000) 9.638 1.678 ( 1.173 -0.000 0.000) 1.173 1.699 ( -10.875 0.000 0.000) 10.875 1.704 ( -1.566 0.000 0.000) 1.566 1.847 ( -3.255 0.000 0.000) 3.255 1.897 ( -15.938 0.000 0.000) 15.938 2.017 ( -5.841 0.000 0.000) 5.841 2.044 ( -21.469 0.000 0.000) 21.469 2.336 ( 0.605 -0.000 0.000) 0.605 3.366 ( -0.033 0.000 0.000) 0.033 3.399 ( -2.689 0.000 0.000) 2.689 3.649 ( 2.409 -0.000 0.000) 2.409 3.742 ( -7.312 0.000 0.000) 7.312 3.867 ( -2.301 0.000 0.000) 2.301 4.026 ( 3.261 -0.000 0.000) 3.261 4.142 ( -4.447 0.000 0.000) 4.447 4.294 ( -2.768 0.000 0.000) 2.768 4.340 ( -2.956 0.000 0.000) 2.956 4.548 ( -6.438 0.000 0.000) 6.438 4.645 ( 6.377 -0.000 0.000) 6.377 4.722 ( -3.898 0.000 0.000) 3.898 4.951 ( 0.077 -0.000 0.000) 0.077 5.008 ( 9.596 -0.000 0.000) 9.596 5.010 ( -24.163 0.000 0.000) 24.163 5.290 ( 3.248 -0.000 0.000) 3.248 5.760 ( -4.310 0.000 0.000) 4.310 5.980 ( 15.295 -0.000 0.000) 15.295 6.015 ( 7.777 -0.000 0.000) 7.777 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -12.480 1.910 0.000) 12.626 0.790 ( -5.890 6.751 0.000) 8.959 0.952 ( 5.806 -2.291 0.000) 6.242 1.027 ( -2.412 -0.027 0.000) 2.412 1.073 ( 1.883 -2.702 0.000) 3.293 1.135 ( 2.640 2.523 0.000) 3.652 1.204 ( 0.032 -1.982 0.000) 1.982 1.397 ( -10.574 2.964 0.000) 10.982 1.444 ( -3.364 -2.829 0.000) 4.395 1.488 ( -9.261 0.483 0.000) 9.273 1.585 ( -12.371 0.134 0.000) 12.372 1.604 ( -9.312 -0.169 0.000) 9.314 1.683 ( -0.573 0.986 0.000) 1.141 1.785 ( -2.001 -0.834 0.000) 2.168 1.807 ( -0.656 -0.595 0.000) 0.886 2.053 ( 5.615 -1.305 0.000) 5.765 2.346 ( 0.377 -0.045 0.000) 0.379 3.340 ( -2.730 0.038 0.000) 2.730 3.341 ( -2.749 0.034 0.000) 2.750 3.606 ( -5.156 0.086 0.000) 5.157 3.702 ( 2.976 0.077 0.000) 2.977 3.833 ( -1.216 -0.362 0.000) 1.268 4.028 ( -6.445 0.010 0.000) 6.445 4.095 ( 2.891 0.046 0.000) 2.892 4.213 ( -7.466 -0.341 0.000) 7.473 4.262 ( -3.918 0.107 0.000) 3.919 4.397 ( -13.787 -0.855 0.000) 13.813 4.519 ( -15.628 -0.981 0.000) 15.659 4.656 ( -2.324 -0.188 0.000) 2.331 4.740 ( 3.213 0.063 0.000) 3.213 4.951 ( 0.008 -0.161 0.000) 0.161 5.169 ( 5.724 -1.039 0.000) 5.818 5.342 ( 1.862 0.015 0.000) 1.862 5.701 ( -1.834 -0.339 0.000) 1.865 6.146 ( 5.026 0.542 0.000) 5.056 6.264 ( 11.985 0.171 0.000) 11.986 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 3.738 0.000) 3.738 0.663 ( 0.000 5.498 0.000) 5.498 1.005 ( -0.000 -1.026 0.000) 1.026 1.018 ( 0.000 9.109 0.000) 9.109 1.121 ( -0.000 -4.013 0.000) 4.013 1.160 ( 0.000 3.137 0.000) 3.137 1.202 ( 0.000 4.390 0.000) 4.390 1.252 ( -0.000 -3.096 0.000) 3.096 1.388 ( -0.000 -1.813 0.000) 1.813 1.426 ( 0.000 0.115 0.000) 0.115 1.440 ( -0.000 -3.724 0.000) 3.724 1.511 ( -0.000 -0.197 0.000) 0.197 1.671 ( 0.000 1.790 0.000) 1.790 1.787 ( -0.000 -1.243 0.000) 1.243 1.812 ( -0.000 -1.113 0.000) 1.113 2.171 ( -0.000 -5.872 0.000) 5.872 2.350 ( -0.000 -0.110 0.000) 0.110 3.295 ( -0.000 -0.081 0.000) 0.081 3.310 ( 0.000 0.035 0.000) 0.035 3.558 ( -0.000 -0.004 0.000) 0.004 3.744 ( 0.000 0.059 0.000) 0.059 3.824 ( -0.000 -0.822 0.000) 0.822 3.943 ( 0.000 0.144 0.000) 0.144 3.965 ( 0.000 0.164 0.000) 0.164 4.173 ( 0.000 0.897 0.000) 0.897 4.217 ( 0.000 0.119 0.000) 0.119 4.230 ( 0.000 0.136 0.000) 0.136 4.432 ( 0.000 0.496 0.000) 0.496 4.635 ( -0.000 -0.434 0.000) 0.434 4.771 ( 0.000 0.125 0.000) 0.125 4.952 ( -0.000 -0.294 0.000) 0.294 5.235 ( -0.000 -2.148 0.000) 2.148 5.361 ( 0.000 0.049 0.000) 0.049 5.687 ( -0.000 -0.641 0.000) 0.641 6.193 ( 0.000 1.175 0.000) 1.175 6.394 ( -0.000 -0.097 0.000) 0.097 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 0.000 0.000) 0.000 0.693 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.099 ( -0.000 -0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.231 ( -0.000 -0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 0.000 0.000 12.545) 12.545 0.336 ( 0.000 0.000 17.658) 17.658 0.608 ( 0.000 0.000 29.518) 29.518 0.887 ( 0.000 0.000 -8.309) 8.309 0.998 ( 0.000 0.000 -4.780) 4.780 1.176 ( 0.000 0.000 7.731) 7.731 1.328 ( 0.000 0.000 -5.504) 5.504 1.357 ( 0.000 0.000 0.249) 0.249 1.403 ( 0.000 0.000 -1.288) 1.288 1.494 ( 0.000 0.000 1.015) 1.015 1.534 ( 0.000 0.000 -0.196) 0.196 1.556 ( 0.000 0.000 2.176) 2.176 1.684 ( 0.000 0.000 -0.578) 0.578 1.739 ( 0.000 0.000 -3.567) 3.567 1.938 ( 0.000 0.000 0.997) 0.997 2.057 ( 0.000 0.000 -1.140) 1.140 2.421 ( 0.000 0.000 5.952) 5.952 3.299 ( 0.000 0.000 -0.196) 0.196 3.304 ( 0.000 0.000 -0.312) 0.312 3.364 ( 0.000 0.000 -17.733) 17.733 3.800 ( 0.000 0.000 4.072) 4.072 3.936 ( 0.000 0.000 0.370) 0.370 3.952 ( 0.000 0.000 -0.027) 0.027 4.071 ( 0.000 0.000 -4.349) 4.349 4.209 ( 0.000 0.000 0.114) 0.114 4.218 ( 0.000 0.000 -0.114) 0.114 4.414 ( 0.000 0.000 1.749) 1.749 4.627 ( 0.000 0.000 -3.790) 3.790 4.828 ( 0.000 0.000 6.626) 6.626 4.977 ( 0.000 0.000 1.982) 1.982 5.360 ( 0.000 0.000 0.958) 0.958 5.391 ( 0.000 0.000 3.700) 3.700 5.612 ( 0.000 0.000 -2.115) 2.115 5.674 ( 0.000 0.000 -7.234) 7.234 6.051 ( 0.000 0.000 2.640) 2.640 6.133 ( 0.000 0.000 -0.550) 0.550 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 11.740 -0.590 7.905) 14.165 0.502 ( 11.339 -3.285 11.796) 16.689 0.797 ( 13.473 -2.710 16.300) 21.321 0.929 ( 6.748 -0.541 -4.481) 8.118 1.055 ( 4.929 -1.024 -4.751) 6.922 1.202 ( 2.579 0.319 7.671) 8.099 1.300 ( -1.090 0.508 -2.947) 3.183 1.456 ( 6.592 0.827 0.181) 6.646 1.503 ( 3.310 0.560 -0.398) 3.380 1.537 ( 5.057 0.410 0.158) 5.076 1.565 ( 2.215 -0.077 0.321) 2.240 1.628 ( 10.075 0.050 -1.001) 10.125 1.656 ( 0.287 0.779 -0.591) 1.020 1.776 ( 5.972 -0.517 -2.936) 6.675 1.912 ( -1.807 0.710 0.761) 2.085 2.030 ( -2.781 -0.434 -1.229) 3.071 2.415 ( -0.391 -0.217 6.747) 6.762 3.281 ( -1.019 -0.275 -6.661) 6.744 3.338 ( 2.983 -0.022 0.118) 2.985 3.430 ( 5.433 -0.087 -11.016) 12.283 3.744 ( -3.144 -0.173 2.896) 4.278 3.849 ( -3.413 -0.345 -1.706) 3.831 4.033 ( 6.514 0.025 0.649) 6.546 4.103 ( -1.055 0.216 0.460) 1.171 4.245 ( 3.268 -0.032 0.312) 3.283 4.263 ( 3.612 -0.019 0.070) 3.613 4.462 ( 3.438 -0.011 2.079) 4.018 4.647 ( 2.094 0.251 -3.464) 4.056 4.802 ( -2.774 -0.313 7.201) 7.723 4.975 ( -0.230 -0.040 1.691) 1.707 5.318 ( -5.744 2.655 4.530) 7.782 5.345 ( -1.803 -0.126 1.179) 2.158 5.598 ( 3.753 15.088 -3.955) 16.043 5.682 ( 0.452 -0.502 -8.229) 8.256 6.020 ( -4.545 -4.297 2.034) 6.578 6.088 ( -5.041 -3.390 1.054) 6.166 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 13.331 2.624 4.650) 14.360 0.743 ( 10.574 -2.895 6.644) 12.819 0.973 ( 6.161 -0.350 -1.740) 6.412 1.160 ( 4.319 -0.875 -4.607) 6.375 1.189 ( 11.565 -1.228 2.083) 11.815 1.266 ( 3.563 1.543 6.285) 7.387 1.294 ( 2.464 -0.701 2.986) 3.934 1.540 ( 2.771 2.291 1.127) 3.768 1.563 ( 4.673 1.159 -0.264) 4.822 1.595 ( 0.207 -0.018 -1.481) 1.496 1.618 ( 5.599 -0.199 -0.612) 5.636 1.678 ( 1.962 -1.078 -1.759) 2.847 1.829 ( -0.181 -0.757 2.177) 2.312 1.957 ( -1.803 -0.105 -1.153) 2.143 1.993 ( 16.716 0.134 -0.387) 16.721 2.073 ( 20.393 0.398 -1.039) 20.423 2.410 ( -0.235 -0.217 8.010) 8.017 3.270 ( -0.265 -0.488 -8.742) 8.760 3.404 ( 3.160 -0.107 1.216) 3.387 3.543 ( 4.731 -0.281 -7.070) 8.512 3.713 ( 0.399 -0.505 1.221) 1.380 3.821 ( -0.376 -0.628 -4.288) 4.350 4.068 ( -1.620 0.344 2.938) 3.373 4.136 ( 3.574 0.019 -0.917) 3.690 4.315 ( 3.045 -0.059 0.542) 3.093 4.322 ( 2.171 0.078 0.833) 2.327 4.545 ( 4.629 0.025 1.090) 4.755 4.698 ( 2.430 0.516 -2.933) 3.844 4.728 ( -4.235 -0.645 8.515) 9.532 4.966 ( -0.916 -0.118 0.512) 1.056 5.155 ( -8.720 1.077 7.445) 11.516 5.294 ( -3.371 -0.020 0.858) 3.479 5.594 ( 1.480 9.323 -6.001) 11.186 5.682 ( -1.330 -0.317 -10.288) 10.378 5.949 ( -2.826 -1.765 3.624) 4.923 5.992 ( -5.080 -0.758 3.003) 5.950 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 11.007 4.374 2.443) 12.093 0.921 ( 5.885 -0.974 2.076) 6.316 1.082 ( 4.735 1.398 -0.110) 4.939 1.188 ( -0.418 0.895 -2.109) 2.329 1.283 ( 0.681 2.511 0.507) 2.651 1.323 ( 5.092 2.002 0.440) 5.489 1.429 ( 6.230 2.586 4.617) 8.174 1.568 ( -1.085 0.433 -1.247) 1.708 1.601 ( 4.199 0.888 1.057) 4.421 1.681 ( 4.825 -1.528 -0.884) 5.138 1.747 ( 4.938 -0.964 -0.963) 5.122 1.760 ( 7.057 -2.184 -0.795) 7.430 1.817 ( 0.233 -2.716 2.470) 3.679 1.907 ( -2.103 -3.226 -0.366) 3.869 2.371 ( 9.902 -0.400 5.223) 11.202 2.436 ( 10.774 0.297 5.679) 12.182 2.505 ( 21.502 0.324 -0.819) 21.520 3.275 ( 0.526 -0.285 -8.526) 8.547 3.440 ( -0.234 -0.136 2.269) 2.285 3.589 ( 0.483 -0.085 -1.961) 2.021 3.769 ( 3.526 -0.756 -3.752) 5.204 3.832 ( 1.194 -0.415 -5.246) 5.396 4.051 ( 0.280 0.189 3.034) 3.053 4.178 ( 0.765 -0.072 -2.539) 2.652 4.336 ( -1.228 -0.018 1.003) 1.586 4.355 ( 1.360 0.090 0.056) 1.364 4.574 ( -3.092 -0.122 6.257) 6.981 4.698 ( 2.859 -0.174 4.505) 5.338 4.721 ( -0.606 0.265 -3.093) 3.163 4.917 ( -4.170 -0.055 2.881) 5.069 5.034 ( -1.919 0.304 7.197) 7.454 5.216 ( -4.318 0.081 0.305) 4.329 5.530 ( -4.908 1.934 -5.829) 7.862 5.631 ( -3.091 0.936 -10.002) 10.510 5.910 ( -2.082 1.997 4.526) 5.368 5.963 ( 2.834 0.781 2.342) 3.758 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 1.547 2.276 -0.645) 2.827 1.004 ( 4.065 3.582 -0.102) 5.418 1.125 ( 0.386 2.279 2.754) 3.595 1.168 ( -0.948 0.542 1.782) 2.090 1.271 ( 1.508 6.129 0.638) 6.344 1.400 ( 4.162 4.686 -2.612) 6.789 1.517 ( 3.972 1.823 1.798) 4.726 1.554 ( 0.921 -0.125 -0.224) 0.956 1.688 ( 3.640 -0.790 1.036) 3.866 1.743 ( 1.128 -3.983 -0.791) 4.215 1.840 ( 2.041 -1.794 0.222) 2.727 1.870 ( 3.307 -3.722 1.159) 5.112 1.886 ( 3.442 -3.099 -0.255) 4.638 1.953 ( 5.105 -2.121 -0.997) 5.617 2.400 ( 0.183 -0.136 11.560) 11.562 2.761 ( 14.045 -0.444 1.820) 14.169 2.876 ( 14.908 0.114 -1.191) 14.956 3.294 ( 1.401 0.131 -7.945) 8.069 3.386 ( -4.941 -0.050 2.492) 5.535 3.599 ( 0.641 0.145 -2.485) 2.570 3.790 ( -2.598 -0.460 -3.971) 4.767 3.877 ( 3.130 -0.050 -5.697) 6.500 4.077 ( 2.143 0.012 1.497) 2.615 4.173 ( -0.162 -0.051 -3.399) 3.404 4.314 ( 0.548 -0.162 3.427) 3.475 4.377 ( 1.112 -0.068 0.717) 1.325 4.523 ( -0.604 0.051 10.627) 10.644 4.690 ( -1.758 0.154 -0.175) 1.773 4.759 ( 1.841 -0.090 0.632) 1.948 4.839 ( -3.949 -0.135 4.425) 5.932 5.037 ( 1.614 0.167 2.236) 2.763 5.127 ( -4.402 0.193 -0.275) 4.415 5.410 ( -6.010 -0.100 -3.794) 7.108 5.562 ( -3.270 0.590 -9.906) 10.448 5.874 ( -0.603 2.698 5.941) 6.553 6.025 ( 3.265 1.341 -0.127) 3.532 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -1.586 2.908 -0.757) 3.398 1.017 ( -0.237 1.995 -1.005) 2.246 1.105 ( -0.576 0.830 2.703) 2.886 1.143 ( -1.076 1.658 2.353) 3.073 1.293 ( 2.876 4.803 2.963) 6.334 1.446 ( 2.573 2.770 -2.011) 4.282 1.532 ( 0.026 -0.229 -0.313) 0.389 1.631 ( 4.253 0.701 -2.213) 4.845 1.732 ( 1.003 -1.173 0.766) 1.723 1.774 ( -1.107 -4.671 -0.426) 4.820 1.892 ( 2.721 -0.423 0.658) 2.831 1.925 ( 1.746 -1.625 1.819) 3.000 1.977 ( 3.234 -1.358 -0.887) 3.618 2.040 ( 2.096 -1.729 -1.105) 2.933 2.403 ( -0.007 -0.003 12.797) 12.797 2.959 ( 5.909 -0.420 1.765) 6.181 3.073 ( 5.361 -0.092 -1.279) 5.512 3.275 ( -5.176 0.035 1.961) 5.535 3.333 ( 2.898 0.490 -8.072) 8.590 3.551 ( -6.553 -0.302 -8.418) 10.672 3.756 ( 1.402 0.058 2.676) 3.021 3.939 ( 2.597 0.054 -5.427) 6.017 4.117 ( 1.449 0.053 -0.741) 1.628 4.206 ( 2.722 0.008 -3.199) 4.201 4.361 ( 3.525 -0.227 4.362) 5.612 4.422 ( 3.480 0.025 8.823) 9.485 4.552 ( 3.195 0.007 5.336) 6.219 4.655 ( -1.524 0.092 2.279) 2.743 4.750 ( -4.859 -0.130 2.440) 5.439 4.753 ( -2.866 -0.201 -0.285) 2.887 5.050 ( -2.667 0.287 -1.133) 2.912 5.085 ( 2.624 0.067 -0.674) 2.710 5.304 ( -4.600 -0.117 -1.773) 4.931 5.505 ( -2.015 0.225 -9.856) 10.063 5.851 ( -0.516 1.672 6.662) 6.887 6.067 ( 1.535 0.880 -1.363) 2.234 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 -0.000 0.150) 0.150 1.006 ( 0.000 -0.000 -1.127) 1.127 1.101 ( 0.000 -0.000 2.378) 2.378 1.122 ( 0.000 -0.000 1.736) 1.736 1.311 ( 0.000 -0.000 3.867) 3.867 1.466 ( 0.000 -0.000 -1.706) 1.706 1.535 ( 0.000 -0.000 0.150) 0.150 1.674 ( 0.000 -0.000 -4.421) 4.421 1.757 ( -0.000 -0.000 0.267) 0.267 1.758 ( 0.000 -0.000 -0.127) 0.127 1.923 ( 0.000 -0.000 2.511) 2.511 1.950 ( 0.000 -0.000 0.412) 0.412 2.015 ( 0.000 -0.000 -0.341) 0.341 2.060 ( 0.000 -0.000 -1.328) 1.328 2.402 ( 0.000 -0.000 13.133) 13.133 3.016 ( 0.000 -0.000 1.666) 1.666 3.120 ( 0.000 -0.000 -1.132) 1.132 3.219 ( 0.000 -0.000 1.698) 1.698 3.399 ( 0.000 -0.000 -12.248) 12.248 3.434 ( 0.000 -0.000 -4.096) 4.096 3.784 ( 0.000 -0.000 2.463) 2.463 3.965 ( 0.000 -0.000 -5.036) 5.036 4.130 ( 0.000 -0.000 -1.389) 1.389 4.239 ( 0.000 -0.000 -3.534) 3.534 4.413 ( 0.000 -0.000 5.496) 5.496 4.467 ( 0.000 -0.000 14.878) 14.878 4.629 ( 0.000 -0.000 -1.834) 1.834 4.642 ( 0.000 -0.000 5.042) 5.042 4.679 ( 0.000 -0.000 -0.565) 0.565 4.680 ( 0.000 -0.000 1.248) 1.248 5.021 ( 0.000 -0.000 -1.905) 1.905 5.122 ( 0.000 -0.000 -2.577) 2.577 5.249 ( 0.000 -0.000 -0.040) 0.040 5.484 ( 0.000 -0.000 -9.834) 9.834 5.841 ( 0.000 -0.000 6.949) 6.949 6.079 ( 0.000 -0.000 -1.752) 1.752 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 13.950 -0.000 4.272) 14.590 0.725 ( 11.141 -0.000 6.535) 12.916 0.970 ( 6.865 -0.000 -0.615) 6.893 1.155 ( 4.528 -0.000 -5.065) 6.794 1.181 ( 13.185 -0.000 2.233) 13.372 1.278 ( 5.719 -0.000 8.498) 10.243 1.286 ( -0.558 0.000 0.217) 0.598 1.554 ( 2.602 -0.000 0.978) 2.780 1.570 ( 5.332 -0.000 0.084) 5.333 1.595 ( -0.584 0.000 -1.836) 1.926 1.617 ( 5.278 -0.000 -0.553) 5.306 1.672 ( 2.305 -0.000 -1.613) 2.813 1.824 ( -0.634 0.000 2.349) 2.433 1.955 ( -3.800 0.000 -0.692) 3.862 1.995 ( 17.921 -0.000 -0.795) 17.939 2.075 ( 20.439 -0.000 -1.105) 20.469 2.409 ( -0.187 0.000 7.898) 7.900 3.267 ( -0.204 0.000 -8.759) 8.762 3.404 ( 3.148 -0.000 1.220) 3.376 3.542 ( 4.764 -0.000 -7.090) 8.542 3.710 ( 0.352 -0.000 1.194) 1.245 3.818 ( -0.305 0.000 -4.505) 4.516 4.070 ( -1.664 0.000 2.961) 3.397 4.136 ( 3.548 -0.000 -0.929) 3.668 4.315 ( 3.062 -0.000 0.535) 3.108 4.322 ( 2.191 -0.000 0.808) 2.335 4.545 ( 4.619 -0.000 1.133) 4.756 4.701 ( 2.645 -0.000 -3.335) 4.257 4.725 ( -4.443 0.000 8.837) 9.891 4.966 ( -0.903 0.000 0.500) 1.033 5.161 ( -9.124 0.000 7.399) 11.747 5.293 ( -3.348 0.000 0.874) 3.460 5.655 ( -3.350 0.000 -9.366) 9.947 5.671 ( 0.154 -0.000 -9.204) 9.205 5.938 ( -1.313 0.000 5.023) 5.191 5.988 ( -4.311 0.000 2.992) 5.248 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 10.778 2.552 2.045) 11.263 0.912 ( 7.186 -0.936 2.303) 7.604 1.092 ( 4.975 0.435 0.421) 5.012 1.195 ( -0.525 0.323 -2.091) 2.180 1.299 ( 2.119 0.655 0.176) 2.225 1.336 ( 5.683 0.585 0.230) 5.717 1.447 ( 7.974 0.824 4.260) 9.078 1.568 ( -1.446 -0.143 -0.954) 1.738 1.617 ( 3.815 1.312 0.754) 4.105 1.673 ( 3.847 -0.097 -0.732) 3.917 1.737 ( 4.081 -0.712 -0.912) 4.241 1.744 ( 6.001 -0.860 -0.652) 6.097 1.796 ( 0.382 -1.122 2.516) 2.781 1.880 ( -2.644 -1.537 -0.154) 3.062 2.369 ( 9.643 -0.129 5.170) 10.942 2.438 ( 10.705 0.119 5.688) 12.123 2.507 ( 21.531 0.114 -0.896) 21.549 3.273 ( 0.688 -0.107 -8.524) 8.552 3.439 ( -0.205 -0.051 2.287) 2.297 3.588 ( 0.586 -0.031 -1.941) 2.028 3.764 ( 3.631 -0.270 -3.740) 5.219 3.829 ( 1.375 -0.151 -5.408) 5.582 4.052 ( 0.167 0.070 2.989) 2.995 4.177 ( 0.759 -0.025 -2.570) 2.680 4.336 ( -1.221 0.000 1.047) 1.608 4.355 ( 1.302 0.034 0.013) 1.303 4.573 ( -3.104 -0.045 6.349) 7.067 4.697 ( 3.048 -0.064 4.618) 5.533 4.723 ( -0.708 0.099 -3.346) 3.422 4.916 ( -4.177 -0.023 2.769) 5.012 5.036 ( -2.108 0.109 7.290) 7.589 5.217 ( -4.289 0.020 0.375) 4.305 5.542 ( -6.737 0.566 -6.361) 9.283 5.638 ( -3.148 0.376 -10.239) 10.719 5.927 ( -1.641 0.932 4.787) 5.145 5.968 ( 3.401 0.202 2.312) 4.117 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 1.575 0.680 -0.317) 1.744 1.041 ( 3.845 2.846 -1.056) 4.899 1.142 ( 0.179 0.999 2.549) 2.743 1.175 ( -0.346 0.626 2.358) 2.464 1.327 ( 1.860 4.103 0.410) 4.524 1.440 ( 4.749 2.563 -2.576) 5.979 1.535 ( -0.050 1.221 0.328) 1.265 1.562 ( 4.063 1.872 1.501) 4.718 1.680 ( 1.707 -0.604 0.845) 1.998 1.701 ( 0.523 -3.700 -0.266) 3.747 1.803 ( 1.210 -3.985 0.552) 4.201 1.850 ( 4.628 -0.969 0.377) 4.743 1.861 ( 4.812 -1.306 0.054) 4.986 1.935 ( 5.393 -1.151 -1.107) 5.624 2.399 ( 0.254 -0.079 11.697) 11.700 2.758 ( 13.950 -0.227 1.887) 14.079 2.877 ( 14.766 0.065 -1.251) 14.819 3.295 ( 1.573 0.075 -7.922) 8.077 3.386 ( -4.892 -0.030 2.580) 5.530 3.600 ( 0.673 0.085 -2.425) 2.518 3.786 ( -2.405 -0.264 -3.801) 4.506 3.876 ( 3.250 -0.030 -5.670) 6.535 4.077 ( 2.128 0.008 1.450) 2.575 4.172 ( -0.155 -0.030 -3.381) 3.384 4.313 ( 0.480 -0.091 3.442) 3.476 4.376 ( 1.087 -0.043 0.694) 1.291 4.524 ( -0.553 0.030 10.636) 10.651 4.692 ( -1.845 0.090 -0.125) 1.851 4.758 ( 1.851 -0.060 0.635) 1.958 4.838 ( -3.960 -0.083 4.317) 5.859 5.039 ( 1.603 0.101 2.290) 2.797 5.129 ( -4.378 0.096 -0.185) 4.383 5.410 ( -6.153 0.028 -3.817) 7.240 5.565 ( -3.557 0.200 -10.091) 10.701 5.898 ( -0.959 1.644 5.733) 6.040 6.036 ( 3.136 0.748 0.008) 3.224 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -1.725 1.996 -1.315) 2.947 1.038 ( -1.283 1.863 -1.382) 2.651 1.113 ( -1.364 0.729 3.628) 3.944 1.163 ( -0.978 1.829 2.293) 3.092 1.333 ( 0.077 2.646 2.645) 3.742 1.475 ( 0.946 2.601 -2.289) 3.592 1.530 ( -0.037 -0.317 -0.042) 0.322 1.641 ( 3.896 1.144 -1.560) 4.350 1.723 ( 1.844 -1.654 0.389) 2.508 1.726 ( 0.612 -3.193 -0.137) 3.254 1.884 ( 4.283 -1.030 0.409) 4.424 1.912 ( 1.864 -0.824 2.221) 3.015 1.964 ( 3.926 -1.071 -1.348) 4.287 2.023 ( 2.353 -1.442 -1.232) 3.022 2.402 ( 0.008 -0.039 12.996) 12.996 2.956 ( 6.100 -0.239 1.794) 6.363 3.072 ( 5.345 -0.072 -1.352) 5.514 3.276 ( -5.157 0.031 2.090) 5.565 3.337 ( 2.994 0.337 -8.142) 8.681 3.548 ( -6.858 -0.245 -8.131) 10.639 3.757 ( 1.556 0.048 2.819) 3.220 3.939 ( 2.582 0.036 -5.299) 5.894 4.117 ( 1.460 0.042 -0.785) 1.659 4.206 ( 2.759 0.008 -3.171) 4.204 4.359 ( 3.568 -0.158 4.346) 5.625 4.422 ( 3.548 0.009 8.764) 9.455 4.552 ( 3.158 0.003 5.394) 6.250 4.656 ( -1.529 0.054 2.421) 2.863 4.748 ( -4.884 -0.085 2.305) 5.401 4.751 ( -2.863 -0.153 -0.286) 2.882 5.053 ( -2.767 0.239 -1.113) 2.992 5.085 ( 2.636 0.016 -0.598) 2.703 5.304 ( -4.534 -0.036 -1.761) 4.864 5.507 ( -2.119 0.106 -9.935) 10.159 5.867 ( -1.277 1.249 6.501) 6.742 6.075 ( 1.161 0.635 -1.256) 1.824 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -1.741 0.868 -0.053) 1.946 1.008 ( -0.920 0.280 -1.153) 1.501 1.102 ( 0.323 0.257 2.627) 2.659 1.126 ( -1.495 0.601 1.792) 2.410 1.297 ( -3.338 -2.325 3.707) 5.503 1.465 ( -1.496 -0.283 -1.764) 2.330 1.531 ( -0.110 -0.617 -0.087) 0.633 1.677 ( -0.184 0.528 -4.143) 4.180 1.740 ( 0.548 -0.908 0.693) 1.267 1.786 ( 3.638 2.728 -0.437) 4.568 1.922 ( -0.410 -0.237 2.427) 2.473 1.952 ( 1.111 0.321 0.384) 1.219 2.015 ( 0.590 -0.071 -0.347) 0.688 2.055 ( 0.936 -0.889 -1.221) 1.777 2.401 ( -0.054 -0.082 13.122) 13.122 3.016 ( 0.279 0.121 1.653) 1.680 3.120 ( 0.077 -0.010 -1.139) 1.141 3.219 ( -0.036 0.014 1.709) 1.710 3.397 ( -2.033 -0.234 -11.923) 12.098 3.435 ( 1.957 0.146 -4.417) 4.834 3.784 ( -0.117 0.004 2.464) 2.466 3.965 ( -0.032 -0.004 -5.037) 5.037 4.130 ( -0.054 -0.003 -1.390) 1.391 4.239 ( -0.028 0.007 -3.539) 3.540 4.413 ( 0.176 0.012 5.494) 5.497 4.466 ( -0.079 -0.000 14.882) 14.882 4.629 ( -0.230 -0.009 -1.826) 1.840 4.642 ( -0.171 -0.014 5.018) 5.021 4.679 ( 0.143 0.018 -0.492) 0.513 4.680 ( 0.497 -0.009 1.193) 1.292 5.021 ( -0.207 0.002 -1.908) 1.919 5.122 ( -0.028 -0.000 -2.576) 2.576 5.249 ( 0.034 0.000 -0.039) 0.052 5.484 ( -0.112 0.002 -9.834) 9.835 5.841 ( -0.892 0.006 6.948) 7.005 6.079 ( -0.483 0.001 -1.752) 1.817 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.613 -2.639 -0.143) 2.713 0.998 ( -0.787 -1.601 -1.144) 2.119 1.094 ( -0.895 -1.294 2.799) 3.211 1.132 ( 1.558 -0.457 1.962) 2.547 1.237 ( -4.380 -5.417 3.134) 7.639 1.416 ( -4.092 -2.945 -1.969) 5.412 1.535 ( 0.465 0.348 -0.702) 0.911 1.626 ( -4.642 -0.363 -2.402) 5.239 1.747 ( -0.200 1.453 1.298) 1.958 1.819 ( 0.769 3.837 -0.777) 3.990 1.894 ( -1.968 0.077 1.014) 2.215 1.943 ( -0.607 1.675 0.533) 1.860 1.992 ( -2.332 1.694 0.211) 2.890 2.056 ( -1.417 1.225 -0.911) 2.083 2.402 ( 0.051 -0.068 12.544) 12.544 2.964 ( -5.711 0.533 1.712) 5.986 3.074 ( -5.377 0.086 -1.200) 5.510 3.275 ( 5.192 -0.026 1.828) 5.505 3.328 ( -2.769 -0.531 -8.003) 8.485 3.554 ( 6.208 0.266 -8.730) 10.716 3.756 ( -1.223 -0.051 2.500) 2.783 3.938 ( -2.614 -0.059 -5.573) 6.156 4.116 ( -1.429 -0.048 -0.695) 1.590 4.206 ( -2.686 -0.005 -3.238) 4.207 4.364 ( -3.475 0.241 4.376) 5.593 4.422 ( -3.409 -0.041 8.891) 9.523 4.551 ( -3.234 -0.011 5.281) 6.192 4.654 ( 1.522 -0.113 2.122) 2.614 4.751 ( 4.894 0.142 2.653) 5.568 4.755 ( 2.789 0.193 -0.348) 2.817 5.047 ( 2.639 -0.250 -1.189) 2.905 5.084 ( -2.700 -0.109 -0.726) 2.798 5.306 ( 4.768 0.211 -1.794) 5.099 5.502 ( 1.774 -0.342 -9.718) 9.884 5.833 ( -0.315 -1.619 6.808) 7.005 6.057 ( -1.986 -0.896 -1.488) 2.638 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -3.187 -4.175 0.127) 5.255 0.973 ( -2.228 -2.597 -0.745) 3.501 1.096 ( -0.480 -2.956 3.690) 4.752 1.165 ( 1.135 -0.103 1.235) 1.680 1.205 ( -1.158 -6.155 0.695) 6.301 1.349 ( -4.324 -4.722 -2.457) 6.858 1.500 ( -6.112 -1.232 2.145) 6.593 1.558 ( 0.316 0.579 -1.201) 1.370 1.695 ( -4.526 0.504 1.297) 4.735 1.780 ( -2.251 2.732 -1.626) 3.895 1.854 ( -1.956 1.417 1.439) 2.812 1.906 ( -4.838 2.628 -0.277) 5.513 1.929 ( 0.015 4.725 0.394) 4.741 1.978 ( -4.884 2.544 -0.764) 5.559 2.402 ( -0.063 0.155 11.368) 11.369 2.767 ( -14.173 0.595 1.720) 14.289 2.874 ( -15.101 -0.134 -1.108) 15.142 3.292 ( -1.158 -0.154 -7.976) 8.062 3.387 ( 5.004 0.054 2.372) 5.538 3.597 ( -0.589 -0.163 -2.570) 2.641 3.796 ( 2.881 0.537 -4.210) 5.129 3.877 ( -2.966 0.054 -5.733) 6.454 4.077 ( -2.170 -0.010 1.562) 2.673 4.173 ( 0.174 0.059 -3.430) 3.435 4.316 ( -0.640 0.195 3.405) 3.470 4.377 ( -1.139 0.068 0.748) 1.364 4.523 ( 0.675 -0.057 10.613) 10.635 4.688 ( 1.663 -0.174 -0.237) 1.688 4.760 ( -1.842 0.079 0.640) 1.951 4.841 ( 3.923 0.137 4.562) 6.018 5.036 ( -1.646 -0.181 2.158) 2.720 5.125 ( 4.428 -0.266 -0.404) 4.454 5.413 ( 5.867 0.465 -3.779) 6.994 5.552 ( 2.637 -1.262 -9.406) 9.850 5.844 ( 0.354 -2.787 6.017) 6.640 6.009 ( -3.485 -1.627 -0.316) 3.859 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -10.106 -3.881 2.902) 11.208 0.932 ( -4.239 0.851 1.096) 4.460 1.064 ( -4.201 -1.917 -0.201) 4.622 1.177 ( -0.049 -1.223 -2.125) 2.452 1.246 ( 1.054 -4.418 1.118) 4.678 1.293 ( -3.943 -3.532 0.484) 5.316 1.395 ( -5.360 -3.649 5.395) 8.435 1.562 ( -1.293 -0.354 -1.081) 1.722 1.601 ( -2.864 0.586 0.714) 3.009 1.702 ( -4.931 2.070 -1.647) 5.595 1.759 ( -5.798 1.527 -0.202) 5.999 1.790 ( -7.971 3.480 -0.883) 8.742 1.847 ( -0.770 2.766 2.080) 3.546 1.941 ( 1.025 2.959 -0.671) 3.202 2.377 ( -10.297 0.667 5.333) 11.615 2.432 ( -10.823 -0.347 5.663) 12.220 2.501 ( -21.524 -0.474 -0.708) 21.541 3.278 ( -0.261 0.373 -8.524) 8.537 3.441 ( 0.282 0.174 2.232) 2.256 3.590 ( -0.312 0.115 -1.999) 2.027 3.779 ( -3.330 1.080 -3.788) 5.158 3.837 ( -0.878 0.573 -4.973) 5.082 4.049 ( -0.471 -0.254 3.109) 3.155 4.179 ( -0.773 0.106 -2.483) 2.602 4.337 ( 1.273 0.079 0.907) 1.565 4.353 ( -1.459 -0.120 0.126) 1.470 4.575 ( 3.070 0.164 6.101) 6.832 4.700 ( -2.488 0.233 4.176) 4.867 4.718 ( 0.394 -0.349 -2.494) 2.548 4.917 ( 4.165 0.052 3.085) 5.183 5.030 ( 1.584 -0.431 7.017) 7.206 5.215 ( 4.349 -0.190 0.163) 4.357 5.500 ( 0.786 -3.593 -4.738) 5.998 5.621 ( 3.886 -0.961 -9.463) 10.275 5.889 ( 3.279 -1.795 3.922) 5.418 5.952 ( -2.172 -1.314 2.270) 3.405 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -11.073 -0.701 5.054) 12.192 0.779 ( -9.310 3.905 6.630) 12.078 0.975 ( -4.749 0.033 -3.316) 5.792 1.166 ( -2.412 -0.223 -4.709) 5.295 1.202 ( -8.480 1.027 2.983) 9.048 1.248 ( -3.423 -2.036 6.711) 7.804 1.297 ( -3.798 -0.270 3.266) 5.016 1.511 ( -2.990 -2.858 1.531) 4.410 1.555 ( -5.199 0.117 -0.653) 5.241 1.596 ( -1.287 0.319 -1.259) 1.829 1.623 ( -6.097 0.754 -0.703) 6.183 1.691 ( -1.480 1.248 -1.982) 2.770 1.838 ( -0.836 0.854 1.743) 2.113 1.950 ( -5.700 -1.412 -1.683) 6.109 1.996 ( -11.266 0.776 0.033) 11.293 2.067 ( -20.268 -0.669 -0.852) 20.297 2.413 ( 0.359 0.359 8.313) 8.328 3.277 ( 0.416 0.786 -8.687) 8.732 3.406 ( -3.188 0.185 1.206) 3.414 3.547 ( -4.635 0.478 -7.017) 8.423 3.720 ( -0.529 0.928 1.287) 1.673 3.830 ( 0.563 1.080 -3.689) 3.885 4.063 ( 1.507 -0.580 2.859) 3.283 4.136 ( -3.644 -0.023 -0.879) 3.749 4.316 ( -2.960 0.118 0.652) 3.033 4.321 ( -2.157 -0.074 0.807) 2.304 4.544 ( -4.657 -0.032 0.975) 4.758 4.692 ( -2.429 -0.646 -2.830) 3.785 4.737 ( 4.255 0.872 8.642) 9.672 4.968 ( 0.944 0.200 0.545) 1.108 5.139 ( 7.504 -1.910 7.535) 10.805 5.294 ( 3.413 -0.082 0.805) 3.507 5.474 ( -7.056 -12.877 -2.000) 14.819 5.680 ( 0.746 -0.560 -10.136) 10.179 5.969 ( 4.858 1.926 1.792) 5.525 6.002 ( 6.973 1.011 2.925) 7.629 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -7.311 5.108 8.369) 12.230 0.557 ( -9.759 6.338 11.587) 16.422 0.847 ( -11.530 6.312 11.522) 17.479 0.942 ( -7.337 2.027 -2.038) 7.880 1.074 ( -5.053 2.385 -4.737) 7.326 1.196 ( -2.322 -0.706 7.395) 7.783 1.289 ( 1.161 -1.758 -1.505) 2.590 1.440 ( -6.385 -2.054 0.402) 6.720 1.490 ( -2.740 -1.673 -0.133) 3.213 1.530 ( -4.205 -0.884 -0.310) 4.308 1.567 ( -3.384 0.257 0.042) 3.394 1.626 ( -10.505 -0.360 -1.037) 10.562 1.644 ( -2.208 -1.163 -0.565) 2.558 1.783 ( -4.315 0.681 -2.936) 5.263 1.897 ( 1.292 -1.961 0.669) 2.442 2.037 ( 3.579 0.537 -2.892) 4.633 2.420 ( 0.501 0.549 7.152) 7.191 3.286 ( 0.872 0.694 -6.502) 6.597 3.338 ( -3.012 0.061 0.094) 3.014 3.432 ( -5.527 0.240 -11.030) 12.340 3.747 ( 3.038 0.497 3.045) 4.330 3.856 ( 3.260 0.929 -1.266) 3.618 4.032 ( -6.453 -0.057 0.601) 6.481 4.099 ( 1.035 -0.568 0.212) 1.199 4.245 ( -3.288 0.104 0.373) 3.311 4.263 ( -3.549 0.052 0.158) 3.553 4.462 ( -3.331 0.021 2.043) 3.908 4.642 ( -2.109 -0.653 -3.444) 4.090 4.808 ( 2.776 0.821 7.476) 8.017 4.976 ( 0.043 -0.036 1.811) 1.812 5.235 ( -5.229 -15.646 7.997) 18.333 5.347 ( 1.877 0.126 1.251) 2.260 5.416 ( -3.301 -13.493 4.172) 14.504 5.677 ( -0.768 -1.159 -7.863) 7.985 6.059 ( 4.428 3.027 0.182) 5.367 6.148 ( 8.639 6.204 -1.347) 10.721 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 0.000 12.346 8.882) 15.210 0.372 ( 0.000 6.467 15.765) 17.040 0.634 ( 0.000 4.861 28.421) 28.834 0.894 ( 0.000 1.443 -7.992) 8.121 1.005 ( 0.000 1.359 -4.654) 4.848 1.174 ( -0.000 -0.350 7.852) 7.860 1.330 ( -0.000 -0.167 -5.005) 5.008 1.353 ( -0.000 -0.792 0.257) 0.833 1.402 ( -0.000 -0.186 -1.399) 1.412 1.490 ( -0.000 -0.746 1.061) 1.297 1.531 ( -0.000 -0.490 -0.221) 0.537 1.552 ( -0.000 -0.899 1.790) 2.003 1.654 ( -0.000 -3.458 -0.982) 3.594 1.762 ( 0.000 2.444 -2.929) 3.815 1.926 ( -0.000 -2.106 0.883) 2.284 2.076 ( 0.000 2.959 -4.902) 5.726 2.424 ( 0.000 0.584 6.119) 6.147 3.299 ( -0.000 -0.077 -0.190) 0.205 3.304 ( 0.000 0.020 -0.319) 0.320 3.366 ( 0.000 0.335 -17.518) 17.522 3.800 ( 0.000 0.115 4.110) 4.111 3.937 ( 0.000 0.146 0.370) 0.398 3.953 ( 0.000 0.162 -0.029) 0.165 4.068 ( -0.000 -0.595 -4.254) 4.295 4.210 ( 0.000 0.104 0.111) 0.152 4.219 ( 0.000 0.132 -0.121) 0.179 4.415 ( 0.000 0.141 1.695) 1.701 4.625 ( -0.000 -0.494 -3.748) 3.780 4.832 ( 0.000 0.595 6.767) 6.793 4.976 ( -0.000 -0.610 2.504) 2.577 5.240 ( -0.000 -32.949 20.706) 38.915 5.366 ( -0.000 -0.248 1.779) 1.796 5.455 ( -0.000 -8.995 6.279) 10.970 5.674 ( -0.000 -0.872 -7.082) 7.135 6.090 ( 0.000 3.039 -0.225) 3.047 6.212 ( 0.000 10.593 -6.456) 12.405 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 1.768 -0.000 -0.141) 1.774 1.056 ( 3.402 -0.000 -1.704) 3.805 1.147 ( 0.272 -0.000 2.713) 2.727 1.178 ( -0.151 0.000 2.606) 2.611 1.350 ( 2.024 -0.000 0.261) 2.041 1.453 ( 5.239 -0.000 -2.406) 5.765 1.541 ( -1.132 0.000 0.086) 1.135 1.578 ( 5.354 -0.000 1.559) 5.576 1.677 ( 0.222 -0.000 0.018) 0.222 1.677 ( -0.479 0.000 0.794) 0.928 1.779 ( 2.217 -0.000 0.858) 2.377 1.843 ( 5.351 -0.000 -0.474) 5.372 1.856 ( 4.490 -0.000 0.574) 4.527 1.929 ( 5.528 -0.000 -1.127) 5.642 2.399 ( 0.276 -0.000 11.746) 11.749 2.757 ( 13.915 -0.000 1.909) 14.046 2.877 ( 14.713 -0.000 -1.273) 14.768 3.295 ( 1.635 -0.000 -7.913) 8.081 3.386 ( -4.873 0.000 2.612) 5.529 3.600 ( 0.684 -0.000 -2.403) 2.499 3.785 ( -2.338 0.000 -3.740) 4.411 3.876 ( 3.294 -0.000 -5.660) 6.549 4.077 ( 2.123 -0.000 1.433) 2.561 4.172 ( -0.152 0.000 -3.375) 3.378 4.313 ( 0.455 -0.000 3.446) 3.476 4.376 ( 1.077 -0.000 0.686) 1.277 4.524 ( -0.535 0.000 10.640) 10.653 4.692 ( -1.880 0.000 -0.105) 1.883 4.758 ( 1.857 -0.000 0.638) 1.964 4.837 ( -3.962 0.000 4.276) 5.829 5.039 ( 1.602 -0.000 2.309) 2.810 5.129 ( -4.368 0.000 -0.154) 4.371 5.410 ( -6.208 0.000 -3.825) 7.292 5.566 ( -3.636 0.000 -10.133) 10.766 5.907 ( -1.119 0.000 5.635) 5.746 6.040 ( 3.095 -0.000 0.057) 3.096 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -1.512 0.664 -1.522) 2.246 1.052 ( -1.885 0.678 -1.902) 2.763 1.121 ( -1.703 0.579 4.396) 4.749 1.176 ( -0.978 0.662 2.270) 2.559 1.349 ( -2.278 0.705 2.289) 3.306 1.497 ( -0.388 1.427 -2.849) 3.210 1.526 ( -0.458 -0.392 0.188) 0.632 1.655 ( 3.232 1.539 -0.652) 3.638 1.685 ( 1.304 -2.831 0.571) 3.169 1.722 ( 4.488 -0.026 -0.385) 4.505 1.874 ( 5.407 -0.567 0.422) 5.453 1.906 ( 1.702 -0.275 1.916) 2.578 1.955 ( 4.365 -0.426 -1.252) 4.561 2.012 ( 2.299 -0.535 -1.342) 2.715 2.402 ( 0.008 -0.021 13.102) 13.102 2.954 ( 6.218 -0.074 1.802) 6.474 3.071 ( 5.334 -0.027 -1.396) 5.514 3.276 ( -5.144 0.012 2.169) 5.583 3.340 ( 3.043 0.119 -8.185) 8.733 3.546 ( -7.036 -0.095 -7.958) 10.622 3.757 ( 1.643 0.019 2.899) 3.332 3.940 ( 2.573 0.012 -5.224) 5.823 4.118 ( 1.464 0.016 -0.813) 1.675 4.206 ( 2.783 0.003 -3.158) 4.209 4.358 ( 3.594 -0.056 4.336) 5.632 4.423 ( 3.591 0.002 8.728) 9.438 4.552 ( 3.135 0.000 5.432) 6.272 4.656 ( -1.533 0.017 2.504) 2.936 4.748 ( -4.955 -0.028 2.280) 5.454 4.750 ( -2.801 -0.058 -0.343) 2.823 5.054 ( -2.872 0.095 -1.117) 3.083 5.085 ( 2.690 -0.003 -0.539) 2.744 5.303 ( -4.522 -0.004 -1.757) 4.851 5.508 ( -2.146 0.028 -9.967) 10.196 5.876 ( -1.729 0.462 6.398) 6.643 6.079 ( 0.950 0.231 -1.194) 1.543 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -2.897 0.884 -0.501) 3.070 1.011 ( -1.646 0.284 -1.219) 2.068 1.106 ( 0.515 0.510 3.225) 3.306 1.132 ( -2.583 0.543 1.929) 3.269 1.270 ( -5.333 -2.253 3.423) 6.726 1.458 ( -3.152 -0.871 -2.014) 3.840 1.526 ( 0.310 -0.317 -0.317) 0.545 1.683 ( -0.619 0.506 -3.918) 3.998 1.737 ( 2.626 0.206 1.279) 2.928 1.810 ( 4.286 1.599 -0.616) 4.616 1.919 ( -0.476 -0.262 2.279) 2.343 1.957 ( 1.884 0.445 0.184) 1.945 2.016 ( 1.239 0.432 -0.333) 1.354 2.043 ( 1.453 -1.457 -0.965) 2.273 2.400 ( -0.102 -0.082 13.099) 13.099 3.018 ( 0.486 0.122 1.627) 1.702 3.120 ( 0.134 -0.010 -1.152) 1.160 3.219 ( -0.063 0.014 1.734) 1.735 3.395 ( -3.190 -0.217 -11.403) 11.843 3.436 ( 3.054 0.129 -4.931) 5.802 3.784 ( -0.203 0.004 2.464) 2.473 3.965 ( -0.056 -0.004 -5.039) 5.040 4.130 ( -0.094 -0.003 -1.393) 1.396 4.239 ( -0.049 0.007 -3.550) 3.550 4.414 ( 0.304 0.012 5.490) 5.499 4.466 ( -0.138 -0.000 14.891) 14.892 4.629 ( -0.389 -0.009 -1.809) 1.851 4.642 ( -0.312 -0.014 4.972) 4.981 4.679 ( 0.314 0.029 -0.394) 0.504 4.680 ( 0.800 -0.020 1.130) 1.385 5.021 ( -0.358 0.002 -1.913) 1.946 5.122 ( -0.048 -0.000 -2.574) 2.574 5.249 ( 0.059 0.000 -0.039) 0.071 5.484 ( -0.194 0.002 -9.835) 9.837 5.841 ( -1.546 0.006 6.947) 7.117 6.079 ( -0.836 0.001 -1.750) 1.939 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.760 -1.561 0.177) 1.745 0.984 ( -1.730 -1.073 -1.326) 2.429 1.081 ( -2.030 -0.921 3.349) 4.023 1.131 ( 1.515 0.125 1.598) 2.206 1.185 ( -4.552 -4.315 3.142) 7.015 1.387 ( -4.757 -2.404 -2.114) 5.734 1.539 ( 0.954 0.349 -0.996) 1.423 1.623 ( -5.089 -0.197 -2.389) 5.625 1.760 ( -0.536 1.038 1.660) 2.030 1.853 ( 0.190 2.496 -0.950) 2.678 1.895 ( -1.232 0.224 1.240) 1.762 1.955 ( -0.357 0.534 -0.557) 0.850 2.014 ( -0.866 2.354 0.996) 2.699 2.064 ( -0.558 0.177 -0.577) 0.822 2.401 ( 0.114 -0.106 12.304) 12.305 2.970 ( -5.560 0.466 1.649) 5.818 3.074 ( -5.390 0.059 -1.137) 5.509 3.275 ( 5.203 -0.013 1.729) 5.483 3.322 ( -2.641 -0.419 -7.958) 8.395 3.556 ( 5.915 0.174 -8.984) 10.758 3.755 ( -1.065 -0.034 2.340) 2.571 3.938 ( -2.629 -0.046 -5.698) 6.275 4.116 ( -1.407 -0.032 -0.660) 1.554 4.206 ( -2.659 -0.002 -3.279) 4.221 4.366 ( -3.434 0.185 4.382) 5.571 4.422 ( -3.356 -0.041 8.950) 9.559 4.551 ( -3.264 -0.011 5.243) 6.176 4.653 ( 1.523 -0.095 1.993) 2.510 4.752 ( 4.967 0.111 2.873) 5.739 4.757 ( 2.664 0.135 -0.448) 2.704 5.045 ( 2.671 -0.162 -1.259) 2.957 5.082 ( -2.824 -0.103 -0.746) 2.923 5.309 ( 5.021 0.227 -1.823) 5.346 5.499 ( 1.416 -0.346 -9.540) 9.651 5.819 ( -0.975 -1.143 6.887) 7.048 6.049 ( -2.393 -0.666 -1.596) 2.952 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -3.252 -3.193 0.621) 4.600 0.943 ( -1.910 -3.132 -1.084) 3.826 1.068 ( -0.451 -2.161 4.511) 5.022 1.146 ( -0.854 -4.818 0.596) 4.929 1.165 ( 0.981 0.003 0.865) 1.308 1.305 ( -4.681 -3.491 -2.327) 6.286 1.490 ( -7.351 -0.751 2.148) 7.695 1.564 ( 0.954 0.534 -1.747) 2.061 1.699 ( -4.870 0.199 1.508) 5.102 1.798 ( -3.713 0.890 -2.048) 4.333 1.874 ( -0.919 2.363 1.895) 3.165 1.928 ( -3.443 1.549 -0.370) 3.794 1.974 ( -0.536 3.722 0.125) 3.763 2.003 ( -4.661 2.157 -0.508) 5.161 2.404 ( 0.090 0.133 11.171) 11.172 2.773 ( -14.298 0.591 1.608) 14.400 2.873 ( -15.293 -0.118 -1.024) 15.327 3.291 ( -0.907 -0.135 -8.008) 8.060 3.387 ( 5.061 0.044 2.249) 5.538 3.595 ( -0.531 -0.137 -2.656) 2.712 3.801 ( 3.192 0.474 -4.460) 5.505 3.878 ( -2.800 0.044 -5.767) 6.411 4.077 ( -2.201 -0.006 1.625) 2.736 4.174 ( 0.189 0.051 -3.466) 3.472 4.318 ( -0.728 0.177 3.378) 3.460 4.378 ( -1.157 0.050 0.778) 1.395 4.522 ( 0.747 -0.049 10.599) 10.625 4.687 ( 1.594 -0.144 -0.290) 1.626 4.760 ( -1.863 0.043 0.665) 1.978 4.842 ( 3.884 0.096 4.687) 6.087 5.034 ( -1.699 -0.150 2.072) 2.684 5.122 ( 4.441 -0.269 -0.543) 4.483 5.421 ( 5.942 0.991 -3.820) 7.133 5.535 ( 1.506 -1.977 -8.448) 8.806 5.818 ( 0.449 -2.014 5.717) 6.078 5.992 ( -3.763 -1.489 -0.505) 4.078 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -8.086 -1.570 2.878) 8.725 0.935 ( -2.127 -0.483 -0.606) 2.263 1.046 ( -3.313 -1.203 0.748) 3.603 1.162 ( -0.498 -1.700 -2.282) 2.889 1.196 ( 1.502 -4.786 1.622) 5.271 1.252 ( -2.826 -3.903 0.740) 4.876 1.357 ( -6.198 -3.372 6.339) 9.485 1.562 ( -2.802 0.283 -0.808) 2.929 1.609 ( -1.720 0.844 0.016) 1.916 1.717 ( -4.081 0.639 -2.559) 4.859 1.782 ( -6.557 2.710 0.930) 7.155 1.831 ( -8.496 4.253 -0.803) 9.535 1.872 ( -1.461 1.995 1.510) 2.897 1.966 ( -0.306 1.683 -1.009) 1.986 2.385 ( -10.666 0.816 5.484) 12.021 2.429 ( -10.767 -0.281 5.648) 12.161 2.496 ( -21.677 -0.515 -0.614) 21.692 3.282 ( 0.020 0.356 -8.514) 8.522 3.443 ( 0.336 0.161 2.181) 2.213 3.591 ( -0.124 0.115 -2.049) 2.056 3.791 ( -3.081 1.142 -3.855) 5.066 3.843 ( -0.510 0.579 -4.668) 4.732 4.046 ( -0.687 -0.251 3.191) 3.274 4.180 ( -0.778 0.116 -2.416) 2.541 4.338 ( 1.390 0.162 0.752) 1.589 4.352 ( -1.571 -0.116 0.204) 1.588 4.577 ( 3.039 0.160 5.924) 6.660 4.703 ( -1.938 0.222 3.371) 3.895 4.714 ( 0.040 -0.336 -1.317) 1.360 4.918 ( 4.176 0.020 3.341) 5.348 5.025 ( 1.189 -0.451 6.775) 6.893 5.212 ( 4.325 -0.318 -0.057) 4.337 5.457 ( -4.331 -4.493 -3.216) 7.021 5.612 ( 5.380 -0.621 -8.802) 10.334 5.875 ( 4.608 -0.931 2.966) 5.558 5.937 ( -1.491 -1.540 2.197) 3.070 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -7.221 3.143 4.664) 9.153 0.824 ( -7.750 4.418 5.919) 10.705 0.975 ( -3.338 0.092 -3.967) 5.185 1.155 ( -1.261 -1.691 -3.458) 4.051 1.202 ( -4.319 -1.374 3.079) 5.479 1.221 ( -3.438 -3.128 7.749) 9.036 1.284 ( -3.012 -2.276 2.561) 4.562 1.487 ( -3.507 -1.456 1.724) 4.170 1.571 ( -6.710 2.731 -0.690) 7.278 1.603 ( -2.130 1.169 -1.401) 2.805 1.634 ( -7.050 1.364 -0.785) 7.224 1.703 ( -1.366 0.941 -1.957) 2.566 1.845 ( -1.869 0.401 1.180) 2.246 1.930 ( -10.473 -2.169 -1.522) 10.802 2.005 ( -9.164 0.701 -0.209) 9.193 2.059 ( -20.157 -0.776 -0.600) 20.180 2.417 ( 0.502 0.387 8.717) 8.740 3.286 ( 0.588 0.822 -8.591) 8.650 3.408 ( -3.219 0.209 1.192) 3.439 3.553 ( -4.493 0.536 -6.948) 8.292 3.732 ( -0.711 1.169 1.363) 1.931 3.843 ( 0.797 1.227 -2.849) 3.203 4.056 ( 1.368 -0.648 2.707) 3.101 4.135 ( -3.737 -0.011 -0.821) 3.826 4.317 ( -2.487 -0.084 1.201) 2.763 4.322 ( -2.498 0.300 0.345) 2.540 4.544 ( -4.695 -0.027 0.832) 4.769 4.685 ( -2.640 -0.594 -3.011) 4.048 4.746 ( 4.495 0.865 9.170) 10.249 4.970 ( 0.958 0.227 0.599) 1.153 5.116 ( 5.306 -2.323 7.548) 9.514 5.288 ( 2.022 -1.938 0.663) 2.878 5.339 ( -9.654 -11.247 1.402) 14.888 5.673 ( 0.017 -0.748 -9.666) 9.695 5.988 ( 6.206 1.668 0.839) 6.480 6.012 ( 8.949 0.839 2.789) 9.411 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -2.332 9.702 7.011) 12.195 0.629 ( -7.827 7.187 11.923) 15.971 0.911 ( -4.778 4.812 0.789) 6.826 0.978 ( -11.139 4.916 6.146) 13.639 1.099 ( -4.291 2.037 -3.921) 6.159 1.189 ( -1.717 -0.686 6.266) 6.533 1.265 ( 0.610 -2.597 0.734) 2.767 1.415 ( -6.088 -2.694 0.735) 6.698 1.471 ( -2.896 -1.782 -0.349) 3.418 1.519 ( -3.594 -1.174 -0.576) 3.824 1.570 ( -5.082 0.478 -0.185) 5.108 1.619 ( -10.238 -0.913 -1.027) 10.330 1.637 ( -3.876 -0.172 -0.600) 3.926 1.787 ( -3.030 0.024 -3.037) 4.290 1.872 ( 0.385 -2.699 0.540) 2.779 2.037 ( 4.131 -0.638 -4.715) 6.301 2.426 ( 0.646 0.646 7.806) 7.859 3.294 ( 0.606 0.814 -6.196) 6.279 3.339 ( -3.065 0.087 0.065) 3.067 3.435 ( -5.686 0.329 -11.048) 12.430 3.754 ( 2.862 0.750 3.321) 4.447 3.868 ( 3.002 1.227 -0.415) 3.269 4.032 ( -6.346 -0.052 0.525) 6.368 4.092 ( 1.010 -0.725 -0.253) 1.269 4.247 ( -3.352 0.196 0.528) 3.399 4.264 ( -3.452 0.064 0.329) 3.468 4.462 ( -3.156 0.002 2.005) 3.739 4.634 ( -2.163 -0.835 -3.391) 4.108 4.818 ( 2.780 1.024 8.044) 8.573 4.964 ( -5.873 -5.495 5.165) 9.558 5.029 ( -14.180 -16.237 12.044) 24.693 5.330 ( 3.941 -5.165 4.510) 7.909 5.349 ( 1.888 0.018 1.074) 2.172 5.662 ( -0.898 -1.417 -7.461) 7.647 6.090 ( 4.543 2.887 0.343) 5.393 6.202 ( 10.000 3.981 -2.076) 10.961 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 13.771 6.964) 15.432 0.460 ( 0.000 9.616 12.385) 15.680 0.709 ( 0.000 9.157 24.521) 26.175 0.917 ( 0.000 2.779 -7.409) 7.913 1.026 ( 0.000 2.547 -4.304) 5.001 1.171 ( -0.000 -0.178 7.793) 7.796 1.315 ( -0.000 -2.746 -2.328) 3.600 1.341 ( -0.000 -1.659 0.274) 1.682 1.398 ( -0.000 -0.554 -1.739) 1.826 1.479 ( -0.000 -1.271 1.219) 1.761 1.524 ( -0.000 -0.755 -0.292) 0.810 1.538 ( -0.000 -1.653 0.660) 1.780 1.628 ( -0.000 -1.488 -1.281) 1.964 1.778 ( 0.000 0.737 -2.505) 2.611 1.897 ( -0.000 -3.314 0.446) 3.343 2.102 ( 0.000 1.485 -10.109) 10.218 2.432 ( 0.000 0.827 6.606) 6.657 3.297 ( -0.000 -0.132 -0.176) 0.220 3.304 ( 0.000 0.035 -0.339) 0.341 3.371 ( 0.000 0.528 -16.967) 16.975 3.802 ( 0.000 0.282 4.240) 4.250 3.939 ( 0.000 0.253 0.370) 0.448 3.955 ( 0.000 0.280 -0.036) 0.282 4.060 ( -0.000 -0.985 -3.767) 3.894 4.211 ( 0.000 0.183 0.100) 0.209 4.221 ( 0.000 0.226 -0.140) 0.265 4.417 ( 0.000 0.187 1.597) 1.608 4.618 ( -0.000 -0.886 -3.507) 3.617 4.840 ( -0.000 -0.154 9.178) 9.179 4.845 ( -0.000 -28.663 37.019) 46.818 4.994 ( -0.000 -2.071 4.816) 5.243 5.366 ( 0.000 0.125 1.552) 1.557 5.401 ( -0.000 -4.092 3.795) 5.581 5.661 ( -0.000 -1.440 -6.808) 6.958 6.121 ( 0.000 3.089 0.169) 3.094 6.296 ( 0.000 5.500 -7.005) 8.906 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -3.264 0.000 -0.748) 3.349 1.013 ( -1.924 0.000 -1.258) 2.299 1.110 ( 0.624 -0.000 3.606) 3.659 1.135 ( -3.018 0.000 2.000) 3.620 1.257 ( -6.026 0.000 3.262) 6.852 1.452 ( -3.704 0.000 -2.168) 4.292 1.524 ( 0.506 -0.000 -0.358) 0.620 1.686 ( -0.914 0.000 -3.893) 3.999 1.739 ( 3.382 -0.000 1.516) 3.707 1.818 ( 4.396 -0.000 -0.601) 4.437 1.918 ( -0.419 0.000 2.211) 2.251 1.959 ( 2.091 -0.000 -0.007) 2.091 2.022 ( 2.389 -0.000 -0.185) 2.396 2.030 ( 0.821 -0.000 -0.933) 1.243 2.400 ( -0.122 0.000 13.087) 13.087 3.018 ( 0.564 -0.000 1.614) 1.709 3.120 ( 0.155 -0.000 -1.159) 1.169 3.219 ( -0.073 0.000 1.746) 1.747 3.393 ( -3.530 0.000 -11.190) 11.733 3.437 ( 3.371 -0.000 -5.143) 6.149 3.784 ( -0.234 0.000 2.465) 2.476 3.965 ( -0.064 0.000 -5.040) 5.041 4.130 ( -0.108 0.000 -1.394) 1.398 4.239 ( -0.057 0.000 -3.555) 3.555 4.414 ( 0.352 -0.000 5.488) 5.499 4.466 ( -0.159 0.000 14.896) 14.897 4.629 ( -0.443 0.000 -1.802) 1.856 4.642 ( -0.369 0.000 4.949) 4.963 4.679 ( 0.378 -0.000 -0.459) 0.595 4.680 ( 0.912 -0.000 1.213) 1.518 5.021 ( -0.414 0.000 -1.915) 1.960 5.122 ( -0.055 0.000 -2.573) 2.573 5.249 ( 0.068 -0.000 -0.039) 0.078 5.484 ( -0.224 0.000 -9.835) 9.838 5.841 ( -1.785 0.000 6.947) 7.173 6.079 ( -0.965 0.000 -1.749) 1.998 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -1.762 -0.464 0.244) 1.839 0.976 ( -2.357 -0.385 -1.381) 2.759 1.075 ( -2.615 -0.301 3.732) 4.567 1.134 ( 0.867 0.613 1.778) 2.071 1.150 ( -3.849 -2.164 2.786) 5.221 1.369 ( -4.846 -0.934 -2.254) 5.426 1.542 ( 1.224 0.145 -1.149) 1.685 1.621 ( -5.380 -0.069 -2.350) 5.871 1.768 ( -1.061 0.350 1.853) 2.164 1.870 ( -0.819 0.739 -0.947) 1.454 1.899 ( 0.221 0.390 1.220) 1.300 1.956 ( -0.739 -0.117 -0.695) 1.021 2.038 ( -0.138 1.903 0.808) 2.072 2.060 ( 0.270 -0.850 -0.171) 0.908 2.400 ( 0.160 -0.052 12.155) 12.157 2.973 ( -5.481 0.188 1.606) 5.715 3.075 ( -5.396 0.021 -1.103) 5.507 3.275 ( 5.209 -0.004 1.682) 5.473 3.319 ( -2.559 -0.161 -7.941) 8.344 3.557 ( 5.749 0.059 -9.123) 10.784 3.755 ( -0.974 -0.012 2.244) 2.447 3.937 ( -2.637 -0.017 -5.769) 6.344 4.116 ( -1.392 -0.011 -0.641) 1.533 4.206 ( -2.645 -0.000 -3.305) 4.233 4.367 ( -3.411 0.070 4.383) 5.554 4.421 ( -3.327 -0.017 8.985) 9.582 4.551 ( -3.281 -0.004 5.225) 6.170 4.652 ( 1.526 -0.038 1.921) 2.454 4.753 ( 5.031 0.042 3.019) 5.868 4.758 ( 2.562 0.048 -0.529) 2.616 5.044 ( 2.710 -0.055 -1.308) 3.010 5.082 ( -2.917 -0.042 -0.747) 3.012 5.310 ( 5.228 0.101 -1.845) 5.545 5.496 ( 1.124 -0.151 -9.406) 9.474 5.810 ( -1.321 -0.408 6.906) 7.043 6.044 ( -2.635 -0.246 -1.659) 3.124 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -1.806 -1.272 0.526) 2.270 0.911 ( -3.369 -2.647 -0.471) 4.310 1.052 ( -0.354 -0.989 4.626) 4.744 1.106 ( -0.443 -2.626 0.562) 2.722 1.164 ( 0.598 -0.024 0.544) 0.808 1.277 ( -4.806 -1.783 -2.172) 5.567 1.484 ( -8.064 -0.358 2.108) 8.342 1.569 ( 1.320 0.304 -2.054) 2.460 1.700 ( -4.984 0.044 1.633) 5.245 1.803 ( -4.331 0.150 -1.926) 4.743 1.898 ( -0.962 1.796 1.739) 2.678 1.939 ( -1.927 0.582 -0.294) 2.034 2.005 ( -1.555 2.022 -0.126) 2.554 2.021 ( -4.205 1.160 -0.310) 4.373 2.405 ( 0.227 0.076 11.021) 11.024 2.779 ( -14.386 0.374 1.519) 14.471 2.872 ( -15.432 -0.070 -0.962) 15.463 3.290 ( -0.716 -0.079 -8.032) 8.064 3.388 ( 5.099 0.024 2.159) 5.537 3.594 ( -0.484 -0.077 -2.719) 2.763 3.805 ( 3.440 0.278 -4.653) 5.793 3.878 ( -2.680 0.024 -5.791) 6.381 4.077 ( -2.227 -0.002 1.671) 2.784 4.174 ( 0.202 0.029 -3.496) 3.502 4.320 ( -0.788 0.106 3.355) 3.448 4.378 ( -1.166 0.025 0.800) 1.414 4.522 ( 0.801 -0.028 10.588) 10.618 4.686 ( 1.561 -0.079 -0.322) 1.595 4.761 ( -1.893 0.012 0.696) 2.017 4.843 ( 3.846 0.044 4.771) 6.128 5.033 ( -1.752 -0.085 2.003) 2.662 5.120 ( 4.440 -0.172 -0.650) 4.490 5.433 ( 6.706 1.251 -3.962) 7.889 5.513 ( -0.225 -1.980 -7.319) 7.585 5.803 ( 0.771 -0.951 5.193) 5.335 5.979 ( -4.015 -0.901 -0.640) 4.164 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -5.451 1.248 2.152) 5.992 0.917 ( -0.223 -2.884 -1.630) 3.321 1.042 ( -1.811 0.315 2.075) 2.772 1.140 ( 0.741 -2.304 -1.472) 2.833 1.152 ( -1.043 -3.334 -0.100) 3.495 1.218 ( -2.230 -2.440 1.815) 3.771 1.327 ( -7.672 -2.340 7.132) 10.733 1.565 ( -3.458 0.309 -0.603) 3.524 1.618 ( -0.778 0.783 -0.711) 1.313 1.719 ( -3.863 -0.129 -2.815) 4.781 1.810 ( -6.454 2.486 1.689) 7.119 1.873 ( -8.875 3.006 -0.110) 9.371 1.891 ( -1.780 1.855 0.336) 2.592 1.975 ( -1.559 0.197 -1.369) 2.084 2.393 ( -10.924 0.694 5.622) 12.305 2.426 ( -10.591 -0.166 5.649) 12.005 2.491 ( -21.952 -0.408 -0.571) 21.964 3.286 ( 0.244 0.251 -8.500) 8.507 3.444 ( 0.382 0.110 2.131) 2.168 3.592 ( 0.031 0.085 -2.096) 2.098 3.802 ( -2.842 0.882 -3.939) 4.937 3.849 ( -0.194 0.427 -4.413) 4.438 4.044 ( -0.871 -0.182 3.257) 3.377 4.181 ( -0.780 0.092 -2.358) 2.485 4.340 ( 1.572 0.189 0.559) 1.680 4.351 ( -1.665 -0.083 0.268) 1.689 4.578 ( 3.005 0.114 5.771) 6.507 4.705 ( -1.164 0.156 1.534) 1.932 4.711 ( -0.553 -0.245 0.914) 1.096 4.918 ( 4.202 -0.010 3.589) 5.526 5.021 ( 0.848 -0.342 6.533) 6.597 5.209 ( 4.167 -0.365 -0.333) 4.196 5.412 ( -8.305 -3.659 -1.722) 9.237 5.607 ( 6.603 -0.303 -8.275) 10.591 5.869 ( 5.527 -0.148 1.961) 5.866 5.921 ( -0.936 -1.358 2.266) 2.803 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -3.053 6.413 3.243) 7.808 0.868 ( -5.638 3.601 4.118) 7.856 0.979 ( -2.472 0.683 -3.616) 4.434 1.133 ( -0.799 -2.522 -1.988) 3.309 1.176 ( -1.865 -3.025 3.257) 4.821 1.184 ( -3.585 -3.683 9.543) 10.839 1.250 ( -1.403 -3.927 1.861) 4.566 1.481 ( -3.722 0.137 1.525) 4.025 1.603 ( -5.623 2.852 -1.214) 6.420 1.620 ( -3.495 1.883 -1.490) 4.240 1.653 ( -8.550 2.400 -0.773) 8.914 1.710 ( -2.130 0.433 -1.435) 2.604 1.846 ( -2.692 -0.060 0.565) 2.752 1.908 ( -12.165 -2.008 -1.339) 12.402 2.009 ( -9.800 0.129 -0.388) 9.808 2.051 ( -20.328 -0.736 -0.392) 20.345 2.421 ( 0.611 0.312 9.110) 9.136 3.293 ( 0.722 0.646 -8.474) 8.530 3.410 ( -3.242 0.177 1.177) 3.454 3.558 ( -4.342 0.450 -6.888) 8.155 3.744 ( -0.896 1.114 1.414) 2.011 3.855 ( 1.002 1.036 -1.961) 2.434 4.050 ( 1.246 -0.545 2.499) 2.845 4.135 ( -3.828 0.002 -0.756) 3.902 4.315 ( -2.213 -0.155 1.493) 2.674 4.326 ( -2.634 0.556 0.070) 2.693 4.544 ( -4.737 -0.033 0.719) 4.792 4.680 ( -2.859 -0.432 -3.150) 4.276 4.754 ( 4.740 0.681 9.713) 10.829 4.973 ( 0.935 0.212 0.680) 1.176 5.092 ( 0.932 -2.293 7.225) 7.637 5.201 ( -10.131 -10.021 3.495) 14.672 5.299 ( 2.461 -0.408 1.122) 2.736 5.665 ( -0.577 -0.631 -9.217) 9.257 6.003 ( 7.153 1.258 0.441) 7.276 6.019 ( 10.395 0.560 2.728) 10.761 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.531 11.547 5.066) 12.620 0.705 ( -6.167 7.327 11.913) 15.285 0.947 ( -0.614 2.384 -4.945) 5.524 1.029 ( -10.815 3.516 10.870) 15.732 1.114 ( -2.351 0.912 -2.248) 3.378 1.177 ( -0.013 -1.639 4.590) 4.874 1.243 ( -0.753 -1.323 2.103) 2.596 1.389 ( -6.690 -1.850 1.219) 7.048 1.457 ( -4.538 -0.662 -0.945) 4.682 1.504 ( -3.853 -1.703 -0.288) 4.222 1.577 ( -7.002 0.702 -0.326) 7.044 1.610 ( -9.826 -0.853 -0.785) 9.894 1.640 ( -3.927 0.841 -0.936) 4.124 1.783 ( -2.080 -0.974 -3.204) 3.942 1.844 ( -0.796 -2.512 0.454) 2.674 2.022 ( 3.759 -2.170 -5.799) 7.244 2.432 ( 0.743 0.530 8.503) 8.552 3.302 ( 0.279 0.667 -5.807) 5.852 3.340 ( -3.134 0.088 0.051) 3.136 3.438 ( -5.855 0.329 -11.063) 12.522 3.762 ( 2.671 0.850 3.665) 4.614 3.881 ( 2.711 1.156 0.735) 3.037 4.031 ( -6.225 -0.024 0.450) 6.241 4.084 ( 0.993 -0.672 -0.837) 1.463 4.249 ( -3.472 0.304 0.821) 3.581 4.264 ( -3.391 0.028 0.541) 3.434 4.462 ( -2.978 -0.061 2.054) 3.618 4.626 ( -2.300 -0.800 -3.262) 4.071 4.799 ( -20.228 -14.069 17.528) 30.238 4.834 ( -0.630 -0.726 8.337) 8.392 4.987 ( 0.057 -0.276 2.518) 2.534 5.282 ( 4.947 -4.072 4.296) 7.715 5.349 ( 1.933 0.075 1.181) 2.267 5.648 ( -0.946 -1.187 -7.029) 7.191 6.119 ( 4.890 2.548 0.599) 5.546 6.234 ( 10.286 2.295 -1.640) 10.666 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 9.958 9.690) 13.894 0.579 ( 0.000 11.997 9.546) 15.332 0.819 ( 0.000 11.056 17.663) 20.838 0.947 ( 0.000 2.671 -6.194) 6.746 1.058 ( 0.000 3.408 -3.812) 5.113 1.172 ( 0.000 0.587 6.925) 6.949 1.276 ( -0.000 -4.328 1.138) 4.475 1.318 ( -0.000 -2.540 0.285) 2.556 1.389 ( -0.000 -1.265 -2.245) 2.578 1.465 ( -0.000 -1.277 1.457) 1.937 1.516 ( -0.000 -0.719 -0.393) 0.819 1.517 ( -0.000 -2.416 0.181) 2.423 1.622 ( 0.000 0.309 -1.595) 1.624 1.781 ( -0.000 -0.212 -2.728) 2.737 1.859 ( -0.000 -3.710 -0.034) 3.711 2.100 ( -0.000 -1.923 -11.881) 12.035 2.440 ( 0.000 0.670 7.427) 7.457 3.296 ( -0.000 -0.149 -0.156) 0.216 3.305 ( 0.000 0.042 -0.367) 0.369 3.376 ( 0.000 0.544 -16.294) 16.303 3.806 ( 0.000 0.469 4.481) 4.505 3.942 ( 0.000 0.291 0.371) 0.471 3.959 ( 0.000 0.322 -0.045) 0.325 4.048 ( -0.000 -1.117 -2.431) 2.675 4.213 ( 0.000 0.214 0.085) 0.231 4.224 ( 0.000 0.256 -0.165) 0.304 4.418 ( -0.000 -0.086 2.007) 2.009 4.578 ( -0.000 -16.242 35.241) 38.804 4.614 ( -0.000 -3.375 2.142) 3.997 4.852 ( 0.000 1.181 7.636) 7.726 4.990 ( -0.000 -0.003 2.631) 2.631 5.356 ( -0.000 -4.115 3.670) 5.514 5.369 ( -0.000 -0.011 1.205) 1.205 5.646 ( -0.000 -1.331 -6.396) 6.533 6.154 ( 0.000 3.123 0.622) 3.184 6.337 ( 0.000 2.725 -5.082) 5.767 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.057 0.000 0.226) 0.233 0.895 ( -5.180 0.000 0.108) 5.181 1.046 ( -0.306 0.000 4.534) 4.544 1.092 ( -0.267 0.000 0.587) 0.645 1.164 ( 0.415 -0.000 0.397) 0.574 1.268 ( -4.791 0.000 -2.082) 5.224 1.482 ( -8.301 0.000 2.089) 8.559 1.570 ( 1.443 -0.000 -2.155) 2.593 1.700 ( -5.007 0.000 1.673) 5.279 1.803 ( -4.470 0.000 -1.853) 4.839 1.908 ( -1.320 0.000 1.663) 2.123 1.942 ( -1.118 0.000 -0.268) 1.149 2.016 ( -2.189 0.000 -0.243) 2.203 2.027 ( -3.806 0.000 -0.211) 3.812 2.405 ( 0.282 -0.000 10.965) 10.969 2.781 ( -14.418 0.000 1.485) 14.495 2.872 ( -15.484 0.000 -0.939) 15.512 3.289 ( -0.645 0.000 -8.041) 8.067 3.388 ( 5.113 -0.000 2.125) 5.537 3.594 ( -0.466 0.000 -2.743) 2.782 3.807 ( 3.535 -0.000 -4.725) 5.902 3.878 ( -2.635 0.000 -5.800) 6.371 4.077 ( -2.237 0.000 1.688) 2.802 4.175 ( 0.208 -0.000 -3.508) 3.515 4.320 ( -0.810 0.000 3.345) 3.442 4.378 ( -1.167 0.000 0.808) 1.420 4.522 ( 0.820 -0.000 10.584) 10.616 4.685 ( 1.553 -0.000 -0.333) 1.588 4.761 ( -1.908 0.000 0.710) 2.036 4.843 ( 3.830 -0.000 4.800) 6.141 5.032 ( -1.774 0.000 1.976) 2.656 5.119 ( 4.436 -0.000 -0.690) 4.489 5.442 ( 7.869 -0.000 -4.069) 8.859 5.500 ( -1.781 0.000 -6.781) 7.011 5.798 ( 0.942 -0.000 4.936) 5.025 5.974 ( -4.120 0.000 -0.689) 4.177 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -3.357 2.156 0.844) 4.078 0.883 ( 0.518 -2.864 -0.722) 2.999 1.048 ( 0.172 0.558 2.904) 2.962 1.122 ( 2.212 -0.967 0.184) 2.421 1.126 ( -4.221 -1.472 -3.294) 5.552 1.202 ( -2.120 -0.691 2.676) 3.483 1.310 ( -8.757 -0.855 7.623) 11.642 1.568 ( -3.699 0.112 -0.504) 3.735 1.624 ( -0.152 0.337 -1.171) 1.228 1.717 ( -3.955 -0.136 -2.845) 4.874 1.830 ( -6.074 1.039 2.302) 6.578 1.887 ( -6.536 0.320 0.485) 6.562 1.915 ( -4.546 1.820 -0.548) 4.927 1.972 ( -2.320 -0.502 -1.789) 2.973 2.398 ( -11.066 0.275 5.696) 12.449 2.425 ( -10.403 -0.052 5.667) 11.847 2.487 ( -22.194 -0.157 -0.569) 22.202 3.287 ( 0.366 0.090 -8.489) 8.497 3.445 ( 0.408 0.039 2.099) 2.139 3.593 ( 0.118 0.031 -2.125) 2.128 3.808 ( -2.692 0.334 -4.000) 4.833 3.852 ( -0.014 0.157 -4.269) 4.272 4.042 ( -0.977 -0.066 3.294) 3.436 4.182 ( -0.780 0.035 -2.324) 2.451 4.341 ( 1.724 0.088 0.412) 1.774 4.350 ( -1.720 -0.030 0.304) 1.746 4.579 ( 2.980 0.041 5.682) 6.416 4.706 ( -0.125 0.064 -1.906) 1.912 4.709 ( -1.484 -0.100 4.626) 4.859 4.918 ( 4.227 -0.010 3.747) 5.649 5.018 ( 0.655 -0.128 6.378) 6.413 5.205 ( 3.929 -0.178 -0.553) 3.972 5.385 ( -10.269 -1.382 -0.799) 10.392 5.605 ( 7.221 -0.087 -7.994) 10.773 5.870 ( 6.078 0.105 1.202) 6.197 5.910 ( -0.758 -0.606 2.503) 2.685 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.232 7.128 1.011) 7.203 0.887 ( -2.456 -0.338 1.324) 2.811 0.994 ( -3.426 2.283 -2.264) 4.699 1.099 ( 0.142 -3.725 0.451) 3.755 1.144 ( -5.373 -2.689 11.251) 12.755 1.159 ( -0.346 -0.532 3.051) 3.116 1.207 ( -0.715 -3.903 1.610) 4.282 1.485 ( -3.368 0.409 1.169) 3.588 1.625 ( -5.186 1.399 -1.634) 5.614 1.638 ( -2.244 1.341 -2.381) 3.535 1.681 ( -9.194 2.630 -0.355) 9.569 1.711 ( -4.439 -0.283 -0.483) 4.474 1.846 ( -3.405 -0.014 0.047) 3.405 1.890 ( -12.213 -1.329 -1.326) 12.356 2.009 ( -10.774 -0.176 -0.391) 10.782 2.045 ( -20.862 -0.478 -0.287) 20.869 2.423 ( 0.668 0.170 9.391) 9.416 3.299 ( 0.798 0.347 -8.377) 8.422 3.411 ( -3.254 0.100 1.164) 3.458 3.562 ( -4.229 0.254 -6.852) 8.056 3.754 ( -1.028 0.695 1.431) 1.894 3.864 ( 1.130 0.581 -1.266) 1.793 4.045 ( 1.168 -0.310 2.308) 2.605 4.135 ( -3.894 0.005 -0.705) 3.957 4.314 ( -2.134 -0.098 1.639) 2.692 4.332 ( -2.594 0.462 -0.150) 2.639 4.543 ( -4.777 -0.037 0.675) 4.825 4.676 ( -3.000 -0.215 -3.183) 4.379 4.760 ( 4.887 0.363 10.098) 11.224 4.975 ( 0.927 0.165 0.794) 1.232 5.069 ( -10.532 -2.107 5.845) 12.228 5.120 ( -1.794 -5.010 6.205) 8.175 5.297 ( 3.074 -0.101 0.999) 3.233 5.660 ( -0.945 -0.351 -8.917) 8.974 6.014 ( 7.755 0.684 0.304) 7.792 6.024 ( 11.234 0.279 2.729) 11.564 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.660 10.387 4.046) 11.167 0.781 ( -4.013 6.935 10.465) 13.180 0.964 ( 0.038 0.760 -5.060) 5.117 1.034 ( -7.079 -2.551 11.756) 13.958 1.120 ( 0.070 0.185 -1.651) 1.662 1.163 ( 1.105 -0.470 5.193) 5.330 1.229 ( 0.024 -1.858 1.351) 2.298 1.384 ( -8.867 1.097 1.497) 9.059 1.458 ( -6.699 0.631 -1.156) 6.827 1.483 ( -4.968 -2.126 0.120) 5.405 1.584 ( -8.895 0.679 -0.193) 8.923 1.602 ( -9.592 -0.574 -0.592) 9.627 1.654 ( -2.709 1.707 -1.240) 3.434 1.767 ( -1.326 -1.968 -3.400) 4.146 1.823 ( -1.906 -1.373 0.411) 2.385 1.995 ( 2.695 -2.741 -6.240) 7.329 2.437 ( 0.776 0.319 9.068) 9.107 3.308 ( -0.022 0.399 -5.449) 5.464 3.341 ( -3.200 0.064 0.059) 3.201 3.441 ( -5.983 0.241 -11.077) 12.592 3.771 ( 2.517 0.702 3.981) 4.762 3.891 ( 2.458 0.783 1.910) 3.210 4.031 ( -6.123 0.000 0.395) 6.136 4.078 ( 0.975 -0.468 -1.356) 1.735 4.253 ( -3.592 0.384 1.289) 3.836 4.264 ( -3.472 -0.072 0.657) 3.535 4.461 ( -2.892 -0.164 2.371) 3.743 4.618 ( -2.909 -0.646 -2.686) 4.012 4.669 ( -22.941 -9.207 16.916) 29.953 4.842 ( 2.655 0.812 8.647) 9.082 4.986 ( 0.283 -0.062 2.401) 2.419 5.245 ( 4.946 -2.863 4.210) 7.098 5.350 ( 1.984 0.033 1.202) 2.320 5.638 ( -0.947 -0.755 -6.670) 6.779 6.142 ( 5.205 1.743 0.831) 5.551 6.252 ( 10.328 1.216 -1.061) 10.453 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 8.338 7.975) 11.538 0.696 ( 0.000 10.256 13.779) 17.177 0.923 ( 0.000 7.775 9.920) 12.603 0.968 ( 0.000 1.096 -3.747) 3.904 1.096 ( 0.000 3.775 -3.305) 5.017 1.183 ( 0.000 1.361 4.912) 5.097 1.238 ( -0.000 -2.113 3.965) 4.493 1.288 ( -0.000 -3.158 0.292) 3.171 1.372 ( -0.000 -1.970 -2.651) 3.303 1.454 ( -0.000 -0.779 1.542) 1.728 1.486 ( -0.000 -3.283 0.788) 3.376 1.510 ( -0.000 -0.499 -0.491) 0.700 1.633 ( 0.000 1.727 -1.964) 2.615 1.775 ( -0.000 -0.921 -3.076) 3.211 1.823 ( -0.000 -2.946 -0.412) 2.975 2.066 ( -0.000 -4.285 -11.386) 12.165 2.445 ( 0.000 0.391 8.360) 8.370 3.294 ( -0.000 -0.127 -0.137) 0.187 3.305 ( 0.000 0.037 -0.394) 0.396 3.382 ( 0.000 0.428 -15.708) 15.714 3.812 ( 0.000 0.552 4.780) 4.812 3.945 ( 0.000 0.251 0.372) 0.449 3.962 ( 0.000 0.277 -0.054) 0.282 4.037 ( -0.000 -1.047 -0.076) 1.050 4.216 ( 0.000 0.188 0.070) 0.201 4.226 ( 0.000 0.218 -0.188) 0.288 4.404 ( -0.000 -4.157 16.056) 16.585 4.450 ( -0.000 -5.430 20.504) 21.211 4.601 ( -0.000 -0.798 -3.359) 3.452 4.864 ( 0.000 1.092 8.195) 8.267 4.990 ( -0.000 -0.031 2.675) 2.675 5.313 ( -0.000 -3.701 3.251) 4.926 5.370 ( 0.000 0.102 1.379) 1.383 5.634 ( -0.000 -0.947 -5.953) 6.028 6.184 ( 0.000 2.500 1.031) 2.704 6.359 ( 0.000 1.453 -3.493) 3.784 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 2.096 -0.000 -1.270) 2.450 0.874 ( -1.330 0.000 1.409) 1.937 1.014 ( -5.186 0.000 -3.090) 6.036 1.072 ( 1.677 -0.000 2.486) 2.999 1.129 ( -6.840 0.000 14.418) 15.958 1.165 ( 1.937 -0.000 -0.224) 1.950 1.178 ( -2.086 0.000 2.732) 3.438 1.488 ( -3.155 0.000 1.010) 3.312 1.633 ( -6.645 0.000 -1.511) 6.815 1.646 ( 0.404 -0.000 -3.280) 3.304 1.702 ( -10.166 0.000 0.032) 10.166 1.704 ( -5.014 0.000 -0.029) 5.014 1.846 ( -3.768 0.000 -0.109) 3.770 1.882 ( -11.886 0.000 -1.418) 11.971 2.007 ( -11.227 0.000 -0.358) 11.233 2.042 ( -21.164 0.000 -0.257) 21.166 2.424 ( 0.683 -0.000 9.493) 9.517 3.301 ( 0.822 -0.000 -8.339) 8.379 3.412 ( -3.258 0.000 1.159) 3.458 3.563 ( -4.187 0.000 -6.841) 8.020 3.758 ( -1.075 0.000 1.431) 1.789 3.867 ( 1.171 -0.000 -0.999) 1.539 4.044 ( 1.142 -0.000 2.230) 2.505 4.135 ( -3.918 0.000 -0.686) 3.977 4.313 ( -2.114 0.000 1.689) 2.706 4.335 ( -2.563 0.000 -0.258) 2.576 4.543 ( -4.797 0.000 0.673) 4.844 4.675 ( -3.045 0.000 -3.177) 4.400 4.762 ( 4.924 -0.000 10.237) 11.360 4.976 ( 1.004 -0.000 0.867) 1.327 5.055 ( -20.192 0.000 4.614) 20.713 5.095 ( 6.904 -0.000 7.809) 10.423 5.296 ( 3.161 -0.000 0.979) 3.309 5.658 ( -1.068 0.000 -8.813) 8.878 6.017 ( 7.961 -0.000 0.277) 7.966 6.025 ( 11.510 -0.000 2.735) 11.831 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -3.484 3.764 8.042) 9.539 0.856 ( 2.438 6.874 1.357) 7.419 0.955 ( -1.773 -3.055 1.639) 3.894 0.997 ( -5.306 -2.361 9.262) 10.932 1.118 ( 2.427 -0.356 0.808) 2.583 1.171 ( 1.632 1.913 3.403) 4.231 1.202 ( 1.069 -2.816 1.089) 3.203 1.405 ( -11.343 2.119 0.918) 11.576 1.453 ( -2.518 -1.773 0.968) 3.229 1.473 ( -10.203 0.366 -1.280) 10.289 1.590 ( -10.434 0.394 0.213) 10.444 1.598 ( -8.981 -0.292 -0.689) 9.012 1.672 ( -1.582 1.227 -1.116) 2.292 1.747 ( -1.267 -1.315 -3.791) 4.208 1.814 ( -2.338 -0.382 0.415) 2.405 1.971 ( 1.747 -1.336 -6.385) 6.753 2.439 ( 0.778 0.103 9.379) 9.412 3.311 ( -0.203 0.128 -5.237) 5.243 3.341 ( -3.240 0.023 0.072) 3.241 3.443 ( -6.047 0.088 -11.087) 12.629 3.776 ( 2.434 0.278 4.168) 4.834 3.897 ( 2.309 0.269 2.677) 3.546 4.031 ( -6.067 0.004 0.369) 6.079 4.075 ( 0.952 -0.170 -1.641) 1.905 4.257 ( -3.532 0.276 2.018) 4.077 4.263 ( -3.757 -0.139 0.349) 3.776 4.459 ( -2.997 -0.133 2.951) 4.208 4.602 ( -21.594 -2.570 15.042) 26.442 4.617 ( -3.396 -0.599 -2.126) 4.051 4.848 ( 2.812 0.322 8.985) 9.420 4.986 ( 0.264 -0.037 2.472) 2.487 5.224 ( 4.845 -1.042 4.152) 6.465 5.350 ( 2.016 0.007 1.202) 2.347 5.633 ( -0.937 -0.257 -6.469) 6.542 6.154 ( 5.384 0.618 0.968) 5.505 6.260 ( 10.329 0.385 -0.706) 10.361 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 4.919 7.081) 8.622 0.793 ( 0.000 7.927 19.336) 20.898 0.964 ( 0.000 0.038 2.023) 2.023 0.972 ( -0.000 -0.039 -1.998) 1.999 1.134 ( 0.000 3.220 -3.003) 4.402 1.199 ( 0.000 1.706 5.251) 5.521 1.239 ( 0.000 1.641 3.740) 4.084 1.255 ( -0.000 -2.907 0.387) 2.932 1.351 ( -0.000 -1.647 -2.864) 3.304 1.448 ( -0.000 -0.305 1.444) 1.476 1.452 ( -0.000 -2.843 1.657) 3.291 1.506 ( -0.000 -0.242 -0.558) 0.609 1.655 ( 0.000 2.036 -1.907) 2.790 1.761 ( -0.000 -1.471 -3.560) 3.852 1.801 ( -0.000 -1.197 -0.551) 1.317 2.020 ( -0.000 -3.808 -10.384) 11.060 2.448 ( 0.000 0.167 9.035) 9.037 3.293 ( -0.000 -0.073 -0.124) 0.143 3.305 ( 0.000 0.022 -0.414) 0.415 3.385 ( 0.000 0.234 -15.326) 15.328 3.817 ( 0.000 0.393 5.021) 5.036 3.947 ( 0.000 0.145 0.372) 0.400 3.964 ( 0.000 0.160 -0.060) 0.170 4.027 ( -0.000 -0.694 2.423) 2.521 4.217 ( 0.000 0.109 0.057) 0.124 4.228 ( 0.000 0.125 -0.205) 0.240 4.352 ( -0.000 -3.653 27.484) 27.726 4.433 ( -0.000 -0.231 3.282) 3.290 4.595 ( -0.000 -0.440 -3.346) 3.375 4.874 ( 0.000 0.692 8.656) 8.684 4.989 ( -0.000 -0.095 2.805) 2.807 5.282 ( -0.000 -2.155 3.074) 3.754 5.371 ( 0.000 0.050 1.396) 1.397 5.626 ( -0.000 -0.482 -5.632) 5.653 6.205 ( 0.000 1.379 1.316) 1.907 6.370 ( 0.000 0.665 -2.524) 2.610 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 0.000 6.817) 6.817 0.843 ( -0.000 -0.000 26.705) 26.705 0.953 ( 0.000 0.000 -5.950) 5.950 0.971 ( 0.000 0.000 -1.372) 1.372 1.154 ( 0.000 0.000 -3.092) 3.092 1.211 ( 0.000 0.000 5.952) 5.952 1.236 ( 0.000 0.000 0.633) 0.633 1.251 ( 0.000 0.000 2.621) 2.621 1.342 ( 0.000 0.000 -2.950) 2.950 1.435 ( 0.000 0.000 2.180) 2.180 1.447 ( 0.000 0.000 1.384) 1.384 1.505 ( 0.000 0.000 -0.582) 0.582 1.667 ( 0.000 0.000 -1.604) 1.604 1.752 ( 0.000 0.000 -4.003) 4.003 1.795 ( 0.000 0.000 -0.564) 0.564 1.998 ( 0.000 0.000 -9.921) 9.921 2.449 ( 0.000 0.000 9.272) 9.272 3.293 ( 0.000 0.000 -0.119) 0.119 3.306 ( 0.000 0.000 -0.422) 0.422 3.386 ( 0.000 0.000 -15.195) 15.195 3.819 ( 0.000 0.000 5.109) 5.109 3.948 ( 0.000 0.000 0.373) 0.373 3.965 ( 0.000 0.000 -0.062) 0.062 4.023 ( 0.000 0.000 3.506) 3.506 4.218 ( 0.000 0.000 0.053) 0.053 4.229 ( 0.000 0.000 -0.211) 0.211 4.333 ( 0.000 0.000 26.316) 26.316 4.432 ( 0.000 0.000 2.168) 2.168 4.593 ( 0.000 0.000 -3.318) 3.318 4.878 ( 0.000 0.000 8.845) 8.845 4.988 ( 0.000 0.000 2.859) 2.859 5.270 ( 0.000 0.000 3.013) 3.013 5.371 ( 0.000 0.000 1.396) 1.396 5.624 ( 0.000 0.000 -5.518) 5.518 6.212 ( 0.000 0.000 1.419) 1.419 6.373 ( 0.000 0.000 -2.198) 2.198 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 0.000 13.160) 13.160 0.635 ( 0.000 0.000 14.647) 14.647 0.692 ( 0.000 0.000 -11.829) 11.829 0.862 ( 0.000 0.000 -10.035) 10.035 1.020 ( 0.000 0.000 14.182) 14.182 1.206 ( 0.000 0.000 -7.828) 7.828 1.365 ( 0.000 0.000 0.592) 0.592 1.378 ( 0.000 0.000 13.481) 13.481 1.380 ( 0.000 0.000 -1.077) 1.077 1.513 ( 0.000 0.000 0.969) 0.969 1.527 ( 0.000 0.000 -0.569) 0.569 1.565 ( 0.000 0.000 -3.954) 3.954 1.661 ( 0.000 0.000 -2.689) 2.689 1.666 ( 0.000 0.000 -1.249) 1.249 1.971 ( 0.000 0.000 2.535) 2.535 2.022 ( 0.000 0.000 -2.627) 2.627 2.613 ( 0.000 0.000 15.616) 15.616 2.977 ( 0.000 0.000 -22.567) 22.567 3.296 ( 0.000 0.000 -0.055) 0.055 3.298 ( 0.000 0.000 -0.255) 0.255 3.880 ( 0.000 0.000 4.814) 4.814 3.944 ( 0.000 0.000 0.425) 0.425 3.950 ( 0.000 0.000 -0.220) 0.220 3.976 ( 0.000 0.000 -5.546) 5.546 4.212 ( 0.000 0.000 0.187) 0.187 4.216 ( 0.000 0.000 -0.183) 0.183 4.468 ( 0.000 0.000 3.948) 3.948 4.548 ( 0.000 0.000 -4.567) 4.567 4.948 ( 0.000 0.000 5.223) 5.223 4.998 ( 0.000 0.000 -0.339) 0.339 5.404 ( 0.000 0.000 4.347) 4.347 5.472 ( 0.000 0.000 4.459) 4.459 5.525 ( 0.000 0.000 -7.817) 7.817 5.556 ( 0.000 0.000 -3.899) 3.899 6.094 ( 0.000 0.000 1.839) 1.839 6.119 ( 0.000 0.000 -0.999) 0.999 ======================= Grid point 303 (88/129) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 7.868 -1.154 10.532) 13.197 0.713 ( 5.493 -1.843 5.135) 7.743 0.759 ( 6.812 -0.727 -2.906) 7.442 0.927 ( 5.322 -1.123 -9.128) 10.626 1.099 ( 6.773 -1.240 9.602) 11.816 1.225 ( 2.112 -0.387 -5.179) 5.607 1.391 ( 1.797 0.131 11.069) 11.215 1.466 ( 6.436 0.599 1.096) 6.556 1.480 ( 6.360 0.494 -1.465) 6.546 1.528 ( 1.136 -0.062 -2.503) 2.750 1.587 ( 1.122 0.560 2.138) 2.479 1.618 ( 9.361 0.362 -0.660) 9.391 1.645 ( 1.652 0.376 0.282) 1.718 1.700 ( 8.219 -0.186 -4.838) 9.538 1.943 ( -2.100 0.780 2.611) 3.441 1.995 ( -2.254 0.585 -2.615) 3.501 2.619 ( 0.440 -0.587 15.949) 15.966 2.978 ( 0.094 -0.565 -21.488) 21.495 3.339 ( 3.769 -0.028 0.122) 3.771 3.347 ( 4.730 -0.057 -1.062) 4.848 3.790 ( -4.209 -0.301 2.242) 4.778 3.824 ( -4.912 -0.419 -1.462) 5.142 4.051 ( 5.240 0.097 1.353) 5.412 4.082 ( 2.839 0.224 -1.902) 3.424 4.252 ( 3.641 -0.060 0.465) 3.671 4.260 ( 3.873 -0.059 -0.348) 3.890 4.509 ( 3.494 0.037 3.218) 4.751 4.577 ( 2.734 0.151 -4.002) 4.849 4.932 ( -1.716 -0.347 5.658) 5.923 4.989 ( -0.982 -0.156 -0.748) 1.244 5.393 ( -1.401 0.068 4.613) 4.822 5.418 ( -4.373 1.887 5.794) 7.500 5.512 ( -1.236 2.635 -6.545) 7.163 5.524 ( -1.066 1.712 -7.023) 7.307 6.063 ( -3.121 -0.958 2.061) 3.861 6.089 ( -3.371 -1.704 -0.782) 3.858 ======================= Grid point 304 (89/129) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 10.328 1.450 7.020) 12.572 0.842 ( 6.386 -1.208 -0.438) 6.514 0.926 ( 8.709 0.176 1.911) 8.918 1.044 ( 5.162 -0.921 -7.337) 9.018 1.242 ( 5.501 -1.359 2.729) 6.289 1.279 ( 2.279 -0.679 -1.191) 2.659 1.446 ( 3.633 0.358 7.451) 8.297 1.535 ( 1.189 1.077 -2.851) 3.272 1.566 ( 3.322 1.343 0.936) 3.704 1.575 ( 4.384 -0.225 -0.371) 4.406 1.614 ( 4.081 0.201 0.601) 4.130 1.642 ( 1.920 -0.258 -2.031) 2.807 1.886 ( -1.122 0.108 3.407) 3.588 1.931 ( -1.198 0.646 -1.676) 2.159 2.000 ( 20.118 -0.456 1.430) 20.174 2.041 ( 21.201 -0.015 -2.392) 21.335 2.637 ( 1.115 -0.657 16.890) 16.939 2.991 ( 0.919 -0.693 -19.752) 19.786 3.427 ( 4.452 -0.143 1.270) 4.632 3.458 ( 5.573 -0.245 -2.499) 6.113 3.738 ( -1.381 -0.658 1.537) 2.168 3.769 ( -1.495 -0.863 -1.885) 2.556 4.098 ( -0.280 0.164 0.951) 1.005 4.116 ( 1.663 0.005 -1.095) 1.991 4.326 ( 2.946 -0.051 0.507) 2.990 4.331 ( 2.566 -0.041 0.072) 2.567 4.580 ( 3.431 0.106 2.640) 4.330 4.636 ( 2.751 0.269 -3.363) 4.353 4.889 ( -2.635 -0.593 6.968) 7.473 4.962 ( -1.742 -0.271 -1.474) 2.297 5.305 ( -5.720 1.442 7.824) 9.799 5.335 ( -4.295 0.030 3.849) 5.768 5.470 ( -1.172 3.446 -6.547) 7.490 5.499 ( -1.616 0.417 -8.934) 9.089 6.003 ( -2.479 0.007 2.133) 3.270 6.022 ( -3.302 -0.442 0.197) 3.337 ======================= Grid point 305 (90/129) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 7.650 3.015 3.473) 8.926 0.951 ( 3.859 0.591 0.200) 3.909 1.081 ( 7.237 1.941 0.841) 7.540 1.129 ( 3.878 1.238 -3.743) 5.530 1.300 ( 0.514 1.577 1.146) 2.017 1.318 ( 2.296 1.318 -0.687) 2.735 1.505 ( 2.570 1.596 2.868) 4.169 1.542 ( -0.036 0.808 -1.538) 1.737 1.627 ( 3.982 0.542 1.657) 4.347 1.657 ( 3.578 -0.439 -1.589) 3.939 1.738 ( 6.688 -1.519 -0.017) 6.859 1.745 ( 7.185 -1.903 -0.717) 7.467 1.864 ( -0.599 -2.409 2.275) 3.367 1.894 ( -1.597 -2.672 -1.083) 3.296 2.439 ( 21.391 -0.024 2.674) 21.557 2.480 ( 21.534 0.232 -1.787) 21.609 2.668 ( 1.682 -0.246 18.052) 18.132 3.020 ( 1.648 -0.317 -18.341) 18.417 3.488 ( 0.928 -0.089 2.772) 2.925 3.539 ( 1.968 -0.079 -2.897) 3.503 3.738 ( 0.765 -0.654 0.231) 1.033 3.763 ( 0.463 -0.611 -2.394) 2.514 4.089 ( -0.356 -0.053 1.723) 1.760 4.128 ( -0.350 -0.142 -2.596) 2.624 4.352 ( -0.005 0.021 0.602) 0.602 4.357 ( 0.489 -0.004 0.049) 0.492 4.639 ( 2.455 0.089 1.916) 3.116 4.673 ( 1.300 0.222 -2.063) 2.449 4.846 ( -1.682 -0.469 8.109) 8.295 4.930 ( -1.492 -0.263 -1.299) 1.996 5.189 ( -5.208 0.810 7.854) 9.459 5.236 ( -5.370 0.418 1.765) 5.669 5.412 ( -3.655 0.520 -5.320) 6.476 5.451 ( -2.959 0.214 -8.680) 9.173 5.972 ( -0.417 1.982 2.262) 3.036 5.991 ( 0.640 1.210 0.301) 1.402 ======================= Grid point 306 (91/129) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.484 2.259 0.874) 2.470 0.995 ( 1.460 2.690 -0.908) 3.193 1.171 ( 2.213 1.982 1.961) 3.560 1.189 ( 1.827 1.604 0.137) 2.435 1.299 ( 2.675 5.293 2.406) 6.400 1.350 ( 3.320 4.627 -2.890) 6.386 1.530 ( 0.437 1.097 0.625) 1.336 1.547 ( 1.785 1.282 -0.870) 2.364 1.707 ( 3.147 -1.449 0.984) 3.601 1.725 ( 2.222 -2.655 -1.025) 3.611 1.850 ( 1.938 -2.873 0.767) 3.550 1.866 ( 3.697 -2.871 -0.914) 4.769 1.904 ( 2.868 -3.088 1.493) 4.471 1.930 ( 4.441 -2.540 -1.380) 5.299 2.700 ( 1.575 0.186 19.610) 19.674 2.802 ( 14.271 -0.270 2.490) 14.489 2.845 ( 14.459 -0.052 -2.108) 14.612 3.056 ( 1.869 0.215 -17.522) 17.622 3.447 ( -4.877 0.142 3.969) 6.289 3.527 ( -3.412 0.221 -4.589) 5.723 3.760 ( 1.294 -0.116 0.579) 1.422 3.796 ( 2.682 -0.009 -3.155) 4.141 4.093 ( 0.900 -0.077 0.881) 1.262 4.121 ( 0.380 -0.065 -2.198) 2.232 4.361 ( 1.730 -0.117 1.661) 2.401 4.379 ( 2.375 -0.098 -0.361) 2.404 4.677 ( 1.629 0.126 3.033) 3.445 4.691 ( 0.559 0.184 0.101) 0.597 4.825 ( -0.993 -0.189 7.165) 7.236 4.899 ( -2.086 -0.263 0.560) 2.176 5.092 ( -4.070 0.520 3.203) 5.205 5.122 ( -5.778 0.527 -0.349) 5.813 5.336 ( -3.633 -0.309 -2.589) 4.471 5.389 ( -3.006 -0.162 -7.860) 8.417 5.962 ( 0.374 2.318 3.721) 4.400 6.011 ( 1.661 1.776 -1.587) 2.904 ======================= Grid point 307 (92/129) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.994 2.131 1.189) 2.635 0.985 ( -0.534 1.861 -2.046) 2.817 1.160 ( -1.010 1.451 2.403) 2.984 1.175 ( -1.144 1.815 0.813) 2.295 1.356 ( 4.116 3.963 3.385) 6.641 1.407 ( 3.702 2.960 -2.287) 5.263 1.533 ( 0.359 0.518 0.911) 1.108 1.575 ( 1.392 1.194 -3.304) 3.779 1.746 ( 0.167 -2.452 0.772) 2.576 1.761 ( -0.532 -3.731 -0.848) 3.863 1.908 ( 3.140 -0.704 1.151) 3.418 1.932 ( 2.721 -0.304 -1.187) 2.984 1.981 ( 2.230 -2.683 1.558) 3.821 2.013 ( 1.905 -2.130 -1.725) 3.337 2.721 ( 0.741 0.368 20.273) 20.289 2.999 ( 5.665 -0.293 2.249) 6.102 3.038 ( 5.395 -0.324 -3.037) 6.199 3.090 ( 1.695 0.510 -16.887) 16.980 3.329 ( -5.567 0.236 3.874) 6.787 3.418 ( -6.030 0.186 -5.853) 8.406 3.802 ( 2.529 0.260 2.505) 3.569 3.856 ( 2.814 0.241 -3.598) 4.575 4.118 ( 1.208 0.013 0.865) 1.486 4.150 ( 1.943 0.018 -2.591) 3.239 4.432 ( 5.062 -0.166 2.956) 5.864 4.467 ( 6.352 -0.073 -0.813) 6.404 4.688 ( -0.836 0.168 1.174) 1.451 4.694 ( -0.698 0.007 2.015) 2.132 4.804 ( -0.719 -0.076 8.989) 9.018 4.838 ( -4.061 -0.278 5.839) 7.118 5.009 ( -5.036 0.412 -3.199) 5.980 5.035 ( -1.493 0.323 -5.152) 5.374 5.279 ( -2.091 -0.182 0.170) 2.106 5.342 ( -1.664 -0.114 -6.858) 7.058 5.957 ( 0.031 1.435 4.797) 5.007 6.027 ( 0.755 1.151 -2.968) 3.272 ======================= Grid point 308 (93/129) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 -0.000 1.624) 1.624 0.973 ( 0.000 -0.000 -2.290) 2.290 1.145 ( 0.000 -0.000 1.965) 1.965 1.155 ( 0.000 -0.000 1.078) 1.078 1.389 ( 0.000 -0.000 4.033) 4.033 1.439 ( 0.000 -0.000 -1.465) 1.465 1.537 ( 0.000 -0.000 0.654) 0.654 1.585 ( 0.000 -0.000 -4.520) 4.520 1.757 ( 0.000 -0.000 -0.032) 0.032 1.758 ( 0.000 -0.000 -0.088) 0.088 1.954 ( -0.000 -0.000 0.868) 0.868 1.958 ( 0.000 -0.000 0.300) 0.300 2.012 ( 0.000 0.000 0.254) 0.254 2.030 ( 0.000 -0.000 -1.603) 1.603 2.727 ( 0.000 -0.000 20.635) 20.635 3.051 ( 0.000 -0.000 1.424) 1.424 3.092 ( -0.000 0.000 -1.878) 1.878 3.104 ( 0.000 -0.000 -18.376) 18.376 3.268 ( 0.000 -0.000 3.552) 3.552 3.347 ( 0.000 -0.000 -4.868) 4.868 3.830 ( 0.000 -0.000 2.623) 2.623 3.885 ( 0.000 -0.000 -3.576) 3.576 4.131 ( 0.000 -0.000 1.214) 1.214 4.173 ( 0.000 -0.000 -3.240) 3.240 4.511 ( 0.000 -0.000 4.592) 4.592 4.582 ( -0.000 -0.000 -3.254) 3.254 4.641 ( 0.000 -0.000 2.441) 2.441 4.664 ( 0.000 -0.000 -0.912) 0.912 4.785 ( 0.000 -0.000 9.676) 9.676 4.807 ( 0.000 -0.000 13.263) 13.263 4.947 ( 0.000 -0.000 -6.744) 6.744 5.022 ( 0.000 -0.000 -8.823) 8.823 5.258 ( 0.000 -0.000 1.494) 1.494 5.326 ( 0.000 -0.000 -6.434) 6.434 5.952 ( 0.000 -0.000 5.186) 5.186 6.031 ( 0.000 -0.000 -3.448) 3.448 ======================= Grid point 316 (94/129) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 11.022 -0.000 6.533) 12.813 0.834 ( 6.797 -0.000 1.494) 6.959 0.928 ( 9.348 -0.000 0.610) 9.368 1.038 ( 5.701 -0.000 -7.362) 9.311 1.234 ( 5.966 -0.000 2.824) 6.601 1.274 ( 2.268 -0.000 -1.499) 2.718 1.448 ( 3.673 -0.000 7.600) 8.441 1.542 ( 0.426 -0.000 -3.291) 3.318 1.573 ( 4.923 -0.000 0.193) 4.927 1.574 ( 3.589 -0.000 0.201) 3.595 1.615 ( 3.574 -0.000 0.735) 3.649 1.640 ( 1.970 -0.000 -1.672) 2.584 1.886 ( -1.996 0.000 3.711) 4.214 1.935 ( -3.248 0.000 -1.632) 3.635 1.998 ( 21.411 -0.000 1.426) 21.458 2.041 ( 21.611 -0.000 -2.570) 21.763 2.634 ( 1.256 -0.000 16.787) 16.834 2.987 ( 1.046 -0.000 -19.820) 19.847 3.426 ( 4.447 -0.000 1.245) 4.618 3.457 ( 5.580 -0.000 -2.469) 6.102 3.735 ( -1.352 0.000 1.476) 2.002 3.764 ( -1.415 0.000 -1.848) 2.327 4.099 ( -0.359 0.000 0.875) 0.946 4.116 ( 1.604 -0.000 -1.081) 1.934 4.326 ( 2.979 -0.000 0.504) 3.022 4.330 ( 2.588 -0.000 0.055) 2.589 4.580 ( 3.425 -0.000 2.665) 4.340 4.638 ( 2.730 -0.000 -3.431) 4.385 4.885 ( -2.590 0.000 7.038) 7.500 4.960 ( -1.725 0.000 -1.558) 2.324 5.312 ( -6.101 0.000 8.081) 10.126 5.335 ( -4.187 0.000 3.880) 5.708 5.487 ( -2.544 0.000 -8.000) 8.394 5.503 ( -1.571 0.000 -8.515) 8.659 6.003 ( -1.886 0.000 2.167) 2.873 6.019 ( -2.745 0.000 0.410) 2.775 ======================= Grid point 317 (95/129) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 7.349 1.606 2.401) 7.896 0.952 ( 4.588 -0.318 1.342) 4.791 1.098 ( 7.452 1.056 0.798) 7.568 1.140 ( 4.590 0.582 -3.378) 5.728 1.309 ( 1.699 0.274 0.768) 1.884 1.325 ( 3.718 0.108 -0.899) 3.827 1.517 ( 2.994 0.571 2.488) 3.935 1.547 ( 0.093 0.193 -1.243) 1.261 1.636 ( 3.327 0.751 1.197) 3.615 1.657 ( 3.221 0.157 -1.058) 3.394 1.727 ( 5.971 -0.563 -0.159) 6.000 1.731 ( 6.411 -0.679 -0.580) 6.473 1.844 ( -1.139 -1.119 2.292) 2.793 1.872 ( -2.346 -1.277 -0.834) 2.798 2.439 ( 21.289 -0.001 2.804) 21.472 2.482 ( 21.466 0.090 -1.877) 21.548 2.666 ( 1.913 -0.087 17.948) 18.050 3.018 ( 1.879 -0.116 -18.354) 18.451 3.487 ( 1.003 -0.037 2.782) 2.958 3.538 ( 2.107 -0.033 -2.901) 3.585 3.733 ( 0.923 -0.238 0.266) 0.989 3.758 ( 0.717 -0.225 -2.412) 2.526 4.088 ( -0.406 -0.018 1.630) 1.680 4.127 ( -0.339 -0.051 -2.611) 2.633 4.352 ( -0.028 0.011 0.587) 0.588 4.357 ( 0.483 -0.002 0.037) 0.485 4.639 ( 2.446 0.037 1.972) 3.142 4.675 ( 1.252 0.091 -2.129) 2.471 4.843 ( -1.524 -0.177 8.126) 8.269 4.928 ( -1.452 -0.100 -1.400) 2.020 5.195 ( -5.460 0.291 8.194) 9.850 5.239 ( -5.326 0.121 2.010) 5.693 5.415 ( -4.295 0.138 -5.806) 7.223 5.453 ( -3.264 0.120 -9.045) 9.616 5.988 ( -0.293 0.854 1.936) 2.137 5.999 ( 1.134 0.355 0.672) 1.365 ======================= Grid point 318 (96/129) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.540 1.056 1.025) 1.568 1.017 ( 1.176 1.530 -1.430) 2.402 1.188 ( 1.996 1.295 2.093) 3.169 1.205 ( 1.864 1.239 0.487) 2.291 1.346 ( 3.175 3.385 1.823) 4.986 1.390 ( 3.515 2.796 -2.760) 5.272 1.543 ( 0.209 1.213 0.899) 1.524 1.564 ( 2.499 1.779 -0.987) 3.222 1.692 ( 1.528 -1.268 0.341) 2.015 1.696 ( 0.674 -2.549 -0.210) 2.645 1.817 ( 2.305 -2.868 0.999) 3.813 1.838 ( 4.236 -2.200 -1.121) 4.903 1.882 ( 3.774 -1.136 1.514) 4.221 1.910 ( 4.727 -1.242 -1.524) 5.120 2.701 ( 1.768 0.104 19.728) 19.808 2.800 ( 14.144 -0.137 2.563) 14.375 2.844 ( 14.314 -0.027 -2.192) 14.481 3.058 ( 2.047 0.124 -17.485) 17.605 3.448 ( -4.789 0.078 4.041) 6.267 3.528 ( -3.360 0.123 -4.589) 5.689 3.759 ( 1.592 -0.066 0.690) 1.737 3.795 ( 2.919 -0.005 -3.154) 4.298 4.093 ( 0.937 -0.045 0.858) 1.271 4.120 ( 0.421 -0.040 -2.221) 2.261 4.360 ( 1.672 -0.067 1.676) 2.368 4.378 ( 2.342 -0.059 -0.368) 2.371 4.678 ( 1.632 0.074 3.073) 3.480 4.692 ( 0.539 0.110 0.086) 0.557 4.823 ( -0.900 -0.109 7.095) 7.153 4.897 ( -2.096 -0.158 0.543) 2.171 5.097 ( -4.168 0.300 3.468) 5.430 5.126 ( -5.820 0.280 -0.138) 5.828 5.333 ( -3.647 -0.110 -2.797) 4.597 5.387 ( -3.055 -0.137 -8.170) 8.724 5.982 ( 0.045 1.352 3.477) 3.731 6.026 ( 1.474 1.005 -1.328) 2.224 ======================= Grid point 319 (97/129) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -1.466 1.543 0.958) 2.334 1.003 ( -1.185 1.422 -2.060) 2.770 1.177 ( -1.335 1.671 2.719) 3.459 1.196 ( -1.332 1.907 0.782) 2.454 1.385 ( 1.326 1.506 2.687) 3.353 1.432 ( 1.800 1.637 -2.442) 3.447 1.541 ( 0.023 1.034 1.849) 2.118 1.593 ( 1.295 2.203 -3.233) 4.121 1.723 ( 1.140 -2.534 -0.049) 2.779 1.724 ( 1.076 -2.448 -0.140) 2.678 1.899 ( 4.212 -1.010 1.247) 4.507 1.928 ( 3.728 -0.476 -1.736) 4.140 1.956 ( 2.496 -1.921 1.937) 3.697 1.993 ( 2.286 -1.641 -1.928) 3.411 2.724 ( 0.656 0.236 20.382) 20.394 2.996 ( 5.821 -0.161 2.418) 6.306 3.035 ( 5.310 -0.248 -3.284) 6.248 3.095 ( 1.717 0.345 -16.794) 16.885 3.332 ( -5.615 0.174 3.938) 6.861 3.419 ( -6.135 0.128 -5.712) 8.383 3.804 ( 2.515 0.194 2.552) 3.588 3.858 ( 2.775 0.178 -3.537) 4.499 4.118 ( 1.233 0.007 0.857) 1.501 4.150 ( 1.966 0.008 -2.599) 3.259 4.430 ( 5.104 -0.117 3.007) 5.925 4.466 ( 6.424 -0.057 -0.848) 6.480 4.690 ( -0.870 0.121 1.092) 1.402 4.695 ( -0.822 0.005 2.023) 2.184 4.803 ( -0.661 -0.051 8.947) 8.972 4.835 ( -4.009 -0.213 5.857) 7.101 5.012 ( -5.158 0.306 -3.102) 6.026 5.038 ( -1.625 0.230 -4.946) 5.212 5.278 ( -1.989 -0.104 0.098) 1.994 5.341 ( -1.595 -0.102 -6.996) 7.176 5.970 ( -0.608 1.052 4.664) 4.819 6.038 ( 0.259 0.835 -2.813) 2.945 ======================= Grid point 320 (98/129) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.229 0.398 1.536) 2.007 0.974 ( -0.986 0.252 -2.276) 2.493 1.150 ( -0.461 0.823 2.055) 2.261 1.160 ( -1.038 0.824 1.131) 1.742 1.373 ( -2.855 -2.702 4.030) 5.630 1.431 ( -2.061 -1.562 -2.219) 3.407 1.535 ( -0.337 -0.144 1.222) 1.275 1.591 ( -0.554 0.834 -4.557) 4.666 1.755 ( 1.816 0.574 0.965) 2.135 1.773 ( 2.918 1.936 -0.903) 3.616 1.953 ( -0.799 -0.169 0.958) 1.259 1.959 ( 0.444 0.068 0.217) 0.499 2.010 ( 1.585 -0.311 0.155) 1.622 2.027 ( 1.413 -0.595 -1.544) 2.176 2.727 ( -0.283 -0.061 20.646) 20.648 3.052 ( 0.197 0.135 1.557) 1.575 3.090 ( 0.545 -0.301 -3.804) 3.855 3.106 ( -0.741 0.197 -16.608) 16.625 3.268 ( -0.158 -0.006 3.566) 3.569 3.347 ( -0.061 -0.007 -4.864) 4.864 3.830 ( -0.193 0.003 2.621) 2.629 3.885 ( -0.167 -0.003 -3.575) 3.579 4.131 ( -0.031 -0.007 1.213) 1.214 4.172 ( -0.033 -0.007 -3.242) 3.242 4.511 ( 0.122 0.010 4.591) 4.593 4.582 ( -0.182 0.001 -3.247) 3.252 4.641 ( 0.302 0.011 2.431) 2.450 4.664 ( -0.130 -0.003 -0.907) 0.917 4.785 ( 0.180 0.001 9.675) 9.676 4.807 ( 0.038 -0.023 13.250) 13.250 4.947 ( -0.291 0.010 -6.731) 6.738 5.022 ( -0.175 -0.000 -8.822) 8.824 5.258 ( 0.074 -0.000 1.493) 1.495 5.326 ( 0.052 0.000 -6.434) 6.434 5.952 ( -0.772 0.005 5.185) 5.242 6.031 ( -0.627 0.004 -3.447) 3.504 ======================= Grid point 321 (99/129) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.136 -2.015 1.470) 2.498 0.966 ( -0.351 -1.724 -2.107) 2.745 1.148 ( 0.218 -0.963 2.284) 2.488 1.161 ( 0.857 -0.906 0.812) 1.489 1.308 ( -5.442 -4.918 4.002) 8.356 1.371 ( -5.009 -3.668 -2.900) 6.852 1.530 ( -0.238 -0.099 0.592) 0.646 1.567 ( -1.666 -0.360 -3.259) 3.678 1.773 ( 0.164 2.428 1.469) 2.843 1.799 ( 0.436 3.311 -1.360) 3.606 1.913 ( -2.223 0.402 1.147) 2.533 1.935 ( -1.862 0.361 -1.115) 2.200 2.009 ( -1.268 2.508 1.345) 3.116 2.035 ( -1.102 1.838 -1.364) 2.541 2.717 ( -0.822 -0.427 20.162) 20.183 3.002 ( -5.527 0.390 2.105) 5.927 3.042 ( -5.466 0.309 -2.762) 6.132 3.085 ( -1.651 -0.570 -17.062) 17.151 3.327 ( 5.510 -0.234 3.798) 6.696 3.416 ( 5.907 -0.198 -6.005) 8.425 3.799 ( -2.544 -0.255 2.452) 3.542 3.853 ( -2.857 -0.240 -3.665) 4.653 4.118 ( -1.177 -0.018 0.869) 1.463 4.150 ( -1.918 -0.026 -2.584) 3.218 4.434 ( -5.017 0.172 2.891) 5.793 4.467 ( -6.274 0.066 -0.765) 6.320 4.686 ( 0.797 -0.170 1.269) 1.508 4.694 ( 0.547 -0.008 2.005) 2.078 4.805 ( 0.781 0.082 9.049) 9.083 4.841 ( 4.134 0.263 5.822) 7.146 5.004 ( 4.899 -0.404 -3.323) 5.934 5.031 ( 1.325 -0.332 -5.388) 5.559 5.282 ( 2.267 0.234 0.216) 2.289 5.343 ( 1.707 0.081 -6.656) 6.872 5.941 ( -0.771 -1.432 4.937) 5.197 6.015 ( -1.344 -1.163 -3.144) 3.612 ======================= Grid point 322 (100/129) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.858 -3.196 1.000) 3.457 0.964 ( -1.523 -3.045 -0.671) 3.470 1.148 ( -2.370 -2.263 2.007) 3.843 1.174 ( -1.886 -1.361 -0.555) 2.391 1.242 ( -1.891 -5.246 3.136) 6.398 1.300 ( -3.218 -4.584 -2.937) 6.323 1.520 ( -1.482 -0.797 0.622) 1.794 1.537 ( -0.984 -0.584 -1.131) 1.609 1.721 ( -4.245 0.998 1.437) 4.592 1.749 ( -3.571 1.692 -1.660) 4.286 1.877 ( -1.366 2.439 1.088) 3.000 1.895 ( -2.841 2.507 -0.862) 3.885 1.942 ( -2.475 3.927 0.965) 4.741 1.961 ( -4.257 3.143 -1.009) 5.387 2.698 ( -1.306 -0.225 19.442) 19.487 2.806 ( -14.422 0.367 2.379) 14.621 2.846 ( -14.652 0.069 -1.985) 14.786 3.053 ( -1.609 -0.248 -17.569) 17.644 3.445 ( 4.989 -0.175 3.866) 6.314 3.524 ( 3.484 -0.266 -4.596) 5.773 3.761 ( -0.887 0.136 0.427) 0.994 3.796 ( -2.362 0.010 -3.154) 3.940 4.094 ( -0.851 0.088 0.909) 1.248 4.122 ( -0.322 0.068 -2.168) 2.193 4.363 ( -1.809 0.136 1.638) 2.444 4.380 ( -2.417 0.107 -0.349) 2.444 4.676 ( -1.620 -0.145 2.985) 3.400 4.689 ( -0.565 -0.199 0.120) 0.611 4.827 ( 1.113 0.216 7.263) 7.351 4.902 ( 2.066 0.287 0.596) 2.170 5.086 ( 3.919 -0.610 2.844) 4.880 5.116 ( 5.679 -0.668 -0.630) 5.752 5.340 ( 3.673 0.586 -2.419) 4.437 5.390 ( 2.888 0.024 -7.304) 7.854 5.936 ( -0.767 -2.636 3.989) 4.842 5.990 ( -1.940 -2.108 -1.915) 3.446 ======================= Grid point 323 (101/129) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -7.228 -3.246 4.298) 9.014 0.939 ( -3.077 -1.671 -1.305) 3.737 1.063 ( -6.426 -1.361 1.178) 6.674 1.116 ( -3.120 -1.262 -3.862) 5.123 1.274 ( 0.901 -3.287 1.613) 3.770 1.295 ( -0.653 -3.028 -0.468) 3.133 1.485 ( -2.455 -2.020 3.648) 4.838 1.534 ( -0.165 -0.612 -1.942) 2.043 1.625 ( -4.466 0.030 1.823) 4.824 1.664 ( -3.948 0.597 -2.298) 4.607 1.760 ( -7.398 2.861 0.377) 7.941 1.772 ( -7.754 3.327 -0.884) 8.484 1.889 ( -0.389 2.230 2.196) 3.154 1.922 ( 0.347 2.382 -1.375) 2.773 2.440 ( -21.544 0.081 2.441) 21.682 2.477 ( -21.646 -0.283 -1.634) 21.709 2.671 ( -1.295 0.363 18.224) 18.274 3.024 ( -1.260 0.435 -18.309) 18.358 3.489 ( -0.801 0.095 2.750) 2.865 3.540 ( -1.737 0.084 -2.898) 3.380 3.747 ( -0.485 0.906 0.158) 1.040 3.771 ( -0.031 0.825 -2.363) 2.503 4.089 ( 0.280 0.079 1.884) 1.906 4.130 ( 0.378 0.200 -2.572) 2.607 4.352 ( -0.013 -0.008 0.618) 0.618 4.357 ( -0.505 0.003 0.073) 0.510 4.638 ( -2.456 -0.090 1.837) 3.068 4.670 ( -1.359 -0.238 -1.959) 2.397 4.852 ( 1.939 0.612 8.085) 8.337 4.933 ( 1.560 0.335 -1.127) 1.953 5.179 ( 4.753 -1.156 7.286) 8.776 5.229 ( 5.338 -0.814 1.224) 5.536 5.404 ( 1.995 -0.993 -4.146) 4.707 5.449 ( 2.912 -0.051 -8.196) 8.698 5.949 ( 1.072 -2.320 2.512) 3.584 5.975 ( -0.030 -1.769 -0.119) 1.773 ======================= Grid point 324 (102/129) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -8.464 -0.603 7.465) 11.301 0.853 ( -5.339 0.616 -4.253) 6.853 0.930 ( -7.062 1.121 4.647) 8.528 1.054 ( -3.860 0.894 -6.985) 8.031 1.256 ( -4.034 0.921 2.457) 4.812 1.284 ( -1.715 -0.013 -0.506) 1.788 1.438 ( -3.347 -1.232 7.176) 8.013 1.524 ( -1.833 -1.062 -2.839) 3.542 1.553 ( -3.383 -0.682 2.427) 4.219 1.578 ( -4.330 0.420 -0.581) 4.389 1.614 ( -5.358 0.293 0.167) 5.368 1.645 ( -2.040 0.483 -2.751) 3.459 1.883 ( -0.832 -0.440 2.653) 2.815 1.921 ( -2.869 -1.387 -1.602) 3.566 2.007 ( -17.966 0.657 1.329) 18.027 2.041 ( -20.284 -0.011 -1.958) 20.378 2.647 ( -0.760 1.091 17.160) 17.211 3.001 ( -0.594 1.147 -19.573) 19.615 3.429 ( -4.459 0.237 1.335) 4.660 3.461 ( -5.548 0.407 -2.581) 6.133 3.748 ( 1.461 1.154 1.688) 2.513 3.781 ( 1.715 1.473 -1.988) 3.011 4.096 ( 0.069 -0.262 1.164) 1.195 4.116 ( -1.821 0.011 -1.129) 2.142 4.327 ( -2.851 0.136 0.503) 2.898 4.331 ( -2.496 0.088 0.128) 2.500 4.578 ( -3.451 -0.147 2.581) 4.312 4.632 ( -2.811 -0.396 -3.188) 4.269 4.897 ( 2.759 0.986 6.788) 7.394 4.966 ( 1.790 0.457 -1.252) 2.232 5.283 ( 4.571 -2.646 7.139) 8.880 5.333 ( 4.566 -0.565 3.260) 5.639 5.419 ( -1.779 -5.850 -3.106) 6.858 5.495 ( 1.454 -0.300 -9.233) 9.352 6.005 ( 3.943 0.381 1.932) 4.407 6.027 ( 4.715 0.580 -0.175) 4.754 ======================= Grid point 325 (103/129) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -5.317 3.759 10.037) 11.964 0.747 ( -4.235 4.061 -0.297) 5.875 0.776 ( -6.463 2.573 1.921) 7.217 0.948 ( -5.145 2.848 -8.762) 10.552 1.124 ( -6.567 3.339 8.511) 11.256 1.233 ( -1.993 1.070 -4.204) 4.774 1.388 ( -1.761 -0.635 10.602) 10.766 1.455 ( -5.885 -1.384 1.395) 6.205 1.470 ( -6.086 -1.480 -1.226) 6.382 1.529 ( -1.564 0.178 -2.144) 2.660 1.577 ( -0.923 -1.417 2.165) 2.747 1.611 ( -8.547 -0.920 -0.910) 8.645 1.639 ( -5.036 -0.668 0.653) 5.122 1.702 ( -6.200 0.077 -5.464) 8.265 1.928 ( 1.301 -2.109 2.632) 3.615 1.983 ( 1.650 -1.667 -3.078) 3.870 2.630 ( -0.256 1.511 16.232) 16.304 2.989 ( 0.044 1.465 -21.188) 21.238 3.339 ( -3.833 0.080 0.149) 3.837 3.348 ( -4.852 0.157 -1.096) 4.977 3.796 ( 4.053 0.848 2.374) 4.773 3.833 ( 4.661 1.163 -1.565) 5.052 4.049 ( -5.228 -0.241 1.241) 5.379 4.078 ( -2.908 -0.588 -1.768) 3.453 4.253 ( -3.641 0.185 0.476) 3.676 4.261 ( -3.854 0.175 -0.332) 3.872 4.508 ( -3.453 -0.095 3.143) 4.670 4.574 ( -2.715 -0.386 -3.849) 4.726 4.938 ( 1.717 0.927 5.493) 5.830 4.992 ( 0.981 0.415 -0.553) 1.200 5.367 ( 0.346 -7.197 6.173) 9.488 5.396 ( 2.279 -0.464 4.284) 4.875 5.449 ( 1.779 -7.251 -1.093) 7.545 5.516 ( 0.641 -0.466 -8.539) 8.575 6.081 ( 3.777 2.458 1.964) 4.916 6.119 ( 4.663 3.562 -1.886) 6.164 ======================= Grid point 326 (104/129) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 6.046 11.715) 13.183 0.652 ( 0.000 3.245 14.097) 14.465 0.708 ( 0.000 2.862 -11.185) 11.546 0.873 ( 0.000 1.993 -9.781) 9.982 1.033 ( 0.000 2.532 13.645) 13.877 1.211 ( 0.000 1.070 -7.455) 7.532 1.361 ( -0.000 -0.719 0.631) 0.957 1.377 ( -0.000 -0.518 -1.155) 1.266 1.378 ( -0.000 -0.016 13.365) 13.365 1.509 ( -0.000 -0.650 0.984) 1.180 1.524 ( -0.000 -0.583 -0.594) 0.832 1.563 ( -0.000 -0.430 -4.149) 4.172 1.633 ( -0.000 -2.962 0.766) 3.060 1.687 ( 0.000 1.624 -4.340) 4.634 1.958 ( -0.000 -2.324 2.574) 3.468 2.013 ( -0.000 -1.656 -3.116) 3.529 2.620 ( 0.000 1.296 15.779) 15.832 2.984 ( 0.000 1.202 -22.349) 22.382 3.296 ( -0.000 -0.050 -0.045) 0.067 3.298 ( -0.000 -0.013 -0.266) 0.266 3.880 ( 0.000 0.111 4.759) 4.760 3.945 ( 0.000 0.148 0.426) 0.451 3.951 ( 0.000 0.153 -0.222) 0.270 3.975 ( -0.000 -0.211 -5.427) 5.431 4.213 ( 0.000 0.096 0.187) 0.210 4.216 ( 0.000 0.107 -0.190) 0.218 4.468 ( -0.000 -0.018 3.895) 3.896 4.547 ( -0.000 -0.254 -4.482) 4.490 4.952 ( 0.000 0.654 5.144) 5.185 4.999 ( 0.000 0.294 -0.229) 0.373 5.393 ( -0.000 -3.580 4.916) 6.081 5.443 ( -0.000 -4.608 4.493) 6.436 5.510 ( -0.000 -6.509 -0.823) 6.561 5.525 ( -0.000 -0.380 -7.689) 7.699 6.107 ( 0.000 2.431 1.841) 3.049 6.146 ( 0.000 4.452 -2.333) 5.026 ======================= Grid point 329 (105/129) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.620 -0.000 1.115) 1.276 1.025 ( 1.044 -0.000 -1.672) 1.971 1.196 ( 1.900 -0.000 2.161) 2.877 1.212 ( 1.834 -0.000 0.609) 1.932 1.365 ( 3.293 -0.000 1.550) 3.640 1.405 ( 3.695 -0.000 -2.641) 4.542 1.551 ( 0.442 -0.000 1.110) 1.195 1.576 ( 3.147 -0.000 -1.278) 3.396 1.680 ( 0.090 -0.000 0.334) 0.346 1.686 ( -0.163 0.000 -0.099) 0.190 1.800 ( 2.802 -0.000 1.348) 3.109 1.825 ( 4.474 -0.000 -1.289) 4.656 1.876 ( 4.084 -0.000 1.387) 4.313 1.903 ( 4.856 -0.000 -1.525) 5.089 2.702 ( 1.838 -0.000 19.771) 19.856 2.800 ( 14.095 -0.000 2.588) 14.330 2.844 ( 14.260 -0.000 -2.221) 14.432 3.058 ( 2.109 -0.000 -17.472) 17.599 3.449 ( -4.756 0.000 4.066) 6.257 3.529 ( -3.342 0.000 -4.589) 5.677 3.759 ( 1.701 -0.000 0.730) 1.852 3.795 ( 3.007 -0.000 -3.154) 4.357 4.093 ( 0.951 -0.000 0.849) 1.275 4.120 ( 0.435 -0.000 -2.229) 2.271 4.360 ( 1.652 -0.000 1.680) 2.356 4.377 ( 2.329 -0.000 -0.370) 2.358 4.679 ( 1.632 -0.000 3.088) 3.493 4.693 ( 0.529 -0.000 0.081) 0.536 4.823 ( -0.865 0.000 7.069) 7.122 4.896 ( -2.098 0.000 0.538) 2.166 5.099 ( -4.201 0.000 3.566) 5.511 5.128 ( -5.829 0.000 -0.061) 5.829 5.333 ( -3.659 0.000 -2.886) 4.660 5.386 ( -3.067 0.000 -8.269) 8.819 5.990 ( -0.084 0.000 3.378) 3.379 6.031 ( 1.409 -0.000 -1.229) 1.870 ======================= Grid point 330 (106/129) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -1.629 0.549 0.856) 1.920 1.013 ( -1.505 0.522 -2.096) 2.633 1.192 ( -1.335 0.856 2.897) 3.303 1.211 ( -1.339 0.811 0.882) 1.797 1.392 ( -0.822 0.164 2.247) 2.398 1.441 ( 0.020 0.309 -3.104) 3.119 1.552 ( -0.675 0.700 2.875) 3.035 1.615 ( 0.351 1.452 -3.368) 3.684 1.697 ( 2.410 -1.597 0.760) 2.990 1.712 ( 3.600 -0.594 -0.778) 3.731 1.889 ( 5.028 -0.559 1.309) 5.225 1.922 ( 4.774 -0.518 -2.053) 5.223 1.944 ( 2.111 -0.442 2.007) 2.946 1.981 ( 2.288 -0.587 -1.951) 3.063 2.726 ( 0.600 0.080 20.450) 20.459 2.995 ( 5.927 -0.049 2.530) 6.445 3.034 ( 5.249 -0.094 -3.436) 6.274 3.097 ( 1.726 0.121 -16.754) 16.843 3.333 ( -5.642 0.064 3.973) 6.901 3.420 ( -6.195 0.045 -5.626) 8.369 3.805 ( 2.507 0.072 2.578) 3.597 3.859 ( 2.751 0.065 -3.501) 4.452 4.118 ( 1.245 0.002 0.850) 1.508 4.150 ( 1.979 0.002 -2.605) 3.272 4.429 ( 5.130 -0.042 3.035) 5.960 4.465 ( 6.467 -0.022 -0.865) 6.525 4.691 ( -0.892 0.044 1.043) 1.373 4.695 ( -0.889 0.002 2.030) 2.216 4.803 ( -0.625 -0.017 8.927) 8.949 4.834 ( -3.985 -0.080 5.869) 7.095 5.015 ( -5.231 0.113 -3.051) 6.057 5.039 ( -1.694 0.083 -4.826) 5.115 5.277 ( -1.949 -0.032 0.044) 1.950 5.340 ( -1.543 -0.041 -7.063) 7.229 5.978 ( -0.977 0.385 4.583) 4.701 6.044 ( -0.022 0.304 -2.721) 2.738 ======================= Grid point 331 (107/129) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -2.071 0.389 1.360) 2.508 0.977 ( -1.693 0.246 -2.249) 2.826 1.161 ( -0.829 1.136 2.193) 2.605 1.170 ( -1.826 0.906 1.327) 2.432 1.343 ( -4.412 -2.564 4.046) 6.512 1.410 ( -3.418 -1.926 -3.212) 5.071 1.535 ( -0.486 0.085 1.879) 1.943 1.599 ( -1.156 0.514 -4.668) 4.836 1.765 ( 3.464 1.032 1.638) 3.968 1.793 ( 4.022 1.499 -1.252) 4.471 1.951 ( -1.091 -0.195 1.129) 1.582 1.960 ( 0.461 0.048 0.061) 0.467 2.008 ( 2.795 -0.064 -0.203) 2.803 2.019 ( 2.538 -0.882 -1.298) 2.984 2.726 ( -0.492 -0.061 20.669) 20.675 3.054 ( 0.360 0.150 1.913) 1.953 3.087 ( 0.661 -0.264 -5.984) 6.026 3.108 ( -1.018 0.146 -14.836) 14.872 3.268 ( -0.275 -0.006 3.593) 3.604 3.347 ( -0.105 -0.007 -4.854) 4.855 3.830 ( -0.335 0.003 2.619) 2.640 3.885 ( -0.288 -0.003 -3.571) 3.583 4.131 ( -0.054 -0.007 1.211) 1.212 4.172 ( -0.058 -0.007 -3.246) 3.247 4.511 ( 0.211 0.010 4.590) 4.595 4.582 ( -0.315 0.001 -3.232) 3.247 4.641 ( 0.522 0.011 2.412) 2.468 4.664 ( -0.225 -0.003 -0.898) 0.926 4.785 ( 0.315 0.001 9.672) 9.677 4.807 ( 0.063 -0.023 13.225) 13.225 4.947 ( -0.503 0.010 -6.706) 6.725 5.022 ( -0.303 -0.000 -8.821) 8.827 5.258 ( 0.128 -0.000 1.493) 1.498 5.326 ( 0.090 0.000 -6.435) 6.435 5.952 ( -1.337 0.005 5.185) 5.354 6.031 ( -1.086 0.004 -3.446) 3.613 ======================= Grid point 332 (108/129) ======================= q-point: (-0.58 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.862 -1.325 1.655) 2.289 0.950 ( -1.236 -1.160 -2.187) 2.767 1.140 ( -0.765 -0.443 2.459) 2.613 1.157 ( 0.425 0.090 0.696) 0.820 1.259 ( -5.560 -4.169 4.470) 8.263 1.334 ( -5.300 -3.095 -3.587) 7.109 1.530 ( -0.089 0.069 0.463) 0.476 1.565 ( -2.096 -0.098 -3.169) 3.801 1.795 ( -0.444 1.677 1.960) 2.617 1.829 ( -0.305 2.219 -1.668) 2.792 1.917 ( -1.285 0.349 1.176) 1.776 1.939 ( -1.109 0.245 -1.136) 1.606 2.033 ( -0.231 1.917 0.983) 2.166 2.050 ( -0.220 1.009 -0.895) 1.367 2.713 ( -0.876 -0.354 20.085) 20.107 3.007 ( -5.455 0.365 2.072) 5.847 3.045 ( -5.507 0.218 -2.518) 6.060 3.079 ( -1.586 -0.474 -17.334) 17.413 3.325 ( 5.459 -0.171 3.730) 6.613 3.414 ( 5.797 -0.153 -6.128) 8.437 3.796 ( -2.557 -0.184 2.406) 3.515 3.851 ( -2.891 -0.175 -3.720) 4.714 4.118 ( -1.146 -0.016 0.869) 1.438 4.150 ( -1.897 -0.024 -2.579) 3.202 4.435 ( -4.982 0.130 2.831) 5.731 4.468 ( -6.210 0.045 -0.717) 6.252 4.685 ( 0.764 -0.126 1.351) 1.557 4.694 ( 0.409 -0.006 1.996) 2.038 4.806 ( 0.831 0.064 9.111) 9.149 4.843 ( 4.205 0.182 5.813) 7.177 5.000 ( 4.782 -0.289 -3.437) 5.896 5.028 ( 1.168 -0.248 -5.595) 5.721 5.284 ( 2.481 0.209 0.218) 2.499 5.344 ( 1.701 0.032 -6.437) 6.658 5.928 ( -1.411 -1.045 5.044) 5.341 6.004 ( -1.870 -0.860 -3.292) 3.883 ======================= Grid point 333 (109/129) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -1.146 -2.888 1.237) 3.345 0.932 ( -1.738 -2.823 -0.645) 3.377 1.124 ( -2.582 -2.321 2.020) 4.017 1.160 ( -2.415 -1.303 -1.455) 3.106 1.194 ( -0.921 -3.573 3.990) 5.435 1.259 ( -2.827 -3.098 -2.835) 5.062 1.513 ( -2.490 -0.533 0.767) 2.659 1.533 ( -0.355 -0.215 -1.485) 1.542 1.728 ( -4.938 0.487 1.685) 5.241 1.761 ( -4.619 0.749 -1.936) 5.064 1.902 ( -0.553 2.228 1.100) 2.545 1.918 ( -1.804 1.826 -0.709) 2.663 1.981 ( -2.892 3.143 0.546) 4.306 1.992 ( -4.204 2.634 -0.658) 5.005 2.695 ( -1.034 -0.206 19.268) 19.296 2.810 ( -14.545 0.369 2.253) 14.723 2.846 ( -14.839 0.067 -1.852) 14.954 3.051 ( -1.327 -0.215 -17.613) 17.664 3.444 ( 5.091 -0.161 3.759) 6.331 3.521 ( 3.558 -0.239 -4.609) 5.828 3.763 ( -0.480 0.119 0.277) 0.567 3.796 ( -2.047 0.008 -3.151) 3.757 4.095 ( -0.802 0.074 0.932) 1.232 4.122 ( -0.262 0.054 -2.138) 2.154 4.364 ( -1.888 0.118 1.611) 2.484 4.381 ( -2.455 0.087 -0.334) 2.479 4.674 ( -1.603 -0.124 2.946) 3.356 4.687 ( -0.546 -0.158 0.138) 0.585 4.829 ( 1.227 0.186 7.364) 7.468 4.905 ( 2.040 0.233 0.652) 2.154 5.080 ( 3.746 -0.546 2.481) 4.527 5.109 ( 5.524 -0.623 -0.896) 5.631 5.348 ( 3.845 0.820 -2.466) 4.641 5.389 ( 2.643 -0.236 -6.494) 7.015 5.910 ( -1.089 -2.237 4.162) 4.849 5.968 ( -2.245 -1.882 -2.213) 3.671 ======================= Grid point 334 (110/129) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -5.938 -2.198 4.415) 7.719 0.917 ( -2.236 -2.303 -2.224) 3.905 1.053 ( -5.145 -0.563 1.175) 5.308 1.102 ( -2.505 -1.520 -3.599) 4.641 1.235 ( 1.497 -3.919 2.190) 4.732 1.260 ( 0.205 -3.178 -0.369) 3.205 1.465 ( -2.705 -1.716 4.659) 5.654 1.530 ( -0.344 -0.112 -2.622) 2.647 1.625 ( -4.722 -0.051 1.732) 5.030 1.667 ( -4.199 0.021 -2.693) 4.988 1.796 ( -7.511 3.805 0.789) 8.457 1.813 ( -7.776 4.268 -1.032) 8.930 1.908 ( -1.554 1.216 2.035) 2.835 1.941 ( -1.072 1.192 -1.590) 2.257 2.441 ( -21.688 0.128 2.166) 21.796 2.474 ( -21.767 -0.249 -1.459) 21.817 2.675 ( -0.873 0.400 18.401) 18.426 3.029 ( -0.834 0.438 -18.262) 18.286 3.490 ( -0.660 0.067 2.716) 2.796 3.541 ( -1.487 0.059 -2.911) 3.269 3.756 ( -0.150 0.922 0.054) 0.936 3.779 ( 0.456 0.814 -2.324) 2.505 4.090 ( 0.204 0.087 2.072) 2.084 4.132 ( 0.421 0.207 -2.544) 2.587 4.352 ( 0.002 0.019 0.618) 0.618 4.357 ( -0.527 -0.001 0.106) 0.538 4.637 ( -2.433 -0.052 1.774) 3.012 4.668 ( -1.393 -0.157 -1.851) 2.322 4.858 ( 2.218 0.586 8.064) 8.384 4.937 ( 1.639 0.310 -0.931) 1.910 5.166 ( 4.198 -1.224 6.626) 7.939 5.219 ( 5.016 -1.170 0.482) 5.173 5.392 ( -0.220 -1.162 -2.317) 2.601 5.450 ( 3.171 0.127 -7.852) 8.469 5.926 ( 2.074 -1.961 2.488) 3.786 5.955 ( 0.705 -1.807 -0.427) 1.986 ======================= Grid point 335 (111/129) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -5.757 1.312 7.008) 9.164 0.857 ( -3.834 0.381 -5.973) 7.108 0.948 ( -5.188 2.034 5.437) 7.785 1.061 ( -2.476 0.448 -6.116) 6.613 1.254 ( -1.858 -1.291 2.208) 3.161 1.275 ( -0.476 -1.749 0.025) 1.813 1.421 ( -2.966 -1.837 7.667) 8.423 1.513 ( -1.782 -0.807 -1.844) 2.689 1.555 ( -2.906 0.712 1.448) 3.324 1.586 ( -5.294 1.174 -0.689) 5.466 1.622 ( -7.081 1.389 -0.010) 7.216 1.654 ( -3.364 1.241 -3.043) 4.702 1.876 ( -2.703 -0.941 1.799) 3.380 1.903 ( -5.987 -1.827 -1.365) 6.407 2.013 ( -17.034 0.462 1.163) 17.080 2.040 ( -19.573 -0.138 -1.474) 19.629 2.659 ( -0.341 1.192 17.506) 17.550 3.014 ( -0.200 1.249 -19.337) 19.378 3.432 ( -4.456 0.254 1.412) 4.681 3.466 ( -5.503 0.436 -2.695) 6.143 3.762 ( 1.575 1.362 1.854) 2.789 3.798 ( 2.022 1.668 -2.125) 3.374 4.093 ( -0.213 -0.268 1.466) 1.506 4.116 ( -2.030 0.040 -1.169) 2.343 4.329 ( -2.704 0.241 0.469) 2.755 4.332 ( -2.378 0.131 0.227) 2.392 4.577 ( -3.485 -0.109 2.526) 4.306 4.628 ( -2.899 -0.347 -2.969) 4.164 4.908 ( 2.935 1.097 6.566) 7.275 4.971 ( 1.866 0.522 -0.965) 2.165 5.250 ( 2.499 -3.401 6.087) 7.407 5.311 ( 2.314 -4.340 0.323) 4.929 5.366 ( -1.864 -3.016 3.130) 4.729 5.492 ( 1.160 -0.243 -9.294) 9.369 6.011 ( 5.660 0.740 1.598) 5.928 6.034 ( 6.414 0.620 -0.399) 6.456 ======================= Grid point 336 (112/129) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -2.071 6.155 8.523) 10.715 0.787 ( -1.787 3.572 -8.027) 8.966 0.817 ( -6.079 5.113 9.221) 12.170 0.983 ( -4.373 3.426 -8.060) 9.789 1.165 ( -5.623 4.159 6.747) 9.718 1.246 ( -1.612 1.312 -2.595) 3.325 1.377 ( -1.818 -1.505 9.646) 9.931 1.440 ( -5.777 -1.238 1.915) 6.210 1.450 ( -6.122 -2.077 -0.224) 6.469 1.532 ( -1.926 0.325 -1.232) 2.309 1.559 ( -0.810 -1.845 1.387) 2.446 1.601 ( -8.300 -0.938 -1.104) 8.426 1.633 ( -7.507 -0.462 0.676) 7.551 1.700 ( -4.659 -0.477 -6.008) 7.618 1.901 ( -0.021 -2.869 2.629) 3.891 1.961 ( 0.665 -2.565 -3.702) 4.553 2.648 ( 0.017 1.869 16.698) 16.802 3.007 ( 0.250 1.831 -20.709) 20.791 3.340 ( -3.942 0.114 0.189) 3.949 3.350 ( -5.062 0.209 -1.153) 5.196 3.807 ( 3.815 1.227 2.592) 4.773 3.848 ( 4.272 1.636 -1.739) 4.894 4.046 ( -5.197 -0.281 1.056) 5.311 4.070 ( -2.998 -0.753 -1.524) 3.446 4.256 ( -3.663 0.308 0.483) 3.707 4.264 ( -3.834 0.273 -0.296) 3.855 4.507 ( -3.396 -0.117 3.026) 4.550 4.569 ( -2.696 -0.472 -3.604) 4.525 4.950 ( 1.718 1.240 5.230) 5.643 4.997 ( 0.953 0.526 -0.150) 1.099 5.262 ( -3.698 -11.715 9.802) 15.717 5.368 ( 1.669 -5.886 -1.181) 6.231 5.404 ( 2.684 -0.479 4.394) 5.171 5.513 ( 0.933 -0.192 -7.644) 7.703 6.111 ( 4.659 3.080 2.042) 5.947 6.157 ( 6.035 3.592 -2.674) 7.515 ======================= Grid point 337 (113/129) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 9.357 8.666) 12.754 0.700 ( 0.000 5.618 12.741) 13.925 0.750 ( 0.000 4.827 -9.573) 10.721 0.903 ( 0.000 3.636 -9.102) 9.801 1.072 ( 0.000 4.680 12.116) 12.988 1.227 ( 0.000 1.752 -6.211) 6.453 1.349 ( -0.000 -1.542 0.738) 1.709 1.369 ( -0.000 -1.184 -1.377) 1.816 1.377 ( -0.000 -0.390 13.236) 13.241 1.500 ( -0.000 -1.064 1.036) 1.485 1.516 ( -0.000 -0.929 -0.666) 1.143 1.557 ( -0.000 -0.763 -4.335) 4.402 1.603 ( -0.000 -2.603 2.854) 3.863 1.697 ( 0.000 0.226 -5.931) 5.936 1.925 ( -0.000 -3.879 2.605) 4.673 1.988 ( -0.000 -2.985 -4.287) 5.224 2.638 ( 0.000 2.043 16.214) 16.342 3.001 ( 0.000 1.915 -21.790) 21.874 3.295 ( -0.000 -0.086 -0.017) 0.088 3.298 ( -0.000 -0.022 -0.297) 0.298 3.883 ( 0.000 0.342 4.626) 4.639 3.947 ( 0.000 0.255 0.428) 0.499 3.953 ( 0.000 0.265 -0.229) 0.350 3.973 ( -0.000 -0.161 -5.113) 5.116 4.214 ( 0.000 0.166 0.186) 0.249 4.218 ( 0.000 0.184 -0.207) 0.276 4.468 ( -0.000 -0.033 3.761) 3.761 4.543 ( -0.000 -0.413 -4.261) 4.281 4.961 ( 0.000 1.092 4.957) 5.076 5.003 ( 0.000 0.442 0.157) 0.469 5.291 ( -0.000 -13.677 11.554) 17.904 5.412 ( -0.000 -3.009 0.821) 3.119 5.445 ( -0.000 -4.424 1.376) 4.633 5.525 ( 0.000 0.049 -6.321) 6.321 6.141 ( 0.000 3.730 2.214) 4.338 6.198 ( 0.000 5.087 -3.993) 6.467 ======================= Grid point 342 (114/129) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -2.356 0.000 1.274) 2.678 0.978 ( -1.945 0.000 -2.236) 2.964 1.168 ( -0.903 0.000 2.211) 2.389 1.175 ( -2.172 0.000 1.512) 2.647 1.328 ( -4.948 0.000 4.049) 6.394 1.399 ( -3.765 0.000 -3.572) 5.190 1.535 ( -0.566 0.000 2.060) 2.136 1.601 ( -1.370 0.000 -4.715) 4.910 1.772 ( 3.939 -0.000 1.828) 4.342 1.801 ( 4.307 -0.000 -1.287) 4.495 1.950 ( -1.133 0.000 1.213) 1.660 1.960 ( 0.401 -0.000 -0.017) 0.401 2.010 ( 3.689 -0.000 -0.728) 3.760 2.011 ( 2.553 -0.000 -0.850) 2.691 2.725 ( -0.570 0.000 20.680) 20.688 3.054 ( 0.428 -0.000 2.158) 2.200 3.085 ( 0.661 -0.000 -6.791) 6.823 3.108 ( -1.085 0.000 -14.299) 14.340 3.268 ( -0.318 0.000 3.607) 3.621 3.347 ( -0.121 0.000 -4.850) 4.851 3.830 ( -0.387 0.000 2.618) 2.646 3.885 ( -0.333 0.000 -3.570) 3.585 4.131 ( -0.063 0.000 1.210) 1.211 4.172 ( -0.067 0.000 -3.249) 3.249 4.511 ( 0.244 -0.000 4.589) 4.596 4.582 ( -0.363 0.000 -3.225) 3.245 4.641 ( 0.602 -0.000 2.403) 2.477 4.664 ( -0.260 0.000 -0.894) 0.931 4.785 ( 0.365 -0.000 9.670) 9.677 4.806 ( 0.070 -0.000 13.213) 13.213 4.948 ( -0.579 0.000 -6.693) 6.718 5.022 ( -0.350 0.000 -8.821) 8.828 5.258 ( 0.148 -0.000 1.492) 1.500 5.326 ( 0.104 -0.000 -6.435) 6.436 5.952 ( -1.543 0.000 5.184) 5.409 6.031 ( -1.254 0.000 -3.445) 3.666 ======================= Grid point 343 (115/129) ======================= q-point: (-0.67 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.539 -0.443 1.714) 2.346 0.942 ( -1.799 -0.401 -2.232) 2.894 1.138 ( -1.491 -0.088 2.697) 3.083 1.160 ( 0.039 0.426 0.382) 0.574 1.225 ( -5.309 -1.885 4.962) 7.508 1.311 ( -5.106 -1.229 -4.047) 6.630 1.531 ( -0.020 0.043 0.388) 0.391 1.565 ( -2.359 -0.023 -3.108) 3.902 1.807 ( -1.093 0.579 2.225) 2.546 1.845 ( -1.063 0.762 -1.808) 2.231 1.921 ( -0.429 0.216 1.102) 1.202 1.940 ( -0.731 0.036 -1.027) 1.261 2.049 ( 0.334 1.049 0.407) 1.174 2.055 ( 0.430 -0.020 -0.325) 0.539 2.710 ( -0.901 -0.139 20.050) 20.071 3.009 ( -5.447 0.155 2.139) 5.854 3.046 ( -5.521 0.078 -2.368) 6.008 3.075 ( -1.525 -0.190 -17.599) 17.665 3.324 ( 5.429 -0.062 3.689) 6.564 3.412 ( 5.733 -0.058 -6.196) 8.442 3.795 ( -2.564 -0.067 2.379) 3.499 3.850 ( -2.909 -0.064 -3.750) 4.747 4.118 ( -1.128 -0.006 0.867) 1.422 4.149 ( -1.885 -0.010 -2.578) 3.193 4.436 ( -4.963 0.048 2.794) 5.695 4.468 ( -6.176 0.015 -0.686) 6.214 4.684 ( 0.745 -0.047 1.399) 1.585 4.694 ( 0.327 -0.002 1.991) 2.017 4.806 ( 0.858 0.024 9.151) 9.191 4.845 ( 4.250 0.064 5.808) 7.197 4.998 ( 4.715 -0.104 -3.504) 5.875 5.026 ( 1.075 -0.092 -5.717) 5.818 5.286 ( 2.637 0.086 0.200) 2.646 5.344 ( 1.672 0.005 -6.288) 6.507 5.920 ( -1.781 -0.382 5.100) 5.415 5.998 ( -2.182 -0.317 -3.376) 4.032 ======================= Grid point 344 (116/129) ======================= q-point: (-0.58 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.931 -1.606 1.252) 2.239 0.907 ( -2.337 -1.785 -0.473) 2.979 1.102 ( -2.869 -1.692 2.000) 3.885 1.147 ( -2.936 -0.963 -2.303) 3.854 1.168 ( -0.400 -1.540 4.661) 4.925 1.236 ( -2.114 -1.319 -2.604) 3.605 1.509 ( -3.075 -0.267 0.893) 3.213 1.532 ( -0.043 -0.065 -1.737) 1.738 1.732 ( -5.336 0.170 1.795) 5.632 1.766 ( -5.204 0.237 -1.987) 5.575 1.922 ( -0.141 1.442 0.832) 1.671 1.932 ( -0.880 0.879 -0.429) 1.316 2.006 ( -3.513 1.695 0.316) 3.913 2.014 ( -4.131 1.451 -0.438) 4.401 2.693 ( -0.834 -0.124 19.136) 19.155 2.813 ( -14.616 0.236 2.152) 14.776 2.847 ( -14.972 0.041 -1.750) 15.073 3.049 ( -1.105 -0.124 -17.642) 17.677 3.442 ( 5.162 -0.097 3.678) 6.339 3.519 ( 3.615 -0.141 -4.625) 5.872 3.764 ( -0.181 0.069 0.167) 0.256 3.796 ( -1.821 0.005 -3.146) 3.635 4.096 ( -0.767 0.042 0.947) 1.219 4.123 ( -0.216 0.029 -2.116) 2.127 4.365 ( -1.946 0.068 1.588) 2.512 4.381 ( -2.480 0.048 -0.321) 2.501 4.673 ( -1.586 -0.071 2.922) 3.325 4.686 ( -0.516 -0.084 0.149) 0.544 4.831 ( 1.307 0.107 7.441) 7.556 4.907 ( 2.016 0.127 0.707) 2.140 5.075 ( 3.607 -0.326 2.211) 4.243 5.103 ( 5.372 -0.376 -1.080) 5.493 5.357 ( 4.276 0.786 -2.801) 5.171 5.385 ( 2.158 -0.427 -5.567) 5.986 5.891 ( -1.272 -1.267 4.211) 4.578 5.952 ( -2.488 -1.115 -2.408) 3.637 ======================= Grid point 345 (117/129) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -4.284 -0.606 3.769) 5.738 0.893 ( -1.236 -2.183 -1.949) 3.177 1.050 ( -3.815 -0.102 0.345) 3.832 1.084 ( -2.151 -1.885 -3.068) 4.194 1.197 ( 1.393 -2.990 3.063) 4.501 1.233 ( 0.144 -1.886 -0.542) 1.967 1.450 ( -3.029 -1.096 5.532) 6.402 1.530 ( -0.333 0.062 -3.272) 3.290 1.624 ( -4.854 -0.117 1.512) 5.086 1.666 ( -4.463 -0.259 -2.794) 5.272 1.836 ( -7.130 3.619 1.220) 8.088 1.858 ( -7.489 4.061 -1.138) 8.595 1.914 ( -2.562 -0.037 1.749) 3.102 1.946 ( -2.375 -0.262 -1.711) 2.938 2.442 ( -21.786 0.117 1.928) 21.871 2.472 ( -21.870 -0.166 -1.305) 21.910 2.679 ( -0.536 0.320 18.526) 18.537 3.033 ( -0.481 0.323 -18.210) 18.219 3.490 ( -0.543 0.031 2.682) 2.736 3.541 ( -1.284 0.028 -2.934) 3.203 3.765 ( 0.152 0.685 -0.057) 0.704 3.787 ( 0.869 0.588 -2.289) 2.518 4.091 ( 0.149 0.068 2.235) 2.241 4.134 ( 0.469 0.155 -2.521) 2.569 4.352 ( 0.052 0.035 0.598) 0.601 4.357 ( -0.553 -0.006 0.141) 0.571 4.637 ( -2.391 -0.011 1.750) 2.963 4.667 ( -1.388 -0.057 -1.766) 2.247 4.864 ( 2.448 0.417 8.050) 8.424 4.939 ( 1.711 0.212 -0.763) 1.886 5.154 ( 3.702 -0.942 6.028) 7.136 5.206 ( 4.343 -1.142 -0.161) 4.493 5.381 ( -1.974 -0.866 -0.478) 2.207 5.452 ( 3.399 0.158 -7.681) 8.401 5.909 ( 3.064 -1.208 2.232) 3.978 5.938 ( 1.420 -1.345 -0.563) 2.035 ======================= Grid point 346 (118/129) ======================= q-point: (-0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -2.913 2.925 5.573) 6.936 0.862 ( -2.040 0.583 -5.675) 6.059 0.969 ( -3.701 1.824 4.566) 6.154 1.063 ( -1.256 -0.100 -4.997) 5.153 1.231 ( -0.126 -2.761 2.253) 3.566 1.250 ( 0.289 -2.715 0.217) 2.739 1.402 ( -2.724 -1.644 9.093) 9.634 1.509 ( -1.836 -0.141 -1.038) 2.114 1.561 ( -1.723 0.472 -0.677) 1.911 1.596 ( -4.055 0.357 -1.938) 4.509 1.647 ( -9.369 3.223 0.456) 9.918 1.673 ( -6.446 2.250 -2.214) 7.177 1.864 ( -3.929 -1.304 1.100) 4.284 1.884 ( -7.288 -1.847 -1.178) 7.610 2.016 ( -17.151 0.139 1.053) 17.184 2.038 ( -19.557 -0.289 -1.080) 19.589 2.671 ( 0.010 0.979 17.831) 17.858 3.026 ( 0.144 1.025 -19.111) 19.139 3.434 ( -4.442 0.198 1.473) 4.684 3.470 ( -5.451 0.342 -2.812) 6.143 3.776 ( 1.699 1.211 1.971) 2.870 3.815 ( 2.334 1.415 -2.257) 3.542 4.090 ( -0.489 -0.204 1.778) 1.855 4.117 ( -2.235 0.055 -1.202) 2.538 4.332 ( -2.527 0.296 0.387) 2.574 4.334 ( -2.237 0.143 0.350) 2.268 4.576 ( -3.528 -0.036 2.508) 4.328 4.625 ( -2.997 -0.194 -2.768) 4.084 4.919 ( 3.133 0.940 6.364) 7.155 4.976 ( 1.972 0.475 -0.695) 2.144 5.213 ( -1.486 -3.731 5.111) 6.500 5.253 ( -0.817 -5.431 0.992) 5.581 5.352 ( 1.411 -0.420 5.215) 5.419 5.490 ( 0.958 -0.169 -9.212) 9.263 6.019 ( 7.121 0.793 1.289) 7.280 6.040 ( 7.913 0.554 -0.439) 7.944 ======================= Grid point 347 (119/129) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.543 7.317 6.158) 9.579 0.825 ( -0.436 3.492 -7.015) 7.848 0.873 ( -4.361 5.149 8.214) 10.630 1.017 ( -2.933 3.019 -7.025) 8.190 1.203 ( -3.187 2.814 4.987) 6.553 1.256 ( -0.468 0.362 -0.993) 1.156 1.358 ( -2.206 -1.743 9.303) 9.718 1.429 ( -6.413 -1.221 -2.048) 6.842 1.433 ( -7.929 -0.507 5.216) 9.504 1.532 ( -1.827 -1.150 3.345) 3.981 1.543 ( -1.393 -0.262 -3.563) 3.834 1.592 ( -8.089 -0.670 -1.421) 8.240 1.631 ( -8.459 0.162 0.441) 8.472 1.693 ( -4.105 -0.990 -6.009) 7.344 1.870 ( -1.450 -2.916 2.446) 4.073 1.930 ( -0.430 -3.160 -4.112) 5.204 2.667 ( 0.274 1.677 17.203) 17.286 3.026 ( 0.439 1.661 -20.210) 20.283 3.342 ( -4.061 0.114 0.225) 4.068 3.353 ( -5.297 0.189 -1.215) 5.438 3.821 ( 3.590 1.315 2.823) 4.752 3.866 ( 3.899 1.694 -1.936) 4.672 4.043 ( -5.150 -0.236 0.854) 5.226 4.063 ( -3.060 -0.708 -1.229) 3.373 4.260 ( -3.729 0.387 0.466) 3.778 4.267 ( -3.835 0.313 -0.238) 3.856 4.506 ( -3.354 -0.100 2.913) 4.444 4.564 ( -2.701 -0.410 -3.346) 4.320 4.963 ( 1.693 1.238 4.990) 5.412 5.002 ( 0.775 0.419 0.662) 1.102 5.141 ( -5.639 -10.585 13.889) 18.350 5.305 ( 1.458 -5.677 -3.521) 6.837 5.404 ( 2.413 0.116 4.862) 5.429 5.511 ( 1.163 -0.064 -6.850) 6.948 6.143 ( 5.466 2.860 2.140) 6.530 6.192 ( 7.023 2.885 -2.805) 8.094 ======================= Grid point 348 (120/129) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 9.924 5.553) 11.372 0.766 ( 0.000 6.673 11.173) 13.014 0.804 ( 0.000 5.328 -7.557) 9.246 0.947 ( 0.000 4.650 -8.216) 9.440 1.128 ( 0.000 5.897 9.906) 11.528 1.246 ( 0.000 1.899 -4.057) 4.480 1.329 ( -0.000 -2.421 0.881) 2.576 1.352 ( -0.000 -1.997 -1.694) 2.619 1.369 ( -0.000 -0.931 13.510) 13.542 1.488 ( -0.000 -1.085 1.114) 1.555 1.505 ( -0.000 -0.924 -0.774) 1.206 1.546 ( -0.000 -1.425 -2.871) 3.205 1.582 ( -0.000 -1.286 2.152) 2.507 1.693 ( -0.000 -0.948 -6.742) 6.809 1.880 ( -0.000 -4.350 2.510) 5.022 1.951 ( -0.000 -3.878 -5.447) 6.686 2.660 ( 0.000 2.091 16.774) 16.903 3.022 ( 0.000 1.972 -21.100) 21.192 3.294 ( -0.000 -0.098 0.019) 0.100 3.298 ( -0.000 -0.024 -0.338) 0.339 3.888 ( 0.000 0.622 4.482) 4.525 3.950 ( 0.000 0.294 0.432) 0.522 3.956 ( 0.000 0.305 -0.237) 0.386 3.972 ( 0.000 0.126 -4.720) 4.722 4.216 ( 0.000 0.193 0.183) 0.266 4.220 ( 0.000 0.210 -0.228) 0.310 4.467 ( -0.000 -0.043 3.595) 3.596 4.539 ( -0.000 -0.441 -3.978) 4.003 4.973 ( 0.000 1.116 4.930) 5.055 5.007 ( 0.000 0.160 1.380) 1.389 5.146 ( -0.000 -12.769 17.402) 21.584 5.354 ( -0.000 -6.561 -5.446) 8.527 5.429 ( -0.000 -0.159 4.945) 4.947 5.526 ( 0.000 0.090 -5.577) 5.578 6.182 ( 0.000 3.829 2.606) 4.632 6.248 ( 0.000 4.181 -4.414) 6.080 ======================= Grid point 355 (121/129) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.664 0.000 1.188) 1.361 0.897 ( -2.746 0.000 -0.337) 2.767 1.092 ( -2.955 0.000 2.033) 3.587 1.142 ( -3.077 0.000 -2.709) 4.099 1.160 ( -0.365 0.000 4.935) 4.948 1.229 ( -1.771 0.000 -2.500) 3.064 1.508 ( -3.262 0.000 0.939) 3.394 1.532 ( 0.049 -0.000 -1.825) 1.826 1.732 ( -5.466 0.000 1.825) 5.762 1.767 ( -5.385 0.000 -1.986) 5.739 1.930 ( -0.139 0.000 0.648) 0.662 1.937 ( -0.411 0.000 -0.252) 0.482 2.015 ( -3.819 0.000 0.239) 3.827 2.022 ( -4.065 0.000 -0.361) 4.081 2.693 ( -0.760 0.000 19.087) 19.102 2.814 ( -14.638 0.000 2.113) 14.790 2.847 ( -15.019 0.000 -1.711) 15.116 3.048 ( -1.020 0.000 -17.652) 17.682 3.442 ( 5.186 -0.000 3.648) 6.341 3.518 ( 3.637 -0.000 -4.632) 5.889 3.764 ( -0.072 0.000 0.127) 0.146 3.796 ( -1.739 0.000 -3.145) 3.593 4.096 ( -0.754 0.000 0.952) 1.214 4.123 ( -0.199 0.000 -2.108) 2.117 4.365 ( -1.967 0.000 1.579) 2.522 4.382 ( -2.489 0.000 -0.316) 2.509 4.673 ( -1.578 0.000 2.915) 3.315 4.685 ( -0.502 0.000 0.152) 0.524 4.831 ( 1.336 -0.000 7.470) 7.589 4.908 ( 2.007 -0.000 0.730) 2.136 5.074 ( 3.552 -0.000 2.111) 4.132 5.101 ( 5.308 -0.000 -1.145) 5.430 5.362 ( 4.797 -0.000 -3.098) 5.711 5.382 ( 1.615 -0.000 -5.043) 5.296 5.884 ( -1.325 0.000 4.209) 4.413 5.946 ( -2.582 0.000 -2.474) 3.576 ======================= Grid point 357 (122/129) ======================= q-point: (-0.58 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -3.104 0.284 2.741) 4.151 0.874 ( -0.487 -1.171 -0.959) 1.590 1.052 ( -2.328 0.587 -0.880) 2.557 1.065 ( -2.727 -1.541 -2.355) 3.918 1.176 ( 1.173 -1.041 3.798) 4.109 1.221 ( -0.169 -0.559 -0.753) 0.953 1.443 ( -3.230 -0.375 6.028) 6.849 1.531 ( -0.291 0.040 -3.640) 3.652 1.623 ( -4.887 -0.052 1.324) 5.063 1.663 ( -4.647 -0.140 -2.791) 5.423 1.868 ( -6.663 2.106 1.741) 7.202 1.892 ( -8.136 1.899 -0.696) 8.384 1.910 ( -2.361 -0.239 0.866) 2.526 1.937 ( -3.161 -1.136 -1.820) 3.820 2.443 ( -21.832 0.047 1.794) 21.906 2.471 ( -21.931 -0.058 -1.214) 21.964 2.682 ( -0.356 0.124 18.584) 18.588 3.035 ( -0.285 0.119 -18.175) 18.178 3.490 ( -0.477 0.008 2.659) 2.702 3.541 ( -1.174 0.007 -2.952) 3.177 3.770 ( 0.331 0.253 -0.130) 0.436 3.791 ( 1.102 0.214 -2.267) 2.530 4.092 ( 0.122 0.026 2.329) 2.332 4.135 ( 0.501 0.058 -2.508) 2.558 4.353 ( 0.103 0.018 0.575) 0.584 4.357 ( -0.577 -0.004 0.165) 0.600 4.637 ( -2.356 0.002 1.750) 2.935 4.667 ( -1.369 -0.008 -1.721) 2.199 4.867 ( 2.579 0.151 8.045) 8.450 4.941 ( 1.757 0.075 -0.664) 1.880 5.147 ( 3.419 -0.354 5.666) 6.628 5.197 ( 3.726 -0.489 -0.482) 3.789 5.375 ( -2.827 -0.309 0.620) 2.911 5.453 ( 3.501 0.067 -7.618) 8.385 5.900 ( 3.667 -0.390 1.984) 4.188 5.928 ( 1.870 -0.501 -0.575) 2.020 ======================= Grid point 358 (123/129) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -0.746 2.896 3.614) 4.691 0.867 ( -0.474 0.253 -4.411) 4.444 0.984 ( -2.883 1.029 3.282) 4.488 1.059 ( -0.104 -0.530 -3.973) 4.009 1.205 ( 0.713 -1.878 2.379) 3.113 1.223 ( 0.109 -2.117 0.426) 2.162 1.388 ( -2.641 -0.954 10.472) 10.842 1.508 ( -1.871 -0.019 -0.692) 1.995 1.566 ( -0.971 0.503 -2.440) 2.674 1.595 ( -2.954 -0.393 -2.718) 4.033 1.681 ( -10.408 2.950 0.414) 10.826 1.695 ( -9.256 1.732 -1.022) 9.472 1.851 ( -4.497 -0.970 0.536) 4.631 1.866 ( -7.025 -1.459 -1.127) 7.263 2.016 ( -17.594 -0.042 1.021) 17.624 2.035 ( -19.997 -0.253 -0.823) 20.015 2.679 ( 0.228 0.545 18.058) 18.068 3.035 ( 0.370 0.571 -18.950) 18.962 3.436 ( -4.427 0.105 1.507) 4.678 3.473 ( -5.413 0.181 -2.900) 6.143 3.786 ( 1.796 0.715 2.022) 2.797 3.827 ( 2.566 0.804 -2.349) 3.571 4.089 ( -0.689 -0.107 2.011) 2.128 4.117 ( -2.383 0.039 -1.222) 2.678 4.335 ( -2.362 0.213 0.295) 2.389 4.335 ( -2.130 0.097 0.450) 2.179 4.576 ( -3.565 0.006 2.521) 4.366 4.624 ( -3.074 -0.058 -2.635) 4.049 4.927 ( 3.306 0.551 6.230) 7.074 4.980 ( 2.108 0.312 -0.524) 2.194 5.175 ( -6.901 -3.061 5.101) 9.112 5.211 ( 1.223 -2.536 1.953) 3.426 5.350 ( 2.208 -0.094 5.379) 5.815 5.489 ( 0.857 -0.087 -9.105) 9.146 6.026 ( 8.061 0.504 1.092) 8.150 6.045 ( 8.914 0.333 -0.391) 8.929 ======================= Grid point 359 (124/129) ======================= q-point: (-0.42 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 2.170 6.588 3.368) 7.710 0.858 ( 0.487 2.762 -5.374) 6.062 0.920 ( -2.852 3.417 7.113) 8.391 1.045 ( -1.268 2.234 -5.961) 6.491 1.219 ( -0.033 0.289 3.743) 3.754 1.250 ( 1.192 -1.435 0.153) 1.872 1.343 ( -2.621 -1.051 10.919) 11.278 1.424 ( -8.579 0.344 -0.566) 8.605 1.435 ( -10.078 0.573 3.325) 10.628 1.513 ( -1.988 -1.793 2.915) 3.958 1.550 ( -2.171 1.017 -3.618) 4.340 1.585 ( -6.899 -0.676 -2.077) 7.237 1.637 ( -8.512 1.035 0.025) 8.575 1.681 ( -4.711 -1.252 -5.016) 6.994 1.842 ( -2.548 -2.190 1.901) 3.861 1.897 ( -1.378 -3.006 -4.150) 5.306 2.682 ( 0.455 1.123 17.617) 17.659 3.041 ( 0.564 1.123 -19.815) 19.855 3.343 ( -4.154 0.081 0.244) 4.162 3.354 ( -5.492 0.119 -1.261) 5.636 3.834 ( 3.437 1.024 2.999) 4.675 3.882 ( 3.646 1.279 -2.104) 4.399 4.041 ( -5.106 -0.152 0.681) 5.154 4.056 ( -3.084 -0.501 -0.964) 3.270 4.264 ( -3.829 0.349 0.409) 3.867 4.270 ( -3.858 0.255 -0.165) 3.869 4.505 ( -3.340 -0.062 2.832) 4.379 4.561 ( -2.737 -0.258 -3.147) 4.178 4.974 ( 1.274 0.732 5.333) 5.531 5.004 ( -0.447 -0.269 3.992) 4.026 5.049 ( -4.775 -6.274 13.569) 15.693 5.253 ( 0.984 -4.036 -5.253) 6.697 5.405 ( 2.386 0.083 4.958) 5.503 5.511 ( 1.293 -0.024 -6.349) 6.480 6.169 ( 6.053 1.993 2.203) 6.743 6.217 ( 7.635 1.861 -2.633) 8.288 ======================= Grid point 360 (125/129) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 8.473 2.728) 8.901 0.835 ( 0.000 6.228 9.885) 11.683 0.856 ( 0.000 4.297 -5.511) 6.988 0.998 ( 0.000 4.768 -7.403) 8.805 1.190 ( 0.000 5.480 7.729) 9.475 1.265 ( 0.000 1.444 -1.221) 1.891 1.300 ( -0.000 -2.994 1.038) 3.169 1.327 ( -0.000 -2.562 -2.026) 3.267 1.359 ( -0.000 -0.830 13.892) 13.917 1.478 ( -0.000 -0.780 1.169) 1.406 1.497 ( -0.000 -0.668 -0.880) 1.105 1.525 ( -0.000 -2.288 0.466) 2.335 1.580 ( 0.000 0.823 -1.373) 1.600 1.678 ( -0.000 -1.766 -7.135) 7.350 1.837 ( -0.000 -3.651 2.161) 4.243 1.909 ( -0.000 -4.106 -5.950) 7.229 2.680 ( 0.000 1.614 17.296) 17.371 3.040 ( 0.000 1.526 -20.480) 20.537 3.293 ( -0.000 -0.083 0.056) 0.100 3.297 ( -0.000 -0.020 -0.380) 0.381 3.895 ( 0.000 0.722 4.369) 4.428 3.953 ( 0.000 0.254 0.435) 0.504 3.959 ( 0.000 0.263 -0.245) 0.360 3.975 ( 0.000 0.367 -4.379) 4.394 4.218 ( 0.000 0.168 0.179) 0.245 4.222 ( 0.000 0.180 -0.249) 0.307 4.467 ( -0.000 -0.042 3.452) 3.452 4.534 ( -0.000 -0.357 -3.714) 3.731 4.975 ( -0.000 -2.509 11.615) 11.883 5.002 ( -0.000 -0.830 6.654) 6.706 5.046 ( -0.000 -4.604 9.915) 10.932 5.289 ( -0.000 -5.444 -7.733) 9.457 5.429 ( 0.000 0.083 5.098) 5.098 5.526 ( 0.000 0.066 -5.119) 5.119 6.218 ( 0.000 3.045 2.852) 4.172 6.285 ( 0.000 2.929 -4.158) 5.086 ======================= Grid point 369 (126/129) ======================= q-point: (-0.58 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.082 -0.000 2.432) 2.433 0.868 ( 0.190 -0.000 -3.411) 3.417 0.990 ( -2.748 0.000 2.543) 3.744 1.056 ( 0.517 -0.000 -3.414) 3.453 1.195 ( 1.128 -0.000 2.232) 2.500 1.211 ( -0.380 0.000 0.688) 0.786 1.383 ( -2.633 0.000 11.025) 11.335 1.508 ( -1.909 0.000 -0.594) 1.999 1.570 ( -0.497 0.000 -3.281) 3.318 1.592 ( -2.851 0.000 -2.769) 3.974 1.701 ( -11.069 0.000 -0.004) 11.069 1.702 ( -10.047 0.000 -0.103) 10.048 1.846 ( -4.635 0.000 0.182) 4.638 1.857 ( -6.503 0.000 -1.093) 6.594 2.016 ( -17.839 0.000 1.024) 17.868 2.033 ( -20.238 0.000 -0.735) 20.252 2.682 ( 0.301 -0.000 18.140) 18.142 3.038 ( 0.447 -0.000 -18.892) 18.897 3.436 ( -4.421 0.000 1.517) 4.674 3.474 ( -5.399 0.000 -2.933) 6.144 3.790 ( 1.834 -0.000 2.033) 2.737 3.831 ( 2.652 -0.000 -2.381) 3.564 4.088 ( -0.762 0.000 2.096) 2.231 4.118 ( -2.437 0.000 -1.229) 2.729 4.336 ( -2.041 0.000 0.499) 2.101 4.336 ( -2.341 0.000 0.240) 2.353 4.576 ( -3.580 0.000 2.533) 4.386 4.624 ( -3.103 0.000 -2.591) 4.042 4.930 ( 3.379 -0.000 6.185) 7.048 4.982 ( 2.191 -0.000 -0.476) 2.242 5.157 ( -8.506 0.000 5.446) 10.100 5.198 ( 1.734 -0.000 1.968) 2.623 5.349 ( 2.373 -0.000 5.409) 5.907 5.488 ( 0.827 -0.000 -9.060) 9.098 6.029 ( 8.381 -0.000 1.026) 8.444 6.046 ( 9.264 -0.000 -0.361) 9.271 ======================= Grid point 371 (127/129) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 2.948 3.061 0.727) 4.312 0.879 ( 0.970 0.946 -4.192) 4.405 0.942 ( -2.084 0.971 7.167) 7.526 1.063 ( -0.003 0.970 -5.463) 5.549 1.218 ( 1.251 -0.085 2.951) 3.206 1.233 ( 2.247 -1.388 1.106) 2.863 1.336 ( -2.628 -0.367 12.785) 13.057 1.432 ( -9.999 0.968 -0.572) 10.062 1.439 ( -11.173 -0.022 2.037) 11.357 1.499 ( -2.554 -0.757 2.851) 3.902 1.562 ( -3.354 1.211 -3.280) 4.845 1.577 ( -4.525 -0.994 -3.323) 5.701 1.651 ( -7.534 1.349 -0.710) 7.687 1.667 ( -6.690 -1.228 -3.187) 7.511 1.826 ( -3.055 -0.811 1.250) 3.400 1.872 ( -1.912 -1.361 -4.002) 4.639 2.690 ( 0.545 0.391 17.850) 17.862 3.049 ( 0.622 0.393 -19.601) 19.615 3.343 ( -4.203 0.028 0.249) 4.210 3.355 ( -5.599 0.038 -1.284) 5.745 3.841 ( 3.365 0.389 3.090) 4.585 3.891 ( 3.530 0.477 -2.199) 4.187 4.040 ( -5.084 -0.053 0.579) 5.117 4.052 ( -3.086 -0.182 -0.809) 3.196 4.266 ( -3.910 0.146 0.343) 3.927 4.272 ( -3.878 0.097 -0.106) 3.881 4.504 ( -3.343 -0.020 2.792) 4.355 4.559 ( -2.774 -0.084 -3.046) 4.121 4.973 ( -3.536 -0.921 12.845) 13.355 4.995 ( -1.396 -0.516 10.258) 10.365 5.018 ( 0.836 -0.543 1.531) 1.827 5.224 ( 0.712 -1.476 -6.228) 6.440 5.405 ( 2.388 0.026 5.007) 5.547 5.511 ( 1.350 -0.008 -6.113) 6.260 6.184 ( 6.358 0.712 2.232) 6.777 6.230 ( 7.929 0.644 -2.471) 8.330 ======================= Grid point 372 (128/129) ======================= q-point: (-0.42 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 5.330 0.190) 5.333 0.890 ( 0.000 2.061 -3.689) 4.226 0.891 ( 0.000 3.995 9.129) 9.965 1.043 ( 0.000 3.450 -6.954) 7.763 1.236 ( 0.000 2.831 7.180) 7.718 1.269 ( -0.000 -2.470 1.250) 2.769 1.277 ( 0.000 0.943 1.298) 1.604 1.302 ( -0.000 -2.051 -2.317) 3.094 1.354 ( -0.000 -0.131 13.215) 13.216 1.472 ( -0.000 -0.379 1.183) 1.242 1.492 ( -0.000 -0.332 -0.950) 1.007 1.503 ( -0.000 -1.635 2.150) 2.701 1.596 ( 0.000 2.249 -3.662) 4.298 1.655 ( -0.000 -2.536 -7.066) 7.507 1.807 ( -0.000 -1.967 1.496) 2.471 1.870 ( -0.000 -2.931 -5.730) 6.436 2.693 ( 0.000 0.859 17.656) 17.677 3.053 ( 0.000 0.814 -20.067) 20.084 3.292 ( -0.000 -0.047 0.082) 0.095 3.297 ( -0.000 -0.011 -0.410) 0.410 3.902 ( 0.000 0.487 4.298) 4.326 3.955 ( 0.000 0.146 0.438) 0.461 3.962 ( 0.000 0.151 -0.251) 0.293 3.979 ( 0.000 0.316 -4.168) 4.180 4.219 ( 0.000 0.097 0.175) 0.200 4.223 ( 0.000 0.103 -0.263) 0.282 4.467 ( -0.000 -0.027 3.360) 3.361 4.532 ( -0.000 -0.196 -3.530) 3.536 4.925 ( -0.000 -4.320 24.380) 24.759 5.005 ( 0.000 0.707 4.509) 4.564 5.030 ( -0.000 -0.264 1.651) 1.672 5.243 ( -0.000 -3.086 -9.158) 9.664 5.430 ( 0.000 0.056 5.144) 5.144 5.527 ( 0.000 0.029 -4.860) 4.860 6.244 ( 0.000 1.673 2.974) 3.412 6.309 ( 0.000 1.516 -3.810) 4.100 ======================= Grid point 384 (129/129) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 0.000 -1.334) 1.334 0.899 ( 0.000 0.000 -2.580) 2.580 0.913 ( 0.000 0.000 8.942) 8.942 1.063 ( 0.000 0.000 -6.905) 6.905 1.249 ( -0.000 -0.000 8.254) 8.254 1.255 ( 0.000 0.000 1.426) 1.426 1.283 ( 0.000 0.000 1.514) 1.514 1.290 ( 0.000 0.000 -2.455) 2.455 1.354 ( 0.000 0.000 12.553) 12.553 1.470 ( 0.000 0.000 1.181) 1.181 1.490 ( 0.000 0.000 -0.974) 0.974 1.494 ( 0.000 0.000 2.690) 2.690 1.620 ( 0.000 0.000 -3.454) 3.454 1.630 ( 0.000 0.000 -7.968) 7.968 1.797 ( 0.000 0.000 1.083) 1.083 1.853 ( 0.000 0.000 -5.469) 5.469 2.698 ( 0.000 0.000 17.785) 17.785 3.057 ( 0.000 0.000 -19.924) 19.924 3.292 ( 0.000 0.000 0.091) 0.091 3.297 ( 0.000 0.000 -0.421) 0.421 3.904 ( 0.000 0.000 4.274) 4.274 3.956 ( 0.000 0.000 0.439) 0.439 3.962 ( 0.000 0.000 -0.253) 0.253 3.981 ( 0.000 0.000 -4.100) 4.100 4.220 ( 0.000 0.000 0.174) 0.174 4.224 ( 0.000 0.000 -0.268) 0.268 4.466 ( 0.000 0.000 3.330) 3.330 4.530 ( 0.000 0.000 -3.465) 3.465 4.902 ( 0.000 0.000 25.852) 25.852 5.010 ( 0.000 0.000 4.247) 4.247 5.029 ( 0.000 0.000 1.199) 1.199 5.227 ( 0.000 0.000 -9.678) 9.678 5.430 ( 0.000 0.000 5.159) 5.159 5.527 ( 0.000 0.000 -4.775) 4.775 6.253 ( 0.000 0.000 3.010) 3.010 6.317 ( 0.000 0.000 -3.665) 3.665 =================== 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 3/25920 10.0 21.305 26.491 19.088 0.000 0.000 0.000 3/25920 20.0 7.008 4.734 5.021 0.000 0.000 0.000 3/25920 30.0 5.142 2.487 3.391 0.000 0.000 0.000 3/25920 40.0 4.163 1.690 2.733 0.000 0.000 0.000 3/25920 50.0 3.492 1.284 2.321 0.000 0.000 0.000 3/25920 60.0 3.005 1.042 2.025 0.000 0.000 -0.000 3/25920 70.0 2.636 0.881 1.798 0.000 0.000 -0.000 3/25920 80.0 2.348 0.765 1.618 0.000 0.000 -0.000 3/25920 90.0 2.117 0.678 1.470 0.000 0.000 -0.000 3/25920 100.0 1.927 0.610 1.347 0.000 0.000 -0.000 3/25920 110.0 1.768 0.554 1.243 0.000 0.000 -0.000 3/25920 120.0 1.633 0.508 1.153 0.000 0.000 -0.000 3/25920 130.0 1.517 0.470 1.075 0.000 0.000 -0.000 3/25920 140.0 1.416 0.437 1.006 0.000 0.000 -0.000 3/25920 150.0 1.328 0.408 0.946 0.000 0.000 -0.000 3/25920 160.0 1.250 0.383 0.892 0.000 0.000 -0.000 3/25920 170.0 1.180 0.361 0.844 0.000 0.000 -0.000 3/25920 180.0 1.118 0.341 0.801 0.000 0.000 -0.000 3/25920 190.0 1.062 0.323 0.761 0.000 0.000 -0.000 3/25920 200.0 1.011 0.307 0.726 0.000 0.000 -0.000 3/25920 210.0 0.965 0.293 0.693 0.000 0.000 -0.000 3/25920 220.0 0.923 0.280 0.664 0.000 0.000 -0.000 3/25920 230.0 0.884 0.268 0.636 0.000 0.000 -0.000 3/25920 240.0 0.849 0.257 0.611 0.000 0.000 -0.000 3/25920 250.0 0.816 0.246 0.588 0.000 0.000 -0.000 3/25920 260.0 0.785 0.237 0.566 0.000 0.000 -0.000 3/25920 270.0 0.757 0.228 0.546 0.000 0.000 -0.000 3/25920 280.0 0.731 0.220 0.527 0.000 0.000 -0.000 3/25920 290.0 0.706 0.213 0.510 0.000 0.000 -0.000 3/25920 300.0 0.683 0.206 0.493 0.000 0.000 -0.000 3/25920 310.0 0.662 0.199 0.478 0.000 0.000 -0.000 3/25920 320.0 0.642 0.193 0.464 0.000 0.000 -0.000 3/25920 330.0 0.623 0.187 0.450 0.000 0.000 -0.000 3/25920 340.0 0.605 0.182 0.437 0.000 0.000 -0.000 3/25920 350.0 0.588 0.177 0.425 0.000 0.000 -0.000 3/25920 360.0 0.572 0.172 0.414 0.000 0.000 -0.000 3/25920 370.0 0.556 0.167 0.403 0.000 0.000 -0.000 3/25920 380.0 0.542 0.163 0.392 0.000 0.000 -0.000 3/25920 390.0 0.528 0.159 0.382 0.000 0.000 -0.000 3/25920 400.0 0.515 0.155 0.373 0.000 0.000 -0.000 3/25920 410.0 0.503 0.151 0.364 0.000 0.000 -0.000 3/25920 420.0 0.491 0.147 0.356 0.000 0.000 -0.000 3/25920 430.0 0.480 0.144 0.348 0.000 0.000 -0.000 3/25920 440.0 0.469 0.141 0.340 0.000 0.000 -0.000 3/25920 450.0 0.459 0.138 0.333 0.000 0.000 -0.000 3/25920 460.0 0.449 0.135 0.325 0.000 0.000 -0.000 3/25920 470.0 0.440 0.132 0.319 0.000 0.000 -0.000 3/25920 480.0 0.431 0.129 0.312 0.000 0.000 -0.000 3/25920 490.0 0.422 0.126 0.306 0.000 0.000 -0.000 3/25920 500.0 0.414 0.124 0.300 0.000 0.000 -0.000 3/25920 510.0 0.406 0.121 0.294 0.000 0.000 -0.000 3/25920 520.0 0.398 0.119 0.288 0.000 0.000 -0.000 3/25920 530.0 0.390 0.117 0.283 0.000 0.000 -0.000 3/25920 540.0 0.383 0.115 0.278 0.000 0.000 -0.000 3/25920 550.0 0.376 0.113 0.273 0.000 0.000 -0.000 3/25920 560.0 0.370 0.111 0.268 0.000 0.000 -0.000 3/25920 570.0 0.363 0.109 0.264 0.000 0.000 -0.000 3/25920 580.0 0.357 0.107 0.259 0.000 0.000 -0.000 3/25920 590.0 0.351 0.105 0.255 0.000 0.000 -0.000 3/25920 600.0 0.345 0.103 0.251 0.000 0.000 -0.000 3/25920 610.0 0.340 0.102 0.246 0.000 0.000 -0.000 3/25920 620.0 0.334 0.100 0.243 0.000 0.000 -0.000 3/25920 630.0 0.329 0.098 0.239 0.000 0.000 -0.000 3/25920 640.0 0.324 0.097 0.235 0.000 0.000 -0.000 3/25920 650.0 0.319 0.095 0.231 0.000 0.000 -0.000 3/25920 660.0 0.314 0.094 0.228 0.000 0.000 -0.000 3/25920 670.0 0.310 0.093 0.225 0.000 0.000 -0.000 3/25920 680.0 0.305 0.091 0.221 0.000 0.000 -0.000 3/25920 690.0 0.301 0.090 0.218 0.000 0.000 -0.000 3/25920 700.0 0.296 0.089 0.215 0.000 0.000 -0.000 3/25920 710.0 0.292 0.087 0.212 0.000 0.000 -0.000 3/25920 720.0 0.288 0.086 0.209 0.000 0.000 -0.000 3/25920 730.0 0.284 0.085 0.206 0.000 0.000 -0.000 3/25920 740.0 0.280 0.084 0.204 0.000 0.000 -0.000 3/25920 750.0 0.277 0.083 0.201 0.000 0.000 -0.000 3/25920 760.0 0.273 0.082 0.198 0.000 0.000 -0.000 3/25920 770.0 0.270 0.081 0.196 0.000 0.000 -0.000 3/25920 780.0 0.266 0.080 0.193 0.000 0.000 -0.000 3/25920 790.0 0.263 0.079 0.191 0.000 0.000 -0.000 3/25920 800.0 0.260 0.078 0.188 0.000 0.000 -0.000 3/25920 810.0 0.256 0.077 0.186 0.000 0.000 -0.000 3/25920 820.0 0.253 0.076 0.184 0.000 0.000 -0.000 3/25920 830.0 0.250 0.075 0.182 0.000 0.000 -0.000 3/25920 840.0 0.247 0.074 0.180 0.000 0.000 -0.000 3/25920 850.0 0.244 0.073 0.177 0.000 0.000 -0.000 3/25920 860.0 0.242 0.072 0.175 0.000 0.000 -0.000 3/25920 870.0 0.239 0.071 0.173 0.000 0.000 -0.000 3/25920 880.0 0.236 0.070 0.171 0.000 0.000 -0.000 3/25920 890.0 0.233 0.070 0.170 0.000 0.000 -0.000 3/25920 900.0 0.231 0.069 0.168 0.000 0.000 -0.000 3/25920 910.0 0.228 0.068 0.166 0.000 0.000 -0.000 3/25920 920.0 0.226 0.067 0.164 0.000 0.000 -0.000 3/25920 930.0 0.224 0.067 0.162 0.000 0.000 -0.000 3/25920 940.0 0.221 0.066 0.161 0.000 0.000 -0.000 3/25920 950.0 0.219 0.065 0.159 0.000 0.000 -0.000 3/25920 960.0 0.217 0.065 0.157 0.000 0.000 -0.000 3/25920 970.0 0.214 0.064 0.156 0.000 0.000 -0.000 3/25920 980.0 0.212 0.063 0.154 0.000 0.000 -0.000 3/25920 990.0 0.210 0.063 0.153 0.000 0.000 -0.000 3/25920 1000.0 0.208 0.062 0.151 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:53:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|