----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:06:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/ncm (138) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.796051080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.796051080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): *1 Sr 0.26432010140839 0.76432010140839 0.10336925254139 87.620 2 Sr 0.73567989859161 0.76432010140839 0.60336925254139 87.620 3 Sr 0.26432010140839 0.23567989859161 0.60336925254139 87.620 4 Sr 0.76432010140839 0.73567989859161 0.89663074745861 87.620 5 Sr 0.23567989859161 0.26432010140839 0.89663074745861 87.620 6 Sr 0.73567989859161 0.23567989859161 0.10336925254139 87.620 7 Sr 0.76432010140839 0.26432010140839 0.39663074745861 87.620 8 Sr 0.23567989859161 0.73567989859161 0.39663074745861 87.620 *9 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 10 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 11 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 12 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 *13 O 0.50000000000000 0.00000000000000 0.77995731324234 15.999 14 O 0.50000000000000 0.00000000000000 0.27995731324234 15.999 15 O 0.00000000000000 0.50000000000000 0.22004268675766 15.999 16 O 0.00000000000000 0.50000000000000 0.72004268675766 15.999 *17 O 0.20694590440622 0.70694590440622 0.91376276429545 15.999 18 O 0.79305409559378 0.70694590440622 0.41376276429545 15.999 19 O 0.20694590440622 0.29305409559378 0.41376276429545 15.999 20 O 0.70694590440622 0.79305409559378 0.08623723570455 15.999 21 O 0.29305409559378 0.20694590440622 0.08623723570455 15.999 22 O 0.79305409559378 0.29305409559378 0.91376276429545 15.999 23 O 0.70694590440622 0.20694590440622 0.58623723570455 15.999 24 O 0.29305409559378 0.79305409559378 0.58623723570455 15.999 *25 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 26 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 27 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.796051080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.796051080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): *1 Sr 0.26432010140839 0.76432010140839 0.10336925254139 87.620 > 1 2 Sr 0.73567989859161 0.76432010140839 0.60336925254139 87.620 > 2 3 Sr 0.26432010140839 0.23567989859161 0.60336925254139 87.620 > 3 4 Sr 0.76432010140839 0.73567989859161 0.89663074745861 87.620 > 4 5 Sr 0.23567989859161 0.26432010140839 0.89663074745861 87.620 > 5 6 Sr 0.73567989859161 0.23567989859161 0.10336925254139 87.620 > 6 7 Sr 0.76432010140839 0.26432010140839 0.39663074745861 87.620 > 7 8 Sr 0.23567989859161 0.73567989859161 0.39663074745861 87.620 > 8 *9 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 > 9 10 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 > 10 11 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 > 11 12 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 > 12 *13 O 0.50000000000000 0.00000000000000 0.77995731324234 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.27995731324234 15.999 > 14 15 O 0.00000000000000 0.50000000000000 0.22004268675766 15.999 > 15 16 O 0.00000000000000 0.50000000000000 0.72004268675766 15.999 > 16 *17 O 0.20694590440622 0.70694590440622 0.91376276429545 15.999 > 17 18 O 0.79305409559378 0.70694590440622 0.41376276429545 15.999 > 18 19 O 0.20694590440622 0.29305409559378 0.41376276429545 15.999 > 19 20 O 0.70694590440622 0.79305409559378 0.08623723570455 15.999 > 20 21 O 0.29305409559378 0.20694590440622 0.08623723570455 15.999 > 21 22 O 0.79305409559378 0.29305409559378 0.91376276429545 15.999 > 22 23 O 0.70694590440622 0.20694590440622 0.58623723570455 15.999 > 23 24 O 0.29305409559378 0.79305409559378 0.58623723570455 15.999 > 24 *25 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 25 26 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 26 27 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 27 28 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.592102160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.592102160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): *1 Sr 0.13216005070419 0.38216005070419 0.10336925254139 87.620 > 1 2 Sr 0.63216005070419 0.38216005070419 0.10336925254139 87.620 > 1 3 Sr 0.13216005070419 0.88216005070419 0.10336925254139 87.620 > 1 4 Sr 0.63216005070419 0.88216005070419 0.10336925254139 87.620 > 1 5 Sr 0.36783994929581 0.38216005070419 0.60336925254139 87.620 > 2 6 Sr 0.86783994929581 0.38216005070419 0.60336925254139 87.620 > 2 7 Sr 0.36783994929581 0.88216005070419 0.60336925254139 87.620 > 2 8 Sr 0.86783994929581 0.88216005070419 0.60336925254139 87.620 > 2 9 Sr 0.13216005070419 0.11783994929581 0.60336925254139 87.620 > 3 10 Sr 0.63216005070419 0.11783994929581 0.60336925254139 87.620 > 3 11 Sr 0.13216005070419 0.61783994929581 0.60336925254139 87.620 > 3 12 Sr 0.63216005070419 0.61783994929581 0.60336925254139 87.620 > 3 13 Sr 0.38216005070419 0.36783994929581 0.89663074745861 87.620 > 4 14 Sr 0.88216005070419 0.36783994929581 0.89663074745861 87.620 > 4 15 Sr 0.38216005070419 0.86783994929581 0.89663074745861 87.620 > 4 16 Sr 0.88216005070419 0.86783994929581 0.89663074745861 87.620 > 4 17 Sr 0.11783994929581 0.13216005070419 0.89663074745861 87.620 > 5 18 Sr 0.61783994929581 0.13216005070419 0.89663074745861 87.620 > 5 19 Sr 0.11783994929581 0.63216005070419 0.89663074745861 87.620 > 5 20 Sr 0.61783994929581 0.63216005070419 0.89663074745861 87.620 > 5 21 Sr 0.36783994929581 0.11783994929581 0.10336925254139 87.620 > 6 22 Sr 0.86783994929581 0.11783994929581 0.10336925254139 87.620 > 6 23 Sr 0.36783994929581 0.61783994929581 0.10336925254139 87.620 > 6 24 Sr 0.86783994929581 0.61783994929581 0.10336925254139 87.620 > 6 25 Sr 0.38216005070419 0.13216005070419 0.39663074745861 87.620 > 7 26 Sr 0.88216005070419 0.13216005070419 0.39663074745861 87.620 > 7 27 Sr 0.38216005070419 0.63216005070419 0.39663074745861 87.620 > 7 28 Sr 0.88216005070419 0.63216005070419 0.39663074745861 87.620 > 7 29 Sr 0.11783994929581 0.36783994929581 0.39663074745861 87.620 > 8 30 Sr 0.61783994929581 0.36783994929581 0.39663074745861 87.620 > 8 31 Sr 0.11783994929581 0.86783994929581 0.39663074745861 87.620 > 8 32 Sr 0.61783994929581 0.86783994929581 0.39663074745861 87.620 > 8 *33 Sn 0.12500000000000 0.37500000000000 0.75000000000000 118.710 > 9 34 Sn 0.62500000000000 0.37500000000000 0.75000000000000 118.710 > 9 35 Sn 0.12500000000000 0.87500000000000 0.75000000000000 118.710 > 9 36 Sn 0.62500000000000 0.87500000000000 0.75000000000000 118.710 > 9 37 Sn 0.37500000000000 0.37500000000000 0.25000000000000 118.710 > 10 38 Sn 0.87500000000000 0.37500000000000 0.25000000000000 118.710 > 10 39 Sn 0.37500000000000 0.87500000000000 0.25000000000000 118.710 > 10 40 Sn 0.87500000000000 0.87500000000000 0.25000000000000 118.710 > 10 41 Sn 0.12500000000000 0.12500000000000 0.25000000000000 118.710 > 11 42 Sn 0.62500000000000 0.12500000000000 0.25000000000000 118.710 > 11 43 Sn 0.12500000000000 0.62500000000000 0.25000000000000 118.710 > 11 44 Sn 0.62500000000000 0.62500000000000 0.25000000000000 118.710 > 11 45 Sn 0.37500000000000 0.12500000000000 0.75000000000000 118.710 > 12 46 Sn 0.87500000000000 0.12500000000000 0.75000000000000 118.710 > 12 47 Sn 0.37500000000000 0.62500000000000 0.75000000000000 118.710 > 12 48 Sn 0.87500000000000 0.62500000000000 0.75000000000000 118.710 > 12 *49 O 0.25000000000000 0.00000000000000 0.77995731324234 15.999 > 13 50 O 0.75000000000000 0.00000000000000 0.77995731324234 15.999 > 13 51 O 0.25000000000000 0.50000000000000 0.77995731324234 15.999 > 13 52 O 0.75000000000000 0.50000000000000 0.77995731324234 15.999 > 13 53 O 0.25000000000000 0.00000000000000 0.27995731324234 15.999 > 14 54 O 0.75000000000000 0.00000000000000 0.27995731324234 15.999 > 14 55 O 0.25000000000000 0.50000000000000 0.27995731324234 15.999 > 14 56 O 0.75000000000000 0.50000000000000 0.27995731324234 15.999 > 14 57 O 0.00000000000000 0.25000000000000 0.22004268675766 15.999 > 15 58 O 0.50000000000000 0.25000000000000 0.22004268675766 15.999 > 15 59 O 0.00000000000000 0.75000000000000 0.22004268675766 15.999 > 15 60 O 0.50000000000000 0.75000000000000 0.22004268675766 15.999 > 15 61 O 0.00000000000000 0.25000000000000 0.72004268675766 15.999 > 16 62 O 0.50000000000000 0.25000000000000 0.72004268675766 15.999 > 16 63 O 0.00000000000000 0.75000000000000 0.72004268675766 15.999 > 16 64 O 0.50000000000000 0.75000000000000 0.72004268675766 15.999 > 16 *65 O 0.10347295220311 0.35347295220311 0.91376276429545 15.999 > 17 66 O 0.60347295220311 0.35347295220311 0.91376276429545 15.999 > 17 67 O 0.10347295220311 0.85347295220311 0.91376276429545 15.999 > 17 68 O 0.60347295220311 0.85347295220311 0.91376276429545 15.999 > 17 69 O 0.39652704779689 0.35347295220311 0.41376276429545 15.999 > 18 70 O 0.89652704779689 0.35347295220311 0.41376276429545 15.999 > 18 71 O 0.39652704779689 0.85347295220311 0.41376276429545 15.999 > 18 72 O 0.89652704779689 0.85347295220311 0.41376276429545 15.999 > 18 73 O 0.10347295220311 0.14652704779689 0.41376276429545 15.999 > 19 74 O 0.60347295220311 0.14652704779689 0.41376276429545 15.999 > 19 75 O 0.10347295220311 0.64652704779689 0.41376276429545 15.999 > 19 76 O 0.60347295220311 0.64652704779689 0.41376276429545 15.999 > 19 77 O 0.35347295220311 0.39652704779689 0.08623723570455 15.999 > 20 78 O 0.85347295220311 0.39652704779689 0.08623723570455 15.999 > 20 79 O 0.35347295220311 0.89652704779689 0.08623723570455 15.999 > 20 80 O 0.85347295220311 0.89652704779689 0.08623723570455 15.999 > 20 81 O 0.14652704779689 0.10347295220311 0.08623723570455 15.999 > 21 82 O 0.64652704779689 0.10347295220311 0.08623723570455 15.999 > 21 83 O 0.14652704779689 0.60347295220311 0.08623723570455 15.999 > 21 84 O 0.64652704779689 0.60347295220311 0.08623723570455 15.999 > 21 85 O 0.39652704779689 0.14652704779689 0.91376276429545 15.999 > 22 86 O 0.89652704779689 0.14652704779689 0.91376276429545 15.999 > 22 87 O 0.39652704779689 0.64652704779689 0.91376276429545 15.999 > 22 88 O 0.89652704779689 0.64652704779689 0.91376276429545 15.999 > 22 89 O 0.35347295220311 0.10347295220311 0.58623723570455 15.999 > 23 90 O 0.85347295220311 0.10347295220311 0.58623723570455 15.999 > 23 91 O 0.35347295220311 0.60347295220311 0.58623723570455 15.999 > 23 92 O 0.85347295220311 0.60347295220311 0.58623723570455 15.999 > 23 93 O 0.14652704779689 0.39652704779689 0.58623723570455 15.999 > 24 94 O 0.64652704779689 0.39652704779689 0.58623723570455 15.999 > 24 95 O 0.14652704779689 0.89652704779689 0.58623723570455 15.999 > 24 96 O 0.64652704779689 0.89652704779689 0.58623723570455 15.999 > 24 *97 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 25 98 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 25 99 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 25 100 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 25 101 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 26 102 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 26 103 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 26 104 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 26 105 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 27 106 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 27 107 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 27 108 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 27 109 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 28 110 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 28 111 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 28 112 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0191684 0.0000000 0.0000000 0.0000000 4.0191684 0.0000000 0.0000000 0.0000000 3.9592309 -------------------------- Born effective charges -------------------------- 1 Sr 2.3720795 0.0783921 -0.0316202 0.0783921 2.3720795 -0.0316202 0.0189857 0.0189857 2.5963938 2 Sr 2.3720795 -0.0783921 0.0316202 -0.0783921 2.3720795 -0.0316202 -0.0189857 0.0189857 2.5963938 3 Sr 2.3720795 -0.0783921 -0.0316202 -0.0783921 2.3720795 0.0316202 0.0189857 -0.0189857 2.5963938 4 Sr 2.3720795 -0.0783921 0.0316202 -0.0783921 2.3720795 -0.0316202 -0.0189857 0.0189857 2.5963938 5 Sr 2.3720795 -0.0783921 -0.0316202 -0.0783921 2.3720795 0.0316202 0.0189857 -0.0189857 2.5963938 6 Sr 2.3720795 0.0783921 0.0316202 0.0783921 2.3720795 0.0316202 -0.0189857 -0.0189857 2.5963938 7 Sr 2.3720795 0.0783921 0.0316202 0.0783921 2.3720795 0.0316202 -0.0189857 -0.0189857 2.5963938 8 Sr 2.3720795 0.0783921 -0.0316202 0.0783921 2.3720795 -0.0316202 0.0189857 0.0189857 2.5963938 9 Sn 4.2734622 0.0030894 0.0844747 0.0030894 4.2734622 0.0844747 -0.1972999 -0.1972999 3.4920835 10 Sn 4.2734622 -0.0030894 -0.0844747 -0.0030894 4.2734622 0.0844747 0.1972999 -0.1972999 3.4920835 11 Sn 4.2734622 -0.0030894 0.0844747 -0.0030894 4.2734622 -0.0844747 -0.1972999 0.1972999 3.4920835 12 Sn 4.2734622 0.0030894 -0.0844747 0.0030894 4.2734622 -0.0844747 0.1972999 0.1972999 3.4920835 13 O -2.5519461 -0.5951949 0.0000000 -0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 14 O -2.5519461 0.5951949 0.0000000 0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 15 O -2.5519461 0.5951949 0.0000000 0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 16 O -2.5519461 -0.5951949 0.0000000 -0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 17 O -1.9541796 0.0134260 -0.0018073 0.0134260 -1.9541796 -0.0018073 -0.0355016 -0.0355016 -2.6966950 18 O -1.9541796 -0.0134260 0.0018073 -0.0134260 -1.9541796 -0.0018073 0.0355016 -0.0355016 -2.6966950 19 O -1.9541796 -0.0134260 -0.0018073 -0.0134260 -1.9541796 0.0018073 -0.0355016 0.0355016 -2.6966950 20 O -1.9541796 -0.0134260 0.0018073 -0.0134260 -1.9541796 -0.0018073 0.0355016 -0.0355016 -2.6966950 21 O -1.9541796 -0.0134260 -0.0018073 -0.0134260 -1.9541796 0.0018073 -0.0355016 0.0355016 -2.6966950 22 O -1.9541796 0.0134260 0.0018073 0.0134260 -1.9541796 0.0018073 0.0355016 0.0355016 -2.6966950 23 O -1.9541796 0.0134260 0.0018073 0.0134260 -1.9541796 0.0018073 0.0355016 0.0355016 -2.6966950 24 O -1.9541796 0.0134260 -0.0018073 0.0134260 -1.9541796 -0.0018073 -0.0355016 -0.0355016 -2.6966950 25 O -2.5573157 0.6796920 0.0000000 0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 26 O -2.5573157 -0.6796920 0.0000000 -0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 27 O -2.5573157 0.6796920 0.0000000 0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 28 O -2.5573157 -0.6796920 0.0000000 -0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 990 Number of blocks in projector: 990 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 213 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 155 Use standard eigh solver. Tree of FC basis block matrices: - (990, 969), data: False |-- (155, 150), data: True |-- (213, 208), data: True |-- (236, 231), data: True |-- (386, 380), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.053 Solver_block: 200 / 240 - Time: 1.061 Solver_block: 240 / 240 - Time: 0.494 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.629 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 990 Number of blocks in projector: 990 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 213 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 155 Use standard eigh solver. Tree of FC basis block matrices: - (990, 969), data: False |-- (155, 150), data: True |-- (213, 208), data: True |-- (236, 231), data: True |-- (386, 380), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:06:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:36]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/ncm (138) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.796051080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.796051080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): 1 Sr 0.26432010140839 0.76432010140839 0.10336925254139 87.620 2 Sr 0.73567989859161 0.76432010140839 0.60336925254139 87.620 3 Sr 0.26432010140839 0.23567989859161 0.60336925254139 87.620 4 Sr 0.76432010140839 0.73567989859161 0.89663074745861 87.620 5 Sr 0.23567989859161 0.26432010140839 0.89663074745861 87.620 6 Sr 0.73567989859161 0.23567989859161 0.10336925254139 87.620 7 Sr 0.76432010140839 0.26432010140839 0.39663074745861 87.620 8 Sr 0.23567989859161 0.73567989859161 0.39663074745861 87.620 9 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 10 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 11 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 12 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 13 O 0.50000000000000 0.00000000000000 0.77995731324234 15.999 14 O 0.50000000000000 0.00000000000000 0.27995731324234 15.999 15 O 0.00000000000000 0.50000000000000 0.22004268675766 15.999 16 O 0.00000000000000 0.50000000000000 0.72004268675766 15.999 17 O 0.20694590440622 0.70694590440622 0.91376276429545 15.999 18 O 0.79305409559378 0.70694590440622 0.41376276429545 15.999 19 O 0.20694590440622 0.29305409559378 0.41376276429545 15.999 20 O 0.70694590440622 0.79305409559378 0.08623723570455 15.999 21 O 0.29305409559378 0.20694590440622 0.08623723570455 15.999 22 O 0.79305409559378 0.29305409559378 0.91376276429545 15.999 23 O 0.70694590440622 0.20694590440622 0.58623723570455 15.999 24 O 0.29305409559378 0.79305409559378 0.58623723570455 15.999 25 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 26 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 27 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.592102160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.592102160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): 1 Sr 0.13216005070419 0.38216005070419 0.10336925254139 87.620 > 1 2 Sr 0.63216005070419 0.38216005070419 0.10336925254139 87.620 > 1 3 Sr 0.13216005070419 0.88216005070419 0.10336925254139 87.620 > 1 4 Sr 0.63216005070419 0.88216005070419 0.10336925254139 87.620 > 1 5 Sr 0.36783994929581 0.38216005070419 0.60336925254139 87.620 > 5 6 Sr 0.86783994929581 0.38216005070419 0.60336925254139 87.620 > 5 7 Sr 0.36783994929581 0.88216005070419 0.60336925254139 87.620 > 5 8 Sr 0.86783994929581 0.88216005070419 0.60336925254139 87.620 > 5 9 Sr 0.13216005070419 0.11783994929581 0.60336925254139 87.620 > 9 10 Sr 0.63216005070419 0.11783994929581 0.60336925254139 87.620 > 9 11 Sr 0.13216005070419 0.61783994929581 0.60336925254139 87.620 > 9 12 Sr 0.63216005070419 0.61783994929581 0.60336925254139 87.620 > 9 13 Sr 0.38216005070419 0.36783994929581 0.89663074745861 87.620 > 13 14 Sr 0.88216005070419 0.36783994929581 0.89663074745861 87.620 > 13 15 Sr 0.38216005070419 0.86783994929581 0.89663074745861 87.620 > 13 16 Sr 0.88216005070419 0.86783994929581 0.89663074745861 87.620 > 13 17 Sr 0.11783994929581 0.13216005070419 0.89663074745861 87.620 > 17 18 Sr 0.61783994929581 0.13216005070419 0.89663074745861 87.620 > 17 19 Sr 0.11783994929581 0.63216005070419 0.89663074745861 87.620 > 17 20 Sr 0.61783994929581 0.63216005070419 0.89663074745861 87.620 > 17 21 Sr 0.36783994929581 0.11783994929581 0.10336925254139 87.620 > 21 22 Sr 0.86783994929581 0.11783994929581 0.10336925254139 87.620 > 21 23 Sr 0.36783994929581 0.61783994929581 0.10336925254139 87.620 > 21 24 Sr 0.86783994929581 0.61783994929581 0.10336925254139 87.620 > 21 25 Sr 0.38216005070419 0.13216005070419 0.39663074745861 87.620 > 25 26 Sr 0.88216005070419 0.13216005070419 0.39663074745861 87.620 > 25 27 Sr 0.38216005070419 0.63216005070419 0.39663074745861 87.620 > 25 28 Sr 0.88216005070419 0.63216005070419 0.39663074745861 87.620 > 25 29 Sr 0.11783994929581 0.36783994929581 0.39663074745861 87.620 > 29 30 Sr 0.61783994929581 0.36783994929581 0.39663074745861 87.620 > 29 31 Sr 0.11783994929581 0.86783994929581 0.39663074745861 87.620 > 29 32 Sr 0.61783994929581 0.86783994929581 0.39663074745861 87.620 > 29 33 Sn 0.12500000000000 0.37500000000000 0.75000000000000 118.710 > 33 34 Sn 0.62500000000000 0.37500000000000 0.75000000000000 118.710 > 33 35 Sn 0.12500000000000 0.87500000000000 0.75000000000000 118.710 > 33 36 Sn 0.62500000000000 0.87500000000000 0.75000000000000 118.710 > 33 37 Sn 0.37500000000000 0.37500000000000 0.25000000000000 118.710 > 37 38 Sn 0.87500000000000 0.37500000000000 0.25000000000000 118.710 > 37 39 Sn 0.37500000000000 0.87500000000000 0.25000000000000 118.710 > 37 40 Sn 0.87500000000000 0.87500000000000 0.25000000000000 118.710 > 37 41 Sn 0.12500000000000 0.12500000000000 0.25000000000000 118.710 > 41 42 Sn 0.62500000000000 0.12500000000000 0.25000000000000 118.710 > 41 43 Sn 0.12500000000000 0.62500000000000 0.25000000000000 118.710 > 41 44 Sn 0.62500000000000 0.62500000000000 0.25000000000000 118.710 > 41 45 Sn 0.37500000000000 0.12500000000000 0.75000000000000 118.710 > 45 46 Sn 0.87500000000000 0.12500000000000 0.75000000000000 118.710 > 45 47 Sn 0.37500000000000 0.62500000000000 0.75000000000000 118.710 > 45 48 Sn 0.87500000000000 0.62500000000000 0.75000000000000 118.710 > 45 49 O 0.25000000000000 0.00000000000000 0.77995731324234 15.999 > 49 50 O 0.75000000000000 0.00000000000000 0.77995731324234 15.999 > 49 51 O 0.25000000000000 0.50000000000000 0.77995731324234 15.999 > 49 52 O 0.75000000000000 0.50000000000000 0.77995731324234 15.999 > 49 53 O 0.25000000000000 0.00000000000000 0.27995731324234 15.999 > 53 54 O 0.75000000000000 0.00000000000000 0.27995731324234 15.999 > 53 55 O 0.25000000000000 0.50000000000000 0.27995731324234 15.999 > 53 56 O 0.75000000000000 0.50000000000000 0.27995731324234 15.999 > 53 57 O 0.00000000000000 0.25000000000000 0.22004268675766 15.999 > 57 58 O 0.50000000000000 0.25000000000000 0.22004268675766 15.999 > 57 59 O 0.00000000000000 0.75000000000000 0.22004268675766 15.999 > 57 60 O 0.50000000000000 0.75000000000000 0.22004268675766 15.999 > 57 61 O 0.00000000000000 0.25000000000000 0.72004268675766 15.999 > 61 62 O 0.50000000000000 0.25000000000000 0.72004268675766 15.999 > 61 63 O 0.00000000000000 0.75000000000000 0.72004268675766 15.999 > 61 64 O 0.50000000000000 0.75000000000000 0.72004268675766 15.999 > 61 65 O 0.10347295220311 0.35347295220311 0.91376276429545 15.999 > 65 66 O 0.60347295220311 0.35347295220311 0.91376276429545 15.999 > 65 67 O 0.10347295220311 0.85347295220311 0.91376276429545 15.999 > 65 68 O 0.60347295220311 0.85347295220311 0.91376276429545 15.999 > 65 69 O 0.39652704779689 0.35347295220311 0.41376276429545 15.999 > 69 70 O 0.89652704779689 0.35347295220311 0.41376276429545 15.999 > 69 71 O 0.39652704779689 0.85347295220311 0.41376276429545 15.999 > 69 72 O 0.89652704779689 0.85347295220311 0.41376276429545 15.999 > 69 73 O 0.10347295220311 0.14652704779689 0.41376276429545 15.999 > 73 74 O 0.60347295220311 0.14652704779689 0.41376276429545 15.999 > 73 75 O 0.10347295220311 0.64652704779689 0.41376276429545 15.999 > 73 76 O 0.60347295220311 0.64652704779689 0.41376276429545 15.999 > 73 77 O 0.35347295220311 0.39652704779689 0.08623723570455 15.999 > 77 78 O 0.85347295220311 0.39652704779689 0.08623723570455 15.999 > 77 79 O 0.35347295220311 0.89652704779689 0.08623723570455 15.999 > 77 80 O 0.85347295220311 0.89652704779689 0.08623723570455 15.999 > 77 81 O 0.14652704779689 0.10347295220311 0.08623723570455 15.999 > 81 82 O 0.64652704779689 0.10347295220311 0.08623723570455 15.999 > 81 83 O 0.14652704779689 0.60347295220311 0.08623723570455 15.999 > 81 84 O 0.64652704779689 0.60347295220311 0.08623723570455 15.999 > 81 85 O 0.39652704779689 0.14652704779689 0.91376276429545 15.999 > 85 86 O 0.89652704779689 0.14652704779689 0.91376276429545 15.999 > 85 87 O 0.39652704779689 0.64652704779689 0.91376276429545 15.999 > 85 88 O 0.89652704779689 0.64652704779689 0.91376276429545 15.999 > 85 89 O 0.35347295220311 0.10347295220311 0.58623723570455 15.999 > 89 90 O 0.85347295220311 0.10347295220311 0.58623723570455 15.999 > 89 91 O 0.35347295220311 0.60347295220311 0.58623723570455 15.999 > 89 92 O 0.85347295220311 0.60347295220311 0.58623723570455 15.999 > 89 93 O 0.14652704779689 0.39652704779689 0.58623723570455 15.999 > 93 94 O 0.64652704779689 0.39652704779689 0.58623723570455 15.999 > 93 95 O 0.14652704779689 0.89652704779689 0.58623723570455 15.999 > 93 96 O 0.64652704779689 0.89652704779689 0.58623723570455 15.999 > 93 97 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 97 98 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 97 99 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 97 100 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 97 101 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 101 102 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 101 103 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 101 104 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 101 105 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 105 106 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 105 107 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 105 108 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 105 109 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 109 110 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 109 111 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 109 112 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0191684 0.0000000 0.0000000 0.0000000 4.0191684 0.0000000 0.0000000 0.0000000 3.9592309 -------------------------- Born effective charges -------------------------- 1 Sr 2.3720795 0.0783921 -0.0316202 0.0783921 2.3720795 -0.0316202 0.0189857 0.0189857 2.5963938 2 Sr 2.3720795 -0.0783921 0.0316202 -0.0783921 2.3720795 -0.0316202 -0.0189857 0.0189857 2.5963938 3 Sr 2.3720795 -0.0783921 -0.0316202 -0.0783921 2.3720795 0.0316202 0.0189857 -0.0189857 2.5963938 4 Sr 2.3720795 -0.0783921 0.0316202 -0.0783921 2.3720795 -0.0316202 -0.0189857 0.0189857 2.5963938 5 Sr 2.3720795 -0.0783921 -0.0316202 -0.0783921 2.3720795 0.0316202 0.0189857 -0.0189857 2.5963938 6 Sr 2.3720795 0.0783921 0.0316202 0.0783921 2.3720795 0.0316202 -0.0189857 -0.0189857 2.5963938 7 Sr 2.3720795 0.0783921 0.0316202 0.0783921 2.3720795 0.0316202 -0.0189857 -0.0189857 2.5963938 8 Sr 2.3720795 0.0783921 -0.0316202 0.0783921 2.3720795 -0.0316202 0.0189857 0.0189857 2.5963938 9 Sn 4.2734622 0.0030894 0.0844747 0.0030894 4.2734622 0.0844747 -0.1972999 -0.1972999 3.4920835 10 Sn 4.2734622 -0.0030894 -0.0844747 -0.0030894 4.2734622 0.0844747 0.1972999 -0.1972999 3.4920835 11 Sn 4.2734622 -0.0030894 0.0844747 -0.0030894 4.2734622 -0.0844747 -0.1972999 0.1972999 3.4920835 12 Sn 4.2734622 0.0030894 -0.0844747 0.0030894 4.2734622 -0.0844747 0.1972999 0.1972999 3.4920835 13 O -2.5519461 -0.5951949 0.0000000 -0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 14 O -2.5519461 0.5951949 0.0000000 0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 15 O -2.5519461 0.5951949 0.0000000 0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 16 O -2.5519461 -0.5951949 0.0000000 -0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 17 O -1.9541796 0.0134260 -0.0018073 0.0134260 -1.9541796 -0.0018073 -0.0355016 -0.0355016 -2.6966950 18 O -1.9541796 -0.0134260 0.0018073 -0.0134260 -1.9541796 -0.0018073 0.0355016 -0.0355016 -2.6966950 19 O -1.9541796 -0.0134260 -0.0018073 -0.0134260 -1.9541796 0.0018073 -0.0355016 0.0355016 -2.6966950 20 O -1.9541796 -0.0134260 0.0018073 -0.0134260 -1.9541796 -0.0018073 0.0355016 -0.0355016 -2.6966950 21 O -1.9541796 -0.0134260 -0.0018073 -0.0134260 -1.9541796 0.0018073 -0.0355016 0.0355016 -2.6966950 22 O -1.9541796 0.0134260 0.0018073 0.0134260 -1.9541796 0.0018073 0.0355016 0.0355016 -2.6966950 23 O -1.9541796 0.0134260 0.0018073 0.0134260 -1.9541796 0.0018073 0.0355016 0.0355016 -2.6966950 24 O -1.9541796 0.0134260 -0.0018073 0.0134260 -1.9541796 -0.0018073 -0.0355016 -0.0355016 -2.6966950 25 O -2.5573157 0.6796920 0.0000000 0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 26 O -2.5573157 -0.6796920 0.0000000 -0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 27 O -2.5573157 0.6796920 0.0000000 0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 28 O -2.5573157 -0.6796920 0.0000000 -0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/ncm (138) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.796051080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.796051080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): 1 Sr 0.26432010140839 0.76432010140839 0.10336925254139 87.620 2 Sr 0.73567989859161 0.76432010140839 0.60336925254139 87.620 3 Sr 0.26432010140839 0.23567989859161 0.60336925254139 87.620 4 Sr 0.76432010140839 0.73567989859161 0.89663074745861 87.620 5 Sr 0.23567989859161 0.26432010140839 0.89663074745861 87.620 6 Sr 0.73567989859161 0.23567989859161 0.10336925254139 87.620 7 Sr 0.76432010140839 0.26432010140839 0.39663074745861 87.620 8 Sr 0.23567989859161 0.73567989859161 0.39663074745861 87.620 9 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 10 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 11 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 12 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 13 O 0.50000000000000 0.00000000000000 0.77995731324234 15.999 14 O 0.50000000000000 0.00000000000000 0.27995731324234 15.999 15 O 0.00000000000000 0.50000000000000 0.22004268675766 15.999 16 O 0.00000000000000 0.50000000000000 0.72004268675766 15.999 17 O 0.20694590440622 0.70694590440622 0.91376276429545 15.999 18 O 0.79305409559378 0.70694590440622 0.41376276429545 15.999 19 O 0.20694590440622 0.29305409559378 0.41376276429545 15.999 20 O 0.70694590440622 0.79305409559378 0.08623723570455 15.999 21 O 0.29305409559378 0.20694590440622 0.08623723570455 15.999 22 O 0.79305409559378 0.29305409559378 0.91376276429545 15.999 23 O 0.70694590440622 0.20694590440622 0.58623723570455 15.999 24 O 0.29305409559378 0.79305409559378 0.58623723570455 15.999 25 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 26 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 27 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.592102160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.592102160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.383557240000000 Atomic positions (fractional): 1 Sr 0.13216005070419 0.38216005070419 0.10336925254139 87.620 > 1 2 Sr 0.63216005070419 0.38216005070419 0.10336925254139 87.620 > 1 3 Sr 0.13216005070419 0.88216005070419 0.10336925254139 87.620 > 1 4 Sr 0.63216005070419 0.88216005070419 0.10336925254139 87.620 > 1 5 Sr 0.36783994929581 0.38216005070419 0.60336925254139 87.620 > 5 6 Sr 0.86783994929581 0.38216005070419 0.60336925254139 87.620 > 5 7 Sr 0.36783994929581 0.88216005070419 0.60336925254139 87.620 > 5 8 Sr 0.86783994929581 0.88216005070419 0.60336925254139 87.620 > 5 9 Sr 0.13216005070419 0.11783994929581 0.60336925254139 87.620 > 9 10 Sr 0.63216005070419 0.11783994929581 0.60336925254139 87.620 > 9 11 Sr 0.13216005070419 0.61783994929581 0.60336925254139 87.620 > 9 12 Sr 0.63216005070419 0.61783994929581 0.60336925254139 87.620 > 9 13 Sr 0.38216005070419 0.36783994929581 0.89663074745861 87.620 > 13 14 Sr 0.88216005070419 0.36783994929581 0.89663074745861 87.620 > 13 15 Sr 0.38216005070419 0.86783994929581 0.89663074745861 87.620 > 13 16 Sr 0.88216005070419 0.86783994929581 0.89663074745861 87.620 > 13 17 Sr 0.11783994929581 0.13216005070419 0.89663074745861 87.620 > 17 18 Sr 0.61783994929581 0.13216005070419 0.89663074745861 87.620 > 17 19 Sr 0.11783994929581 0.63216005070419 0.89663074745861 87.620 > 17 20 Sr 0.61783994929581 0.63216005070419 0.89663074745861 87.620 > 17 21 Sr 0.36783994929581 0.11783994929581 0.10336925254139 87.620 > 21 22 Sr 0.86783994929581 0.11783994929581 0.10336925254139 87.620 > 21 23 Sr 0.36783994929581 0.61783994929581 0.10336925254139 87.620 > 21 24 Sr 0.86783994929581 0.61783994929581 0.10336925254139 87.620 > 21 25 Sr 0.38216005070419 0.13216005070419 0.39663074745861 87.620 > 25 26 Sr 0.88216005070419 0.13216005070419 0.39663074745861 87.620 > 25 27 Sr 0.38216005070419 0.63216005070419 0.39663074745861 87.620 > 25 28 Sr 0.88216005070419 0.63216005070419 0.39663074745861 87.620 > 25 29 Sr 0.11783994929581 0.36783994929581 0.39663074745861 87.620 > 29 30 Sr 0.61783994929581 0.36783994929581 0.39663074745861 87.620 > 29 31 Sr 0.11783994929581 0.86783994929581 0.39663074745861 87.620 > 29 32 Sr 0.61783994929581 0.86783994929581 0.39663074745861 87.620 > 29 33 Sn 0.12500000000000 0.37500000000000 0.75000000000000 118.710 > 33 34 Sn 0.62500000000000 0.37500000000000 0.75000000000000 118.710 > 33 35 Sn 0.12500000000000 0.87500000000000 0.75000000000000 118.710 > 33 36 Sn 0.62500000000000 0.87500000000000 0.75000000000000 118.710 > 33 37 Sn 0.37500000000000 0.37500000000000 0.25000000000000 118.710 > 37 38 Sn 0.87500000000000 0.37500000000000 0.25000000000000 118.710 > 37 39 Sn 0.37500000000000 0.87500000000000 0.25000000000000 118.710 > 37 40 Sn 0.87500000000000 0.87500000000000 0.25000000000000 118.710 > 37 41 Sn 0.12500000000000 0.12500000000000 0.25000000000000 118.710 > 41 42 Sn 0.62500000000000 0.12500000000000 0.25000000000000 118.710 > 41 43 Sn 0.12500000000000 0.62500000000000 0.25000000000000 118.710 > 41 44 Sn 0.62500000000000 0.62500000000000 0.25000000000000 118.710 > 41 45 Sn 0.37500000000000 0.12500000000000 0.75000000000000 118.710 > 45 46 Sn 0.87500000000000 0.12500000000000 0.75000000000000 118.710 > 45 47 Sn 0.37500000000000 0.62500000000000 0.75000000000000 118.710 > 45 48 Sn 0.87500000000000 0.62500000000000 0.75000000000000 118.710 > 45 49 O 0.25000000000000 0.00000000000000 0.77995731324234 15.999 > 49 50 O 0.75000000000000 0.00000000000000 0.77995731324234 15.999 > 49 51 O 0.25000000000000 0.50000000000000 0.77995731324234 15.999 > 49 52 O 0.75000000000000 0.50000000000000 0.77995731324234 15.999 > 49 53 O 0.25000000000000 0.00000000000000 0.27995731324234 15.999 > 53 54 O 0.75000000000000 0.00000000000000 0.27995731324234 15.999 > 53 55 O 0.25000000000000 0.50000000000000 0.27995731324234 15.999 > 53 56 O 0.75000000000000 0.50000000000000 0.27995731324234 15.999 > 53 57 O 0.00000000000000 0.25000000000000 0.22004268675766 15.999 > 57 58 O 0.50000000000000 0.25000000000000 0.22004268675766 15.999 > 57 59 O 0.00000000000000 0.75000000000000 0.22004268675766 15.999 > 57 60 O 0.50000000000000 0.75000000000000 0.22004268675766 15.999 > 57 61 O 0.00000000000000 0.25000000000000 0.72004268675766 15.999 > 61 62 O 0.50000000000000 0.25000000000000 0.72004268675766 15.999 > 61 63 O 0.00000000000000 0.75000000000000 0.72004268675766 15.999 > 61 64 O 0.50000000000000 0.75000000000000 0.72004268675766 15.999 > 61 65 O 0.10347295220311 0.35347295220311 0.91376276429545 15.999 > 65 66 O 0.60347295220311 0.35347295220311 0.91376276429545 15.999 > 65 67 O 0.10347295220311 0.85347295220311 0.91376276429545 15.999 > 65 68 O 0.60347295220311 0.85347295220311 0.91376276429545 15.999 > 65 69 O 0.39652704779689 0.35347295220311 0.41376276429545 15.999 > 69 70 O 0.89652704779689 0.35347295220311 0.41376276429545 15.999 > 69 71 O 0.39652704779689 0.85347295220311 0.41376276429545 15.999 > 69 72 O 0.89652704779689 0.85347295220311 0.41376276429545 15.999 > 69 73 O 0.10347295220311 0.14652704779689 0.41376276429545 15.999 > 73 74 O 0.60347295220311 0.14652704779689 0.41376276429545 15.999 > 73 75 O 0.10347295220311 0.64652704779689 0.41376276429545 15.999 > 73 76 O 0.60347295220311 0.64652704779689 0.41376276429545 15.999 > 73 77 O 0.35347295220311 0.39652704779689 0.08623723570455 15.999 > 77 78 O 0.85347295220311 0.39652704779689 0.08623723570455 15.999 > 77 79 O 0.35347295220311 0.89652704779689 0.08623723570455 15.999 > 77 80 O 0.85347295220311 0.89652704779689 0.08623723570455 15.999 > 77 81 O 0.14652704779689 0.10347295220311 0.08623723570455 15.999 > 81 82 O 0.64652704779689 0.10347295220311 0.08623723570455 15.999 > 81 83 O 0.14652704779689 0.60347295220311 0.08623723570455 15.999 > 81 84 O 0.64652704779689 0.60347295220311 0.08623723570455 15.999 > 81 85 O 0.39652704779689 0.14652704779689 0.91376276429545 15.999 > 85 86 O 0.89652704779689 0.14652704779689 0.91376276429545 15.999 > 85 87 O 0.39652704779689 0.64652704779689 0.91376276429545 15.999 > 85 88 O 0.89652704779689 0.64652704779689 0.91376276429545 15.999 > 85 89 O 0.35347295220311 0.10347295220311 0.58623723570455 15.999 > 89 90 O 0.85347295220311 0.10347295220311 0.58623723570455 15.999 > 89 91 O 0.35347295220311 0.60347295220311 0.58623723570455 15.999 > 89 92 O 0.85347295220311 0.60347295220311 0.58623723570455 15.999 > 89 93 O 0.14652704779689 0.39652704779689 0.58623723570455 15.999 > 93 94 O 0.64652704779689 0.39652704779689 0.58623723570455 15.999 > 93 95 O 0.14652704779689 0.89652704779689 0.58623723570455 15.999 > 93 96 O 0.64652704779689 0.89652704779689 0.58623723570455 15.999 > 93 97 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 97 98 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 97 99 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 97 100 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 97 101 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 101 102 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 101 103 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 101 104 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 101 105 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 105 106 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 105 107 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 105 108 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 105 109 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 109 110 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 109 111 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 109 112 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0191684 0.0000000 0.0000000 0.0000000 4.0191684 0.0000000 0.0000000 0.0000000 3.9592309 -------------------------- Born effective charges -------------------------- 1 Sr 2.3720795 0.0783921 -0.0316202 0.0783921 2.3720795 -0.0316202 0.0189857 0.0189857 2.5963938 2 Sr 2.3720795 -0.0783921 0.0316202 -0.0783921 2.3720795 -0.0316202 -0.0189857 0.0189857 2.5963938 3 Sr 2.3720795 -0.0783921 -0.0316202 -0.0783921 2.3720795 0.0316202 0.0189857 -0.0189857 2.5963938 4 Sr 2.3720795 -0.0783921 0.0316202 -0.0783921 2.3720795 -0.0316202 -0.0189857 0.0189857 2.5963938 5 Sr 2.3720795 -0.0783921 -0.0316202 -0.0783921 2.3720795 0.0316202 0.0189857 -0.0189857 2.5963938 6 Sr 2.3720795 0.0783921 0.0316202 0.0783921 2.3720795 0.0316202 -0.0189857 -0.0189857 2.5963938 7 Sr 2.3720795 0.0783921 0.0316202 0.0783921 2.3720795 0.0316202 -0.0189857 -0.0189857 2.5963938 8 Sr 2.3720795 0.0783921 -0.0316202 0.0783921 2.3720795 -0.0316202 0.0189857 0.0189857 2.5963938 9 Sn 4.2734622 0.0030894 0.0844747 0.0030894 4.2734622 0.0844747 -0.1972999 -0.1972999 3.4920835 10 Sn 4.2734622 -0.0030894 -0.0844747 -0.0030894 4.2734622 0.0844747 0.1972999 -0.1972999 3.4920835 11 Sn 4.2734622 -0.0030894 0.0844747 -0.0030894 4.2734622 -0.0844747 -0.1972999 0.1972999 3.4920835 12 Sn 4.2734622 0.0030894 -0.0844747 0.0030894 4.2734622 -0.0844747 0.1972999 0.1972999 3.4920835 13 O -2.5519461 -0.5951949 0.0000000 -0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 14 O -2.5519461 0.5951949 0.0000000 0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 15 O -2.5519461 0.5951949 0.0000000 0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 16 O -2.5519461 -0.5951949 0.0000000 -0.5951949 -2.5519461 0.0000000 0.0000000 0.0000000 -1.6713508 17 O -1.9541796 0.0134260 -0.0018073 0.0134260 -1.9541796 -0.0018073 -0.0355016 -0.0355016 -2.6966950 18 O -1.9541796 -0.0134260 0.0018073 -0.0134260 -1.9541796 -0.0018073 0.0355016 -0.0355016 -2.6966950 19 O -1.9541796 -0.0134260 -0.0018073 -0.0134260 -1.9541796 0.0018073 -0.0355016 0.0355016 -2.6966950 20 O -1.9541796 -0.0134260 0.0018073 -0.0134260 -1.9541796 -0.0018073 0.0355016 -0.0355016 -2.6966950 21 O -1.9541796 -0.0134260 -0.0018073 -0.0134260 -1.9541796 0.0018073 -0.0355016 0.0355016 -2.6966950 22 O -1.9541796 0.0134260 0.0018073 0.0134260 -1.9541796 0.0018073 0.0355016 0.0355016 -2.6966950 23 O -1.9541796 0.0134260 0.0018073 0.0134260 -1.9541796 0.0018073 0.0355016 0.0355016 -2.6966950 24 O -1.9541796 0.0134260 -0.0018073 0.0134260 -1.9541796 -0.0018073 -0.0355016 -0.0355016 -2.6966950 25 O -2.5573157 0.6796920 0.0000000 0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 26 O -2.5573157 -0.6796920 0.0000000 -0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 27 O -2.5573157 0.6796920 0.0000000 0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 28 O -2.5573157 -0.6796920 0.0000000 -0.6796920 -2.5573157 0.0000000 0.0000000 0.0000000 -1.6201303 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.797 ( -0.000 -0.000 0.000) 0.000 1.797 ( 0.000 0.000 -0.000) 0.000 1.968 ( 0.000 -0.000 0.000) 0.000 1.968 ( -0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 -0.000) 0.000 3.052 ( 0.000 0.000 -0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 -0.000 -0.000) 0.000 3.492 ( -0.000 0.000 -0.000) 0.000 3.628 ( 0.000 0.000 -0.000) 0.000 3.693 ( 0.000 0.000 -0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 -0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 -0.000) 0.000 3.908 ( -0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 -0.000 -0.000) 0.000 4.279 ( -0.000 0.000 0.000) 0.000 4.529 ( 0.000 -0.000 0.000) 0.000 4.529 ( -0.000 0.000 -0.000) 0.000 4.679 ( 0.000 0.000 -0.000) 0.000 4.784 ( -0.000 0.000 0.000) 0.000 4.889 ( -0.000 0.000 -0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.944 ( -0.000 0.000 0.000) 0.000 5.067 ( -0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 -0.000) 0.000 6.122 ( 0.000 -0.000 -0.000) 0.000 6.143 ( -0.000 0.000 -0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.526 ( -0.000 0.000 0.000) 0.000 6.526 ( -0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 -0.000) 0.000 6.647 ( -0.000 0.000 0.000) 0.000 7.224 ( -0.000 0.000 0.000) 0.000 7.224 ( -0.000 0.000 0.000) 0.000 7.293 ( -0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 -0.000 0.000) 0.000 7.672 ( -0.000 0.000 -0.000) 0.000 7.800 ( 0.000 -0.000 -0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 -0.000) 0.000 7.822 ( 0.000 0.000 -0.000) 0.000 7.860 ( -0.000 0.000 -0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 -0.000) 0.000 9.664 ( 0.000 0.000 -0.000) 0.000 9.696 ( -0.000 0.000 -0.000) 0.000 9.765 ( 0.000 0.000 -0.000) 0.000 9.826 ( 0.000 0.000 -0.000) 0.000 10.180 ( 0.000 0.000 -0.000) 0.000 10.244 ( -0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.559 ( -0.000 0.000 -0.000) 0.000 10.774 ( -0.000 0.000 -0.000) 0.000 11.043 ( 0.000 -0.000 0.000) 0.000 11.043 ( 0.000 0.000 -0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 -0.000 -0.000) 0.000 15.848 ( -0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 -0.000) 0.000 16.203 ( 0.000 0.000 0.000) 0.000 16.203 ( -0.000 0.000 -0.000) 0.000 16.259 ( -0.000 0.000 -0.000) 0.000 16.777 ( -0.000 0.000 0.000) 0.000 17.650 ( 0.000 -0.000 0.000) 0.000 17.984 ( 0.000 0.000 -0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.578 ( 0.000 0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 21.796 ( 0.000 0.000 -0.000) 0.000 21.796 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 30.685 0.000 0.000) 30.685 0.681 ( 34.566 0.000 0.000) 34.566 0.983 ( 47.694 0.000 0.000) 47.694 2.042 ( 20.493 0.000 0.000) 20.493 2.069 ( 24.021 0.000 0.000) 24.021 2.097 ( 10.501 0.000 0.000) 10.501 2.107 ( 13.463 0.000 0.000) 13.463 2.778 ( 10.606 0.000 0.000) 10.606 2.868 ( -14.937 0.000 0.000) 14.937 3.128 ( 1.250 0.000 0.000) 1.250 3.129 ( 1.404 0.000 0.000) 1.404 3.232 ( -0.770 0.000 0.000) 0.770 3.457 ( -3.344 0.000 0.000) 3.344 3.535 ( -6.225 0.000 0.000) 6.225 3.640 ( -5.117 0.000 0.000) 5.117 3.700 ( -12.874 0.000 0.000) 12.874 3.731 ( -3.569 0.000 0.000) 3.569 3.763 ( 4.045 0.000 0.000) 4.045 3.847 ( -5.471 0.000 0.000) 5.471 3.969 ( 7.483 0.000 0.000) 7.483 3.981 ( 5.035 0.000 0.000) 5.035 4.147 ( -4.441 0.000 0.000) 4.441 4.289 ( -16.400 0.000 0.000) 16.400 4.345 ( 3.854 0.000 0.000) 3.854 4.375 ( 9.018 0.000 0.000) 9.018 4.544 ( 3.466 0.000 0.000) 3.466 4.561 ( 2.648 0.000 0.000) 2.648 4.823 ( 3.877 0.000 0.000) 3.877 4.851 ( -1.615 0.000 0.000) 1.615 4.893 ( -5.162 0.000 0.000) 5.162 5.010 ( 5.633 0.000 0.000) 5.633 5.036 ( -2.344 0.000 0.000) 2.344 5.226 ( 20.118 0.000 0.000) 20.118 5.312 ( -0.766 0.000 0.000) 0.766 5.931 ( -7.924 0.000 0.000) 7.924 6.217 ( -1.182 0.000 0.000) 1.182 6.346 ( -0.482 0.000 0.000) 0.482 6.372 ( 11.106 0.000 0.000) 11.106 6.375 ( -4.842 0.000 0.000) 4.842 6.507 ( -14.160 0.000 0.000) 14.160 6.587 ( 5.189 0.000 0.000) 5.189 6.623 ( -1.299 0.000 0.000) 1.299 6.722 ( 13.983 0.000 0.000) 13.983 7.076 ( -10.653 0.000 0.000) 10.653 7.161 ( -8.807 0.000 0.000) 8.807 7.285 ( -5.132 0.000 0.000) 5.132 7.371 ( 7.445 0.000 0.000) 7.445 7.421 ( -17.267 0.000 0.000) 17.267 7.672 ( -0.617 0.000 0.000) 0.617 7.750 ( -0.942 0.000 0.000) 0.942 7.875 ( 5.607 0.000 0.000) 5.607 7.922 ( 6.605 0.000 0.000) 6.605 8.040 ( 18.164 0.000 0.000) 18.164 8.279 ( 19.524 0.000 0.000) 19.524 8.281 ( 21.809 0.000 0.000) 21.809 9.558 ( -10.989 0.000 0.000) 10.989 9.620 ( -7.333 0.000 0.000) 7.333 9.769 ( -0.022 0.000 0.000) 0.022 9.833 ( 0.177 0.000 0.000) 0.177 10.047 ( -13.267 0.000 0.000) 13.267 10.264 ( 1.432 0.000 0.000) 1.432 10.291 ( 0.772 0.000 0.000) 0.772 10.469 ( -6.753 0.000 0.000) 6.753 10.794 ( 2.580 0.000 0.000) 2.580 11.061 ( 1.329 0.000 0.000) 1.329 11.173 ( 10.968 0.000 0.000) 10.968 11.842 ( -0.456 0.000 0.000) 0.456 12.211 ( -1.071 0.000 0.000) 1.071 14.594 ( 4.254 0.000 0.000) 4.254 14.616 ( 6.452 0.000 0.000) 6.452 15.969 ( 12.324 0.000 0.000) 12.324 15.971 ( 12.552 0.000 0.000) 12.552 16.208 ( -0.366 0.000 0.000) 0.366 16.229 ( 2.696 0.000 0.000) 2.696 16.259 ( 0.067 0.000 0.000) 0.067 16.692 ( -8.496 0.000 0.000) 8.496 17.547 ( -35.610 0.000 0.000) 35.610 17.566 ( -8.292 0.000 0.000) 8.292 18.519 ( -4.253 0.000 0.000) 4.253 18.609 ( -1.619 0.000 0.000) 1.619 20.193 ( 25.529 0.000 0.000) 25.529 21.240 ( 3.241 0.000 0.000) 3.241 21.783 ( -1.327 0.000 0.000) 1.327 21.788 ( -0.894 0.000 0.000) 0.894 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 28.065 0.000 0.000) 28.065 1.309 ( 30.512 0.000 0.000) 30.512 1.743 ( 29.230 0.000 0.000) 29.230 2.209 ( -2.388 0.000 0.000) 2.388 2.252 ( -7.200 0.000 0.000) 7.200 2.428 ( 18.563 0.000 0.000) 18.563 2.530 ( 20.736 0.000 0.000) 20.736 2.665 ( -0.639 0.000 0.000) 0.639 3.010 ( 9.103 0.000 0.000) 9.103 3.101 ( -5.367 0.000 0.000) 5.367 3.188 ( 0.492 0.000 0.000) 0.492 3.273 ( 11.120 0.000 0.000) 11.120 3.413 ( 0.053 0.000 0.000) 0.053 3.439 ( -12.974 0.000 0.000) 12.974 3.468 ( 1.230 0.000 0.000) 1.230 3.540 ( -2.153 0.000 0.000) 2.153 3.682 ( 0.902 0.000 0.000) 0.902 3.742 ( -4.808 0.000 0.000) 4.808 3.816 ( 1.078 0.000 0.000) 1.078 3.999 ( -12.101 0.000 0.000) 12.101 4.081 ( -2.366 0.000 0.000) 2.366 4.160 ( 15.132 0.000 0.000) 15.132 4.196 ( 15.699 0.000 0.000) 15.699 4.384 ( -0.475 0.000 0.000) 0.475 4.481 ( 0.306 0.000 0.000) 0.306 4.651 ( 7.475 0.000 0.000) 7.475 4.692 ( 10.383 0.000 0.000) 10.383 4.758 ( -8.320 0.000 0.000) 8.320 4.885 ( 3.820 0.000 0.000) 3.820 4.958 ( 12.599 0.000 0.000) 12.599 5.038 ( 3.812 0.000 0.000) 3.812 5.097 ( 1.813 0.000 0.000) 1.813 5.281 ( -2.703 0.000 0.000) 2.703 5.537 ( 11.352 0.000 0.000) 11.352 5.823 ( -3.594 0.000 0.000) 3.594 6.169 ( -18.537 0.000 0.000) 18.537 6.204 ( 1.269 0.000 0.000) 1.269 6.220 ( -10.703 0.000 0.000) 10.703 6.417 ( 6.481 0.000 0.000) 6.481 6.531 ( 4.691 0.000 0.000) 4.691 6.580 ( -5.316 0.000 0.000) 5.316 6.677 ( 4.022 0.000 0.000) 4.022 6.867 ( -11.628 0.000 0.000) 11.628 6.873 ( -15.989 0.000 0.000) 15.989 6.980 ( 11.089 0.000 0.000) 11.089 7.147 ( -9.228 0.000 0.000) 9.228 7.228 ( -6.280 0.000 0.000) 6.280 7.555 ( 11.523 0.000 0.000) 11.523 7.640 ( -2.963 0.000 0.000) 2.963 7.763 ( 4.236 0.000 0.000) 4.236 7.987 ( 6.813 0.000 0.000) 6.813 8.115 ( 13.297 0.000 0.000) 13.297 8.413 ( 19.738 0.000 0.000) 19.738 8.666 ( 17.769 0.000 0.000) 17.769 8.829 ( 34.409 0.000 0.000) 34.409 9.269 ( -18.301 0.000 0.000) 18.301 9.434 ( -11.185 0.000 0.000) 11.185 9.712 ( -20.630 0.000 0.000) 20.630 9.739 ( -3.664 0.000 0.000) 3.664 9.788 ( -6.379 0.000 0.000) 6.379 10.267 ( -1.612 0.000 0.000) 1.612 10.326 ( 2.993 0.000 0.000) 2.993 10.372 ( -2.123 0.000 0.000) 2.123 10.895 ( 8.294 0.000 0.000) 8.294 11.064 ( -1.753 0.000 0.000) 1.753 11.401 ( 12.166 0.000 0.000) 12.166 11.817 ( -2.520 0.000 0.000) 2.520 12.177 ( -2.606 0.000 0.000) 2.606 14.716 ( 8.525 0.000 0.000) 8.525 14.793 ( 11.752 0.000 0.000) 11.752 16.188 ( -2.395 0.000 0.000) 2.395 16.247 ( 3.153 0.000 0.000) 3.153 16.296 ( 3.293 0.000 0.000) 3.293 16.310 ( 22.112 0.000 0.000) 22.112 16.316 ( 18.621 0.000 0.000) 18.621 16.478 ( -12.642 0.000 0.000) 12.642 16.841 ( -34.814 0.000 0.000) 34.814 17.358 ( -12.688 0.000 0.000) 12.688 18.386 ( -9.875 0.000 0.000) 9.875 18.485 ( -10.858 0.000 0.000) 10.858 20.706 ( 25.445 0.000 0.000) 25.445 21.325 ( 5.407 0.000 0.000) 5.407 21.745 ( -2.672 0.000 0.000) 2.672 21.761 ( -1.881 0.000 0.000) 1.881 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 21.419 0.000 0.000) 21.419 1.823 ( 19.025 0.000 0.000) 19.025 1.951 ( -17.559 0.000 0.000) 17.559 2.026 ( -9.668 0.000 0.000) 9.668 2.061 ( 5.517 0.000 0.000) 5.517 2.687 ( -1.186 0.000 0.000) 1.186 2.760 ( 13.127 0.000 0.000) 13.127 2.800 ( 4.983 0.000 0.000) 4.983 2.983 ( -1.328 0.000 0.000) 1.328 3.047 ( -0.103 0.000 0.000) 0.103 3.197 ( 2.781 0.000 0.000) 2.781 3.234 ( -7.824 0.000 0.000) 7.824 3.360 ( -4.845 0.000 0.000) 4.845 3.539 ( -5.125 0.000 0.000) 5.125 3.570 ( 16.162 0.000 0.000) 16.162 3.579 ( 7.667 0.000 0.000) 7.667 3.648 ( -5.714 0.000 0.000) 5.714 3.792 ( -2.866 0.000 0.000) 2.866 3.866 ( 8.807 0.000 0.000) 8.807 4.003 ( 24.142 0.000 0.000) 24.142 4.054 ( -0.694 0.000 0.000) 0.694 4.335 ( -8.124 0.000 0.000) 8.124 4.345 ( -2.530 0.000 0.000) 2.530 4.510 ( 16.715 0.000 0.000) 16.715 4.553 ( 1.385 0.000 0.000) 1.385 4.640 ( 8.784 0.000 0.000) 8.784 4.833 ( 10.040 0.000 0.000) 10.040 4.907 ( 11.024 0.000 0.000) 11.024 4.965 ( 5.279 0.000 0.000) 5.279 5.034 ( -7.657 0.000 0.000) 7.657 5.150 ( 5.526 0.000 0.000) 5.526 5.198 ( -6.511 0.000 0.000) 6.511 5.321 ( 23.457 0.000 0.000) 23.457 5.666 ( 3.419 0.000 0.000) 3.419 5.787 ( -0.123 0.000 0.000) 0.123 5.886 ( -9.534 0.000 0.000) 9.534 6.016 ( -8.785 0.000 0.000) 8.785 6.281 ( 6.361 0.000 0.000) 6.361 6.363 ( -14.710 0.000 0.000) 14.710 6.511 ( -6.639 0.000 0.000) 6.639 6.537 ( 4.088 0.000 0.000) 4.088 6.628 ( -12.651 0.000 0.000) 12.651 6.635 ( -11.667 0.000 0.000) 11.667 6.779 ( 6.888 0.000 0.000) 6.888 6.934 ( -12.719 0.000 0.000) 12.719 7.112 ( 4.194 0.000 0.000) 4.194 7.129 ( -4.003 0.000 0.000) 4.003 7.553 ( -6.212 0.000 0.000) 6.212 7.811 ( 15.117 0.000 0.000) 15.117 7.970 ( 17.064 0.000 0.000) 17.064 8.150 ( 10.112 0.000 0.000) 10.112 8.422 ( 18.341 0.000 0.000) 18.341 8.779 ( 18.110 0.000 0.000) 18.110 8.849 ( -8.107 0.000 0.000) 8.107 8.903 ( -14.801 0.000 0.000) 14.801 9.284 ( -23.553 0.000 0.000) 23.553 9.304 ( 3.143 0.000 0.000) 3.143 9.458 ( 27.206 0.000 0.000) 27.206 9.572 ( -15.392 0.000 0.000) 15.392 9.620 ( -8.693 0.000 0.000) 8.693 10.225 ( -0.516 0.000 0.000) 0.516 10.390 ( 2.923 0.000 0.000) 2.923 10.396 ( 3.731 0.000 0.000) 3.731 10.972 ( -8.261 0.000 0.000) 8.261 11.101 ( 12.483 0.000 0.000) 12.483 11.628 ( 11.310 0.000 0.000) 11.310 11.734 ( -6.314 0.000 0.000) 6.314 12.107 ( -4.764 0.000 0.000) 4.764 14.921 ( 12.876 0.000 0.000) 12.876 15.056 ( 15.460 0.000 0.000) 15.460 16.044 ( -13.948 0.000 0.000) 13.948 16.103 ( -26.686 0.000 0.000) 26.686 16.257 ( 0.119 0.000 0.000) 0.119 16.300 ( -4.119 0.000 0.000) 4.119 16.508 ( 3.759 0.000 0.000) 3.759 16.777 ( 26.357 0.000 0.000) 26.357 16.789 ( 26.984 0.000 0.000) 26.984 17.105 ( -13.236 0.000 0.000) 13.236 18.134 ( -16.410 0.000 0.000) 16.410 18.207 ( -17.922 0.000 0.000) 17.922 21.125 ( 18.034 0.000 0.000) 18.034 21.437 ( 6.057 0.000 0.000) 6.057 21.679 ( -4.303 0.000 0.000) 4.303 21.715 ( -3.032 0.000 0.000) 3.032 ======================= Grid point 4 (5/45) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -7.167 0.000 0.000) 7.167 1.716 ( -8.888 0.000 0.000) 8.888 1.949 ( 10.194 0.000 0.000) 10.194 2.065 ( -3.080 0.000 0.000) 3.080 2.287 ( 18.330 0.000 0.000) 18.330 2.571 ( -10.878 0.000 0.000) 10.878 2.780 ( -0.646 0.000 0.000) 0.646 2.816 ( -3.044 0.000 0.000) 3.044 3.096 ( 7.709 0.000 0.000) 7.709 3.158 ( 5.266 0.000 0.000) 5.266 3.164 ( 0.953 0.000 0.000) 0.953 3.250 ( -6.247 0.000 0.000) 6.247 3.330 ( 10.540 0.000 0.000) 10.540 3.410 ( -2.792 0.000 0.000) 2.792 3.511 ( -8.378 0.000 0.000) 8.378 3.548 ( -10.281 0.000 0.000) 10.281 3.841 ( 11.835 0.000 0.000) 11.835 3.878 ( 11.425 0.000 0.000) 11.425 4.013 ( -5.150 0.000 0.000) 5.150 4.121 ( -12.651 0.000 0.000) 12.651 4.149 ( 19.508 0.000 0.000) 19.508 4.331 ( 2.182 0.000 0.000) 2.182 4.427 ( -6.971 0.000 0.000) 6.971 4.522 ( -15.857 0.000 0.000) 15.857 4.540 ( 26.621 0.000 0.000) 26.621 4.932 ( -10.726 0.000 0.000) 10.726 4.936 ( 11.911 0.000 0.000) 11.911 4.999 ( 6.199 0.000 0.000) 6.199 5.067 ( 4.116 0.000 0.000) 4.116 5.068 ( 4.399 0.000 0.000) 4.399 5.068 ( 0.072 0.000 0.000) 0.072 5.170 ( -4.077 0.000 0.000) 4.077 5.721 ( 3.140 0.000 0.000) 3.140 5.744 ( 13.951 0.000 0.000) 13.951 5.784 ( -3.126 0.000 0.000) 3.126 5.881 ( 15.579 0.000 0.000) 15.579 5.908 ( -5.362 0.000 0.000) 5.362 6.148 ( -4.735 0.000 0.000) 4.735 6.323 ( -17.330 0.000 0.000) 17.330 6.324 ( -10.924 0.000 0.000) 10.924 6.429 ( 7.840 0.000 0.000) 7.840 6.476 ( -3.427 0.000 0.000) 3.427 6.536 ( -1.782 0.000 0.000) 1.782 6.681 ( -12.818 0.000 0.000) 12.818 6.924 ( 7.661 0.000 0.000) 7.661 7.050 ( -5.125 0.000 0.000) 5.125 7.227 ( 8.438 0.000 0.000) 8.438 7.404 ( -9.049 0.000 0.000) 9.049 8.130 ( 17.966 0.000 0.000) 17.966 8.366 ( 22.979 0.000 0.000) 22.979 8.372 ( 13.192 0.000 0.000) 13.192 8.491 ( -19.607 0.000 0.000) 19.607 8.652 ( -15.356 0.000 0.000) 15.356 8.799 ( 20.284 0.000 0.000) 20.284 8.823 ( -24.285 0.000 0.000) 24.285 9.070 ( 6.358 0.000 0.000) 6.358 9.262 ( -10.400 0.000 0.000) 10.400 9.415 ( -12.336 0.000 0.000) 12.336 9.505 ( 12.834 0.000 0.000) 12.834 9.689 ( -3.282 0.000 0.000) 3.282 10.393 ( 17.842 0.000 0.000) 17.842 10.443 ( 1.927 0.000 0.000) 1.927 10.449 ( 1.422 0.000 0.000) 1.422 10.740 ( -15.863 0.000 0.000) 15.863 11.348 ( 12.779 0.000 0.000) 12.779 11.573 ( -10.309 0.000 0.000) 10.309 11.829 ( 9.611 0.000 0.000) 9.611 11.992 ( -7.279 0.000 0.000) 7.279 15.213 ( 17.699 0.000 0.000) 17.699 15.376 ( 17.639 0.000 0.000) 17.639 15.606 ( -23.433 0.000 0.000) 23.433 15.722 ( -18.113 0.000 0.000) 18.113 16.259 ( 0.195 0.000 0.000) 0.195 16.266 ( -0.643 0.000 0.000) 0.643 16.654 ( 9.701 0.000 0.000) 9.701 16.862 ( -11.870 0.000 0.000) 11.870 17.288 ( 26.264 0.000 0.000) 26.264 17.315 ( 27.133 0.000 0.000) 27.133 17.760 ( -22.419 0.000 0.000) 22.419 17.806 ( -23.639 0.000 0.000) 23.639 21.403 ( 11.322 0.000 0.000) 11.322 21.550 ( 5.491 0.000 0.000) 5.491 21.574 ( -6.893 0.000 0.000) 6.893 21.644 ( -4.317 0.000 0.000) 4.317 ======================= Grid point 10 (6/45) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 16.063 16.063 0.000) 22.716 0.846 ( 22.182 22.182 0.000) 31.370 1.548 ( 36.826 36.826 0.000) 52.080 2.094 ( 5.269 5.269 0.000) 7.452 2.197 ( 14.310 14.310 0.000) 20.237 2.300 ( 17.468 17.468 0.000) 24.704 2.310 ( 12.825 12.825 0.000) 18.137 2.760 ( -9.755 -9.755 0.000) 13.796 2.819 ( 6.073 6.073 0.000) 8.589 3.122 ( 0.153 0.153 0.000) 0.216 3.134 ( 0.879 0.879 0.000) 1.243 3.230 ( 0.496 0.496 0.000) 0.701 3.402 ( -3.868 -3.868 0.000) 5.471 3.489 ( -3.434 -3.434 0.000) 4.857 3.618 ( -3.595 -3.595 0.000) 5.084 3.629 ( -8.669 -8.669 0.000) 12.260 3.679 ( -4.607 -4.607 0.000) 6.515 3.767 ( 0.996 0.996 0.000) 1.409 3.808 ( -4.656 -4.656 0.000) 6.585 3.983 ( 6.030 6.030 0.000) 8.528 4.006 ( 4.048 4.048 0.000) 5.725 4.083 ( -5.345 -5.345 0.000) 7.559 4.243 ( -2.832 -2.832 0.000) 4.006 4.278 ( -5.524 -5.524 0.000) 7.812 4.457 ( 5.677 5.677 0.000) 8.029 4.463 ( -1.556 -1.556 0.000) 2.200 4.729 ( 11.327 11.327 0.000) 16.019 4.844 ( 2.738 2.738 0.000) 3.873 4.848 ( 0.309 0.309 0.000) 0.437 4.946 ( -1.242 -1.242 0.000) 1.756 4.967 ( 1.015 1.015 0.000) 1.435 5.033 ( 0.840 0.840 0.000) 1.188 5.306 ( -0.872 -0.872 0.000) 1.233 5.490 ( 17.192 17.192 0.000) 24.312 5.914 ( -3.537 -3.537 0.000) 5.002 6.247 ( 4.880 4.880 0.000) 6.901 6.266 ( -1.613 -1.613 0.000) 2.281 6.292 ( -11.570 -11.570 0.000) 16.363 6.371 ( -9.534 -9.534 0.000) 13.483 6.497 ( 7.197 7.197 0.000) 10.178 6.561 ( -5.642 -5.642 0.000) 7.979 6.636 ( 5.724 5.724 0.000) 8.094 6.865 ( 11.934 11.934 0.000) 16.877 6.973 ( -5.115 -5.115 0.000) 7.233 7.224 ( -1.541 -1.541 0.000) 2.179 7.267 ( -12.083 -12.083 0.000) 17.088 7.297 ( 1.067 1.067 0.000) 1.509 7.316 ( 1.187 1.187 0.000) 1.679 7.794 ( 1.832 1.832 0.000) 2.591 7.804 ( 0.271 0.271 0.000) 0.383 7.846 ( 1.185 1.185 0.000) 1.676 7.908 ( 7.200 7.200 0.000) 10.183 8.153 ( 2.045 2.045 0.000) 2.892 8.417 ( 25.652 25.652 0.000) 36.277 8.503 ( 15.404 15.404 0.000) 21.784 9.470 ( -9.584 -9.584 0.000) 13.554 9.518 ( -9.070 -9.070 0.000) 12.827 9.760 ( -1.588 -1.588 0.000) 2.246 9.839 ( -0.794 -0.794 0.000) 1.123 9.939 ( -11.281 -11.281 0.000) 15.954 10.269 ( -1.826 -1.826 0.000) 2.583 10.317 ( 4.601 4.601 0.000) 6.507 10.395 ( -4.765 -4.765 0.000) 6.738 10.820 ( 3.024 3.024 0.000) 4.277 11.175 ( 4.866 4.866 0.000) 6.882 11.190 ( 6.295 6.295 0.000) 8.902 11.838 ( -0.501 -0.501 0.000) 0.709 12.195 ( -1.333 -1.333 0.000) 1.885 14.615 ( 2.916 2.916 0.000) 4.124 14.679 ( 5.838 5.838 0.000) 8.257 16.040 ( 10.018 10.018 0.000) 14.167 16.154 ( 15.679 15.679 0.000) 22.174 16.222 ( 0.942 0.942 0.000) 1.333 16.230 ( 0.445 0.445 0.000) 0.630 16.260 ( 0.152 0.152 0.000) 0.215 16.612 ( -7.995 -7.995 0.000) 11.307 17.343 ( -31.442 -31.442 0.000) 44.465 17.491 ( -7.516 -7.516 0.000) 10.630 17.985 ( 0.073 0.073 0.000) 0.104 19.487 ( 16.819 16.819 0.000) 23.786 19.897 ( -0.127 -0.127 0.000) 0.180 21.302 ( 4.274 4.274 0.000) 6.044 21.757 ( -2.264 -2.264 0.000) 3.202 21.786 ( -0.671 -0.671 0.000) 0.949 ======================= Grid point 11 (7/45) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 28.638 -6.127 0.000) 29.286 1.318 ( 25.286 15.194 0.000) 29.500 2.142 ( 17.048 23.065 0.000) 28.682 2.215 ( 7.266 7.061 0.000) 10.131 2.265 ( -14.368 -0.073 0.000) 14.368 2.531 ( 10.674 0.751 0.000) 10.701 2.531 ( 10.808 3.845 0.000) 11.472 2.742 ( 7.411 7.721 0.000) 10.702 2.967 ( 5.861 -3.714 0.000) 6.939 3.081 ( -5.639 -0.308 0.000) 5.648 3.173 ( 0.852 -1.023 0.000) 1.331 3.309 ( 10.190 2.363 0.000) 10.461 3.368 ( -0.622 -2.047 0.000) 2.139 3.408 ( -12.301 -3.803 0.000) 12.875 3.462 ( 3.550 -0.213 0.000) 3.557 3.538 ( -1.653 -2.153 0.000) 2.714 3.617 ( 0.770 -4.870 0.000) 4.930 3.705 ( -5.122 -4.256 0.000) 6.659 3.775 ( -1.204 -3.966 0.000) 4.145 3.972 ( -6.065 -2.114 0.000) 6.423 4.105 ( -6.038 1.748 0.000) 6.286 4.189 ( 15.666 5.455 0.000) 16.588 4.249 ( 19.653 8.460 0.000) 21.397 4.260 ( 0.710 -7.888 0.000) 7.919 4.492 ( -2.334 -0.407 0.000) 2.369 4.544 ( 9.042 -7.017 0.000) 11.445 4.820 ( -8.162 4.213 0.000) 9.185 4.857 ( 3.060 5.904 0.000) 6.650 4.910 ( 4.017 3.359 0.000) 5.236 5.024 ( 17.413 11.398 0.000) 20.812 5.031 ( 3.012 -2.221 0.000) 3.742 5.108 ( 4.772 3.829 0.000) 6.118 5.272 ( -2.466 -1.098 0.000) 2.700 5.720 ( 5.661 11.786 0.000) 13.075 5.864 ( -0.981 3.322 0.000) 3.464 5.991 ( -15.410 -14.123 0.000) 20.903 6.188 ( -10.637 -3.639 0.000) 11.243 6.253 ( 3.114 6.858 0.000) 7.532 6.403 ( 7.944 0.858 0.000) 7.990 6.416 ( -10.113 -14.362 0.000) 17.565 6.642 ( 7.530 9.249 0.000) 11.926 6.753 ( 4.957 7.985 0.000) 9.398 6.797 ( -17.092 -8.145 0.000) 18.934 7.014 ( -7.266 9.911 0.000) 12.289 7.097 ( 10.390 10.798 0.000) 14.985 7.191 ( -3.318 2.104 0.000) 3.929 7.283 ( -3.260 7.114 0.000) 7.826 7.443 ( 11.217 -6.874 0.000) 13.156 7.734 ( -5.458 9.091 0.000) 10.603 7.829 ( 3.533 3.832 0.000) 5.212 7.871 ( 6.156 -5.244 0.000) 8.087 8.218 ( 7.520 3.186 0.000) 8.167 8.258 ( 19.475 -11.216 0.000) 22.474 8.794 ( 14.263 8.967 0.000) 16.848 9.025 ( 34.059 20.184 0.000) 39.590 9.195 ( -17.934 -7.417 0.000) 19.407 9.320 ( -11.056 -10.802 0.000) 15.457 9.638 ( -19.040 -7.883 0.000) 20.608 9.696 ( -5.151 -4.392 0.000) 6.769 9.748 ( -9.420 -5.553 0.000) 10.935 10.210 ( -4.169 -4.403 0.000) 6.064 10.369 ( 2.418 1.697 0.000) 2.954 10.426 ( 6.090 8.243 0.000) 10.249 10.924 ( 8.022 3.045 0.000) 8.581 11.170 ( -2.437 9.360 0.000) 9.672 11.408 ( 11.986 0.518 0.000) 11.998 11.813 ( -2.457 -0.485 0.000) 2.504 12.160 ( -2.425 -1.531 0.000) 2.868 14.712 ( 7.171 0.424 0.000) 7.183 14.834 ( 10.340 3.699 0.000) 10.982 16.179 ( -6.248 -2.354 0.000) 6.676 16.253 ( 1.407 0.712 0.000) 1.577 16.270 ( 1.173 -2.302 0.000) 2.584 16.344 ( 18.657 8.129 0.000) 20.351 16.430 ( -8.521 -3.817 0.000) 9.337 16.549 ( 24.748 18.758 0.000) 31.053 16.700 ( -30.275 -14.867 0.000) 33.728 17.301 ( -11.654 -5.741 0.000) 12.992 18.030 ( -0.520 -8.259 0.000) 8.276 19.172 ( -24.119 40.009 0.000) 46.717 20.418 ( 29.914 -24.881 0.000) 38.909 21.390 ( 4.911 4.207 0.000) 6.467 21.697 ( -4.060 -4.163 0.000) 5.815 21.762 ( -1.761 -0.746 0.000) 1.913 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 20.761 -10.010 0.000) 23.048 1.764 ( 19.849 11.860 0.000) 23.122 1.929 ( -16.759 -2.169 0.000) 16.899 2.055 ( -11.308 3.030 0.000) 11.707 2.395 ( 3.279 22.813 0.000) 23.048 2.658 ( 1.041 -2.372 0.000) 2.591 2.780 ( 12.068 0.925 0.000) 12.103 2.858 ( 5.315 -1.926 0.000) 5.653 2.948 ( -6.281 3.054 0.000) 6.984 3.000 ( 0.808 -4.830 0.000) 4.897 3.173 ( 1.932 -3.022 0.000) 3.587 3.205 ( -8.021 -2.906 0.000) 8.531 3.276 ( -6.642 -6.103 0.000) 9.020 3.515 ( -4.974 -1.946 0.000) 5.341 3.536 ( 6.009 -4.966 0.000) 7.796 3.597 ( 5.610 0.990 0.000) 5.697 3.633 ( 1.798 -1.128 0.000) 2.122 3.714 ( -2.300 -7.639 0.000) 7.978 3.825 ( 10.623 -3.536 0.000) 11.196 3.975 ( 11.983 -3.854 0.000) 12.588 4.087 ( 8.372 4.930 0.000) 9.716 4.287 ( 1.474 -4.770 0.000) 4.992 4.322 ( -8.388 -1.706 0.000) 8.560 4.475 ( 1.525 0.261 0.000) 1.547 4.696 ( 17.434 11.565 0.000) 20.921 4.731 ( 6.234 8.917 0.000) 10.880 4.763 ( 12.953 -7.931 0.000) 15.188 4.949 ( 6.650 0.128 0.000) 6.651 4.985 ( -6.488 -3.287 0.000) 7.273 4.998 ( 5.584 6.223 0.000) 8.361 5.179 ( -0.354 1.349 0.000) 1.395 5.247 ( 1.627 6.250 0.000) 6.458 5.394 ( 19.092 9.532 0.000) 21.339 5.745 ( -1.010 4.685 0.000) 4.793 5.792 ( -4.718 -8.549 0.000) 9.765 5.874 ( 2.143 8.044 0.000) 8.325 6.002 ( -6.679 -3.288 0.000) 7.445 6.171 ( -14.685 -18.019 0.000) 23.245 6.325 ( 1.450 6.644 0.000) 6.801 6.400 ( -21.276 -6.898 0.000) 22.366 6.527 ( 4.614 5.508 0.000) 7.185 6.756 ( 3.795 16.051 0.000) 16.494 6.842 ( 5.678 7.307 0.000) 9.254 6.920 ( -5.345 14.733 0.000) 15.672 7.091 ( -7.651 11.417 0.000) 13.744 7.195 ( -4.861 7.761 0.000) 9.157 7.221 ( 3.657 10.540 0.000) 11.156 7.624 ( -6.492 6.752 0.000) 9.366 7.720 ( 16.858 -7.198 0.000) 18.330 7.995 ( 14.538 1.113 0.000) 14.580 8.031 ( 10.197 -8.909 0.000) 13.541 8.444 ( 15.294 -0.217 0.000) 15.296 8.576 ( 10.439 -13.626 0.000) 17.165 8.822 ( -19.947 -6.941 0.000) 21.120 8.953 ( -0.619 1.531 0.000) 1.652 9.195 ( -7.868 -7.025 0.000) 10.548 9.270 ( -7.015 -4.090 0.000) 8.121 9.496 ( -15.995 -7.659 0.000) 17.734 9.539 ( -3.644 -3.018 0.000) 4.731 9.632 ( 16.695 11.206 0.000) 20.107 10.151 ( 1.737 -4.416 0.000) 4.745 10.453 ( 5.211 6.634 0.000) 8.436 10.531 ( 4.508 10.885 0.000) 11.781 11.068 ( -8.541 8.944 0.000) 12.367 11.120 ( 11.877 1.935 0.000) 12.034 11.627 ( 10.185 -0.164 0.000) 10.186 11.736 ( -5.206 0.119 0.000) 5.208 12.096 ( -4.421 -1.144 0.000) 4.567 14.889 ( 11.328 -2.271 0.000) 11.553 15.072 ( 14.256 1.056 0.000) 14.295 15.906 ( -20.767 -11.614 0.000) 23.794 16.095 ( -20.606 -3.437 0.000) 20.891 16.261 ( 0.220 0.413 0.000) 0.468 16.289 ( -2.083 -0.791 0.000) 2.228 16.493 ( 5.064 -1.175 0.000) 5.198 16.773 ( 24.198 6.809 0.000) 25.138 17.065 ( -4.416 0.905 0.000) 4.508 17.076 ( 21.517 16.727 0.000) 27.254 17.927 ( -10.218 -3.889 0.000) 10.933 18.704 ( -25.086 32.085 0.000) 40.728 20.903 ( 20.854 -19.468 0.000) 28.529 21.487 ( 5.124 2.424 0.000) 5.668 21.599 ( -6.239 -6.874 0.000) 9.284 21.719 ( -2.691 -0.860 0.000) 2.825 ======================= Grid point 13 (9/45) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -5.715 0.218 0.000) 5.720 1.722 ( -6.431 0.474 0.000) 6.448 2.026 ( 6.348 -1.254 0.000) 6.471 2.033 ( 6.795 7.941 0.000) 10.452 2.456 ( 5.505 14.267 0.000) 15.293 2.587 ( -6.401 2.074 0.000) 6.729 2.842 ( -1.644 1.971 0.000) 2.567 2.850 ( -3.301 6.226 0.000) 7.047 2.995 ( 8.107 -10.404 0.000) 13.190 3.118 ( 3.470 -5.085 0.000) 6.156 3.126 ( 0.551 -2.729 0.000) 2.784 3.149 ( -4.047 -8.693 0.000) 9.589 3.291 ( 9.190 -4.630 0.000) 10.290 3.377 ( -4.908 -2.020 0.000) 5.308 3.451 ( -7.531 -5.684 0.000) 9.436 3.493 ( -10.336 -6.208 0.000) 12.057 3.817 ( 10.128 -2.790 0.000) 10.505 3.867 ( 12.458 -1.064 0.000) 12.504 3.943 ( -0.419 -6.321 0.000) 6.335 4.114 ( -12.301 -1.353 0.000) 12.375 4.129 ( 9.775 -1.187 0.000) 9.847 4.333 ( -10.564 -5.056 0.000) 11.711 4.352 ( 7.876 0.036 0.000) 7.876 4.529 ( 25.736 0.477 0.000) 25.740 4.599 ( -15.175 2.585 0.000) 15.394 4.905 ( -9.528 0.427 0.000) 9.538 5.001 ( 9.762 -5.264 0.000) 11.091 5.006 ( 7.230 6.858 0.000) 9.966 5.085 ( 6.241 5.649 0.000) 8.418 5.120 ( 6.675 2.591 0.000) 7.160 5.155 ( 1.408 7.549 0.000) 7.679 5.241 ( -5.213 5.337 0.000) 7.460 5.672 ( 8.892 -4.996 0.000) 10.199 5.748 ( 3.153 3.831 0.000) 4.962 5.766 ( -0.833 -6.212 0.000) 6.267 5.903 ( -11.858 -9.012 0.000) 14.894 5.956 ( 5.613 8.134 0.000) 9.883 6.008 ( 7.192 -0.508 0.000) 7.210 6.070 ( -10.368 -6.841 0.000) 12.422 6.219 ( -11.453 0.294 0.000) 11.456 6.638 ( 7.573 15.107 0.000) 16.899 6.787 ( -7.783 18.823 0.000) 20.368 6.798 ( 1.802 19.427 0.000) 19.510 6.911 ( -9.625 17.064 0.000) 19.592 6.968 ( 7.304 5.549 0.000) 9.173 7.099 ( -5.812 5.918 0.000) 8.295 7.322 ( 7.563 9.125 0.000) 11.852 7.481 ( -8.275 7.252 0.000) 11.003 8.063 ( 18.551 -6.154 0.000) 19.546 8.254 ( 13.184 -10.408 0.000) 16.797 8.355 ( 21.614 -1.773 0.000) 21.686 8.425 ( -19.059 -6.265 0.000) 20.062 8.523 ( -13.682 -11.765 0.000) 18.045 8.776 ( 18.580 -3.155 0.000) 18.846 8.789 ( -23.108 -3.737 0.000) 23.408 9.054 ( 5.550 -3.371 0.000) 6.494 9.177 ( -11.433 -8.223 0.000) 14.083 9.343 ( -12.267 -7.057 0.000) 14.153 9.476 ( 13.604 -2.198 0.000) 13.780 9.703 ( -8.414 0.181 0.000) 8.416 10.414 ( 18.686 6.210 0.000) 19.691 10.533 ( 2.213 8.641 0.000) 8.919 10.600 ( 3.943 11.458 0.000) 12.118 10.836 ( -15.436 9.231 0.000) 17.986 11.357 ( 12.277 0.812 0.000) 12.304 11.572 ( -9.805 -0.110 0.000) 9.806 11.833 ( 9.139 0.161 0.000) 9.141 11.988 ( -6.893 -0.527 0.000) 6.914 15.147 ( 15.722 -5.382 0.000) 16.618 15.374 ( 17.024 -1.018 0.000) 17.055 15.494 ( -20.383 -9.134 0.000) 22.336 15.718 ( -18.758 -2.273 0.000) 18.895 16.265 ( 0.270 0.617 0.000) 0.674 16.272 ( -0.453 0.639 0.000) 0.784 16.639 ( 9.254 -1.522 0.000) 9.378 16.836 ( -11.146 -2.622 0.000) 11.450 17.243 ( 23.433 4.572 0.000) 23.875 17.646 ( 29.779 23.905 0.000) 38.187 17.649 ( -18.350 0.874 0.000) 18.371 18.199 ( -27.676 27.078 0.000) 38.720 21.232 ( 13.957 -14.679 0.000) 20.255 21.452 ( -9.309 -10.405 0.000) 13.961 21.581 ( 4.523 0.582 0.000) 4.560 21.659 ( -3.602 -0.534 0.000) 3.641 ======================= Grid point 20 (10/45) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 13.384 13.384 0.000) 18.927 1.680 ( 20.921 20.921 0.000) 29.587 2.140 ( -13.306 -13.306 0.000) 18.817 2.221 ( -0.347 -0.347 0.000) 0.490 2.502 ( 2.239 2.239 0.000) 3.166 2.611 ( 10.074 10.074 0.000) 14.247 2.690 ( 12.242 12.242 0.000) 17.313 2.826 ( 0.446 0.446 0.000) 0.631 2.900 ( -2.603 -2.603 0.000) 3.681 3.050 ( -4.288 -4.288 0.000) 6.064 3.230 ( 3.748 3.748 0.000) 5.301 3.286 ( -8.054 -8.054 0.000) 11.390 3.304 ( -0.535 -0.535 0.000) 0.757 3.398 ( 2.763 2.763 0.000) 3.907 3.433 ( -5.622 -5.622 0.000) 7.951 3.491 ( 5.565 5.565 0.000) 7.870 3.576 ( 1.242 1.242 0.000) 1.756 3.611 ( -4.024 -4.024 0.000) 5.691 3.671 ( -6.862 -6.862 0.000) 9.704 3.914 ( -3.575 -3.575 0.000) 5.056 4.113 ( -1.762 -1.762 0.000) 2.492 4.207 ( 3.272 3.272 0.000) 4.627 4.369 ( 3.657 3.657 0.000) 5.172 4.450 ( -0.198 -0.198 0.000) 0.280 4.453 ( 3.608 3.608 0.000) 5.103 4.589 ( 24.234 24.234 0.000) 34.272 4.841 ( -1.176 -1.176 0.000) 1.663 4.899 ( 0.832 0.832 0.000) 1.177 5.012 ( 6.477 6.477 0.000) 9.159 5.018 ( 2.521 2.521 0.000) 3.565 5.164 ( -3.244 -3.244 0.000) 4.588 5.291 ( 6.196 6.196 0.000) 8.762 5.339 ( 18.214 18.214 0.000) 25.759 5.745 ( -10.201 -10.201 0.000) 14.427 5.815 ( -1.142 -1.142 0.000) 1.615 5.953 ( 6.197 6.197 0.000) 8.764 6.073 ( -8.310 -8.310 0.000) 11.752 6.088 ( -18.789 -18.789 0.000) 26.571 6.449 ( 10.210 10.210 0.000) 14.439 6.478 ( 6.987 6.987 0.000) 9.881 6.580 ( -13.321 -13.321 0.000) 18.838 6.863 ( 13.297 13.297 0.000) 18.805 6.942 ( 9.690 9.690 0.000) 13.703 7.151 ( 3.734 3.734 0.000) 5.281 7.241 ( 3.281 3.281 0.000) 4.640 7.330 ( 11.536 11.536 0.000) 16.315 7.382 ( 2.194 2.194 0.000) 3.103 7.406 ( 3.685 3.685 0.000) 5.212 7.821 ( 0.550 0.550 0.000) 0.778 7.898 ( 1.158 1.158 0.000) 1.638 7.904 ( 3.784 3.784 0.000) 5.352 8.121 ( 3.097 3.097 0.000) 4.380 8.247 ( 2.592 2.592 0.000) 3.665 8.953 ( 5.754 5.754 0.000) 8.137 8.988 ( -14.511 -14.511 0.000) 20.521 9.082 ( -10.342 -10.342 0.000) 14.626 9.412 ( -15.272 -15.272 0.000) 21.597 9.515 ( 27.709 27.709 0.000) 39.187 9.569 ( -11.984 -11.984 0.000) 16.948 9.577 ( -7.902 -7.902 0.000) 11.176 10.109 ( -5.388 -5.388 0.000) 7.620 10.467 ( 7.731 7.731 0.000) 10.934 10.605 ( 9.488 9.488 0.000) 13.418 11.014 ( 6.448 6.448 0.000) 9.118 11.333 ( 2.983 2.983 0.000) 4.219 11.439 ( 6.045 6.045 0.000) 8.549 11.790 ( -2.147 -2.147 0.000) 3.037 12.123 ( -2.362 -2.362 0.000) 3.340 14.753 ( 4.039 4.039 0.000) 5.712 14.931 ( 6.640 6.640 0.000) 9.391 15.996 ( -16.012 -16.012 0.000) 22.644 16.263 ( 0.446 0.446 0.000) 0.631 16.270 ( 1.502 1.502 0.000) 2.124 16.296 ( -16.026 -16.026 0.000) 22.664 16.439 ( -3.153 -3.153 0.000) 4.460 16.611 ( 18.516 18.516 0.000) 26.186 16.999 ( 27.378 27.378 0.000) 38.719 17.153 ( -9.135 -9.135 0.000) 12.918 17.992 ( 0.297 0.297 0.000) 0.420 19.883 ( 5.092 5.092 0.000) 7.201 19.898 ( 0.223 0.223 0.000) 0.315 21.454 ( 2.678 2.678 0.000) 3.788 21.590 ( -6.984 -6.984 0.000) 9.877 21.732 ( -2.304 -2.304 0.000) 3.258 ======================= Grid point 21 (11/45) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 17.691 1.029 0.000) 17.721 1.862 ( -12.723 -4.337 0.000) 13.442 2.061 ( 16.404 17.207 0.000) 23.773 2.115 ( -9.313 2.082 0.000) 9.543 2.585 ( 5.676 -5.012 0.000) 7.572 2.738 ( 4.747 -2.296 0.000) 5.273 2.763 ( -5.983 -3.010 0.000) 6.698 2.809 ( 1.118 14.110 0.000) 14.154 2.888 ( 2.323 -4.766 0.000) 5.302 3.012 ( 1.740 -5.409 0.000) 5.682 3.120 ( -7.715 -4.800 0.000) 9.086 3.145 ( -6.199 3.649 0.000) 7.193 3.216 ( -12.154 0.979 0.000) 12.194 3.392 ( 1.350 -7.946 0.000) 8.060 3.463 ( -5.296 -7.198 0.000) 8.936 3.529 ( -5.328 -4.571 0.000) 7.020 3.598 ( 4.472 -2.333 0.000) 5.044 3.639 ( 7.499 1.164 0.000) 7.589 3.764 ( 13.695 -1.999 0.000) 13.840 3.874 ( 3.415 -5.504 0.000) 6.477 4.163 ( 8.550 -2.756 0.000) 8.983 4.237 ( -9.560 -7.034 0.000) 11.869 4.279 ( 4.673 9.319 0.000) 10.425 4.471 ( -8.641 -2.912 0.000) 9.118 4.578 ( 11.886 -9.305 0.000) 15.095 4.874 ( -7.743 3.027 0.000) 8.313 4.927 ( 3.210 -1.869 0.000) 3.714 4.968 ( 9.365 11.159 0.000) 14.568 5.047 ( 7.577 9.581 0.000) 12.215 5.148 ( 7.427 8.809 0.000) 11.522 5.256 ( 14.086 12.995 0.000) 19.164 5.394 ( 4.402 7.124 0.000) 8.375 5.560 ( -12.174 -14.961 0.000) 19.289 5.624 ( 7.412 9.513 0.000) 12.060 5.760 ( -10.079 -20.425 0.000) 22.776 5.784 ( 1.516 2.845 0.000) 3.223 5.960 ( -0.653 -0.499 0.000) 0.822 6.082 ( 7.045 12.280 0.000) 14.158 6.323 ( -12.439 -2.574 0.000) 12.703 6.531 ( -1.256 13.331 0.000) 13.390 6.679 ( 11.763 9.472 0.000) 15.103 7.061 ( 4.948 15.011 0.000) 15.806 7.095 ( 7.615 17.970 0.000) 19.517 7.179 ( -0.454 11.289 0.000) 11.298 7.272 ( -1.006 8.841 0.000) 8.898 7.408 ( -3.069 11.091 0.000) 11.508 7.455 ( 5.930 10.468 0.000) 12.031 7.599 ( 14.630 -3.186 0.000) 14.972 7.781 ( -8.230 8.866 0.000) 12.097 7.886 ( 5.965 -5.361 0.000) 8.020 8.007 ( 9.241 1.045 0.000) 9.300 8.300 ( 7.257 -14.731 0.000) 16.422 8.390 ( 12.131 -4.630 0.000) 12.984 8.656 ( -18.782 -9.564 0.000) 21.077 8.848 ( -5.613 -10.674 0.000) 12.060 9.055 ( -16.316 -9.232 0.000) 18.746 9.155 ( 0.803 -8.575 0.000) 8.612 9.340 ( -8.195 -5.493 0.000) 9.865 9.395 ( -10.884 -9.815 0.000) 14.656 9.829 ( -3.102 0.637 0.000) 3.167 10.199 ( 21.697 14.574 0.000) 26.137 10.625 ( 7.819 10.398 0.000) 13.010 10.759 ( 5.998 12.092 0.000) 13.498 11.172 ( 9.858 3.444 0.000) 10.442 11.266 ( -7.650 10.544 0.000) 13.027 11.616 ( 8.467 -0.933 0.000) 8.518 11.727 ( -3.466 -1.404 0.000) 3.740 12.064 ( -3.958 -2.186 0.000) 4.521 14.866 ( 7.770 0.330 0.000) 7.777 15.096 ( 10.609 1.894 0.000) 10.777 15.644 ( -18.907 -14.736 0.000) 23.971 15.955 ( -17.589 -10.450 0.000) 20.459 16.272 ( 0.548 0.807 0.000) 0.976 16.295 ( 0.493 1.461 0.000) 1.542 16.475 ( 4.866 -0.543 0.000) 4.896 16.944 ( -3.896 -2.429 0.000) 4.591 17.033 ( 15.978 12.715 0.000) 20.420 17.569 ( 31.341 29.272 0.000) 42.885 17.951 ( -5.595 4.067 0.000) 6.917 19.341 ( -28.932 33.078 0.000) 43.946 20.461 ( 25.797 -25.569 0.000) 36.322 21.428 ( -10.042 -10.932 0.000) 14.844 21.502 ( 2.552 -0.501 0.000) 2.601 21.678 ( -3.126 -3.173 0.000) 4.454 ======================= Grid point 22 (12/45) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -2.345 1.182 0.000) 2.626 1.734 ( -0.330 1.022 0.000) 1.074 2.040 ( 6.640 1.991 0.000) 6.932 2.198 ( -3.851 7.555 0.000) 8.480 2.680 ( 3.707 8.166 0.000) 8.968 2.736 ( -2.253 7.468 0.000) 7.800 2.754 ( 6.951 -12.352 0.000) 14.174 2.843 ( 1.855 1.941 0.000) 2.685 2.968 ( -5.853 3.646 0.000) 6.895 2.977 ( -7.168 -4.953 0.000) 8.713 3.017 ( 3.566 -5.394 0.000) 6.466 3.062 ( -0.189 -4.232 0.000) 4.236 3.141 ( 6.921 -10.382 0.000) 12.477 3.302 ( -9.090 -12.194 0.000) 15.209 3.342 ( -3.452 -3.174 0.000) 4.690 3.382 ( -8.049 2.484 0.000) 8.424 3.740 ( 7.512 -4.663 0.000) 8.841 3.820 ( -0.227 -5.618 0.000) 5.623 3.845 ( 11.529 -1.544 0.000) 11.632 4.053 ( -9.689 -4.522 0.000) 10.693 4.100 ( 8.908 -2.145 0.000) 9.163 4.261 ( -10.821 -3.354 0.000) 11.328 4.308 ( 10.307 -3.675 0.000) 10.942 4.559 ( 22.321 -0.209 0.000) 22.322 4.598 ( -16.816 -1.962 0.000) 16.930 4.832 ( 13.362 -9.586 0.000) 16.445 4.941 ( -11.415 2.102 0.000) 11.607 5.046 ( 8.778 -5.301 0.000) 10.254 5.099 ( -16.046 -8.887 0.000) 18.343 5.202 ( -4.588 -3.078 0.000) 5.525 5.275 ( 5.054 9.606 0.000) 10.854 5.324 ( -1.825 5.489 0.000) 5.785 5.571 ( 1.163 -5.141 0.000) 5.271 5.618 ( -3.203 -1.468 0.000) 3.523 5.879 ( 4.857 9.244 0.000) 10.443 5.892 ( 14.778 10.777 0.000) 18.290 6.012 ( 4.875 6.975 0.000) 8.510 6.184 ( 0.920 14.636 0.000) 14.665 6.197 ( 2.436 9.576 0.000) 9.881 6.373 ( -14.068 14.133 0.000) 19.941 6.921 ( 13.164 13.583 0.000) 18.915 7.131 ( -5.995 16.758 0.000) 17.798 7.147 ( 2.756 14.612 0.000) 14.870 7.187 ( 4.773 18.287 0.000) 18.900 7.192 ( -5.217 12.051 0.000) 13.132 7.312 ( -6.458 15.081 0.000) 16.406 7.540 ( 4.128 12.396 0.000) 13.065 7.639 ( -6.283 7.900 0.000) 10.094 7.927 ( 18.844 -7.585 0.000) 20.313 8.042 ( 10.174 -10.066 0.000) 14.312 8.251 ( -10.128 -14.804 0.000) 17.937 8.289 ( 18.724 -4.895 0.000) 19.353 8.293 ( -18.982 -7.336 0.000) 20.350 8.667 ( 15.704 -7.940 0.000) 17.597 8.675 ( -20.693 -8.152 0.000) 22.241 8.916 ( 8.645 -10.185 0.000) 13.359 8.975 ( -12.817 -12.272 0.000) 17.745 9.165 ( -12.867 -11.072 0.000) 16.975 9.438 ( 11.247 -1.999 0.000) 11.423 9.660 ( -11.212 -4.677 0.000) 12.148 10.638 ( 18.762 15.851 0.000) 24.562 10.741 ( 3.498 12.175 0.000) 12.668 10.839 ( 4.005 12.762 0.000) 13.375 11.056 ( -14.044 12.746 0.000) 18.966 11.376 ( 10.825 1.035 0.000) 10.874 11.567 ( -8.614 -0.547 0.000) 8.631 11.824 ( 8.438 -1.418 0.000) 8.556 11.967 ( -6.293 -1.827 0.000) 6.553 15.051 ( 11.491 -4.080 0.000) 12.194 15.310 ( -15.581 -9.325 0.000) 18.158 15.335 ( 14.093 -2.560 0.000) 14.324 15.629 ( -16.343 -6.431 0.000) 17.563 16.283 ( 0.598 1.309 0.000) 1.439 16.294 ( -0.406 1.703 0.000) 1.751 16.600 ( 7.873 -2.390 0.000) 8.228 16.768 ( -9.451 -4.324 0.000) 10.393 17.433 ( 20.096 13.781 0.000) 24.367 17.764 ( -13.869 9.280 0.000) 16.687 18.178 ( 31.751 30.583 0.000) 44.084 18.774 ( -30.316 31.765 0.000) 43.910 20.888 ( 19.016 -20.739 0.000) 28.137 21.200 ( -13.868 -15.625 0.000) 20.891 21.555 ( 2.989 -2.837 0.000) 4.121 21.616 ( -3.288 -3.607 0.000) 4.881 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 8.714 8.714 0.000) 12.323 1.773 ( -4.112 -4.112 0.000) 5.815 2.093 ( -4.152 -4.152 0.000) 5.871 2.348 ( 8.772 8.772 0.000) 12.405 2.524 ( -0.078 -0.078 0.000) 0.111 2.688 ( -0.557 -0.557 0.000) 0.788 2.762 ( 2.069 2.069 0.000) 2.927 2.800 ( -2.115 -2.115 0.000) 2.991 2.861 ( -5.304 -5.304 0.000) 7.501 2.949 ( -1.061 -1.061 0.000) 1.500 3.006 ( -5.354 -5.354 0.000) 7.572 3.142 ( -5.683 -5.683 0.000) 8.037 3.251 ( -11.117 -11.117 0.000) 15.722 3.311 ( 1.704 1.704 0.000) 2.409 3.362 ( 3.451 3.451 0.000) 4.880 3.507 ( 1.482 1.482 0.000) 2.096 3.575 ( 1.334 1.334 0.000) 1.886 3.650 ( 0.765 0.765 0.000) 1.083 3.791 ( -2.706 -2.706 0.000) 3.827 3.828 ( 8.866 8.866 0.000) 12.538 4.090 ( -7.385 -7.385 0.000) 10.445 4.122 ( 1.427 1.427 0.000) 2.018 4.350 ( -8.766 -8.766 0.000) 12.397 4.409 ( -1.889 -1.889 0.000) 2.672 4.542 ( 9.668 9.668 0.000) 13.672 4.856 ( -11.000 -11.000 0.000) 15.556 4.911 ( 1.224 1.224 0.000) 1.731 4.932 ( -4.565 -4.565 0.000) 6.456 5.190 ( -8.954 -8.954 0.000) 12.663 5.262 ( -17.325 -17.325 0.000) 24.501 5.316 ( 8.221 8.221 0.000) 11.627 5.355 ( 6.751 6.751 0.000) 9.547 5.538 ( 1.241 1.241 0.000) 1.755 5.647 ( -2.680 -2.680 0.000) 3.790 5.790 ( 28.583 28.583 0.000) 40.422 5.937 ( 8.260 8.260 0.000) 11.681 6.047 ( 7.193 7.193 0.000) 10.172 6.291 ( 0.774 0.774 0.000) 1.095 6.306 ( 10.410 10.410 0.000) 14.721 6.776 ( 8.241 8.241 0.000) 11.654 6.869 ( 11.919 11.919 0.000) 16.857 7.336 ( 10.226 10.226 0.000) 14.462 7.345 ( 6.436 6.436 0.000) 9.102 7.415 ( 4.414 4.414 0.000) 6.242 7.424 ( 13.471 13.471 0.000) 19.051 7.478 ( 2.864 2.864 0.000) 4.050 7.555 ( 4.162 4.162 0.000) 5.885 7.708 ( 7.747 7.747 0.000) 10.956 7.836 ( 0.156 0.156 0.000) 0.220 7.895 ( -1.773 -1.773 0.000) 2.507 8.052 ( -7.781 -7.781 0.000) 11.004 8.069 ( 4.569 4.569 0.000) 6.461 8.333 ( 1.746 1.746 0.000) 2.469 8.458 ( -11.858 -11.858 0.000) 16.769 8.665 ( -5.268 -5.268 0.000) 7.451 8.810 ( -15.654 -15.654 0.000) 22.138 8.946 ( -11.641 -11.641 0.000) 16.463 9.181 ( -12.265 -12.265 0.000) 17.346 9.317 ( 1.834 1.834 0.000) 2.594 9.718 ( -8.794 -8.794 0.000) 12.437 10.593 ( 22.275 22.275 0.000) 31.501 10.822 ( 9.535 9.535 0.000) 13.484 10.963 ( 8.331 8.331 0.000) 11.782 11.254 ( 5.462 5.462 0.000) 7.725 11.402 ( 0.852 0.852 0.000) 1.205 11.626 ( 3.567 3.567 0.000) 5.045 11.673 ( -3.929 -3.929 0.000) 5.556 12.007 ( -3.882 -3.882 0.000) 5.490 14.905 ( 3.615 3.615 0.000) 5.112 15.160 ( 5.070 5.070 0.000) 7.171 15.372 ( -13.050 -13.050 0.000) 18.455 15.729 ( -12.473 -12.473 0.000) 17.639 16.291 ( 1.151 1.151 0.000) 1.627 16.328 ( 1.411 1.411 0.000) 1.995 16.483 ( 1.831 1.831 0.000) 2.590 16.819 ( -7.456 -7.456 0.000) 10.544 17.376 ( 19.066 19.066 0.000) 26.963 18.007 ( 0.457 0.457 0.000) 0.646 18.165 ( 32.288 32.288 0.000) 45.662 19.915 ( 0.604 0.604 0.000) 0.855 19.970 ( 0.383 0.383 0.000) 0.541 21.182 ( -14.755 -14.755 0.000) 20.867 21.488 ( -0.575 -0.575 0.000) 0.813 21.607 ( -3.969 -3.969 0.000) 5.612 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.854 1.560 0.000) 1.779 1.765 ( 1.236 2.010 0.000) 2.360 2.071 ( 6.233 1.054 0.000) 6.322 2.284 ( -11.812 1.427 0.000) 11.898 2.573 ( 4.446 -5.456 0.000) 7.038 2.661 ( -3.609 -3.877 0.000) 5.297 2.817 ( 3.165 -9.420 0.000) 9.937 2.836 ( 4.839 -1.227 0.000) 4.992 2.857 ( -0.318 -10.570 0.000) 10.575 2.901 ( -2.570 -3.953 0.000) 4.715 3.013 ( 7.727 8.479 0.000) 11.471 3.039 ( -3.212 -2.819 0.000) 4.273 3.075 ( -6.760 -8.788 0.000) 11.087 3.190 ( -9.152 17.667 0.000) 19.896 3.393 ( 1.362 7.001 0.000) 7.132 3.479 ( -6.513 6.171 0.000) 8.972 3.663 ( 5.745 -2.683 0.000) 6.340 3.737 ( -1.124 -3.451 0.000) 3.629 3.776 ( 9.589 -6.012 0.000) 11.318 3.960 ( -7.321 -5.600 0.000) 9.217 4.061 ( 11.298 -0.611 0.000) 11.315 4.184 ( -6.729 -4.022 0.000) 7.839 4.237 ( 8.526 -4.175 0.000) 9.494 4.429 ( 9.190 -9.330 0.000) 13.096 4.520 ( -19.151 -6.693 0.000) 20.287 4.736 ( 9.645 -3.376 0.000) 10.219 4.738 ( -18.062 -21.168 0.000) 27.827 4.926 ( -10.912 -6.396 0.000) 12.648 4.987 ( 5.631 0.790 0.000) 5.686 5.084 ( -4.720 -4.146 0.000) 6.282 5.444 ( 4.660 7.565 0.000) 8.885 5.474 ( 2.192 7.379 0.000) 7.697 5.563 ( 1.496 1.443 0.000) 2.079 5.597 ( -2.173 -0.685 0.000) 2.278 6.043 ( 3.368 6.618 0.000) 7.426 6.090 ( -1.484 5.004 0.000) 5.219 6.331 ( 24.168 24.744 0.000) 34.588 6.406 ( 8.800 12.160 0.000) 15.010 6.446 ( 3.012 11.690 0.000) 12.072 6.725 ( -12.878 20.886 0.000) 24.537 7.148 ( 14.940 9.326 0.000) 17.611 7.386 ( -8.079 8.692 0.000) 11.867 7.424 ( 2.447 12.855 0.000) 13.086 7.433 ( 2.405 12.854 0.000) 13.077 7.517 ( 5.457 14.330 0.000) 15.334 7.590 ( -0.420 12.754 0.000) 12.761 7.737 ( -0.702 6.087 0.000) 6.127 7.738 ( -6.702 1.981 0.000) 6.989 7.786 ( 11.881 -4.618 0.000) 12.747 7.926 ( 9.982 -1.999 0.000) 10.180 7.967 ( -6.194 -13.558 0.000) 14.906 8.193 ( -15.217 -3.598 0.000) 15.636 8.203 ( 11.718 -2.346 0.000) 11.950 8.490 ( -16.827 -10.347 0.000) 19.753 8.491 ( 11.960 -9.535 0.000) 15.296 8.710 ( 6.806 -10.175 0.000) 12.242 8.725 ( -9.673 -13.151 0.000) 16.325 8.935 ( -12.999 -12.504 0.000) 18.036 9.394 ( 6.085 -2.398 0.000) 6.541 9.542 ( -8.958 -6.989 0.000) 11.362 10.967 ( 12.637 17.259 0.000) 21.391 10.970 ( 5.478 11.154 0.000) 12.426 11.068 ( 5.892 10.704 0.000) 12.219 11.292 ( -10.713 11.039 0.000) 15.383 11.390 ( 8.283 0.356 0.000) 8.291 11.547 ( -7.580 -1.607 0.000) 7.749 11.770 ( 8.127 -4.074 0.000) 9.091 11.911 ( -6.254 -4.122 0.000) 7.491 15.002 ( 6.444 -1.012 0.000) 6.523 15.155 ( -9.611 -6.636 0.000) 11.680 15.295 ( 8.906 -1.185 0.000) 8.985 15.494 ( -11.631 -7.080 0.000) 13.616 16.315 ( 1.253 1.922 0.000) 2.294 16.335 ( -0.619 2.382 0.000) 2.461 16.554 ( 5.412 -2.150 0.000) 5.823 16.677 ( -7.142 -4.951 0.000) 8.690 17.715 ( 15.361 14.303 0.000) 20.989 17.940 ( -7.747 7.718 0.000) 10.936 18.786 ( 32.007 32.119 0.000) 45.344 19.383 ( -30.164 31.061 0.000) 43.297 20.451 ( 23.815 -24.569 0.000) 34.217 20.860 ( -18.928 -19.796 0.000) 27.389 21.493 ( 1.263 -3.149 0.000) 3.393 21.536 ( -3.184 -4.254 0.000) 5.314 ======================= Grid point 40 (15/45) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.224 1.224 0.000) 1.730 1.785 ( -0.480 -0.480 0.000) 0.678 2.128 ( 6.204 6.204 0.000) 8.773 2.263 ( -4.673 -4.673 0.000) 6.608 2.509 ( -0.862 -0.862 0.000) 1.219 2.605 ( -8.341 -8.341 0.000) 11.796 2.654 ( -0.589 -0.589 0.000) 0.832 2.677 ( -3.024 -3.024 0.000) 4.276 2.812 ( -1.338 -1.338 0.000) 1.892 2.827 ( -2.725 -2.725 0.000) 3.853 2.984 ( -1.646 -1.646 0.000) 2.327 2.989 ( -1.876 -1.876 0.000) 2.653 3.275 ( 14.733 14.733 0.000) 20.835 3.488 ( 4.852 4.852 0.000) 6.862 3.519 ( 4.681 4.681 0.000) 6.620 3.532 ( 0.009 0.009 0.000) 0.012 3.628 ( -1.020 -1.020 0.000) 1.442 3.663 ( 2.624 2.624 0.000) 3.711 3.716 ( -1.663 -1.663 0.000) 2.351 3.804 ( -10.819 -10.819 0.000) 15.301 4.110 ( 5.237 5.237 0.000) 7.406 4.151 ( 0.550 0.550 0.000) 0.777 4.175 ( 0.999 0.999 0.000) 1.412 4.317 ( -2.684 -2.684 0.000) 3.795 4.326 ( -12.566 -12.566 0.000) 17.770 4.404 ( -12.001 -12.001 0.000) 16.972 4.683 ( -0.087 -0.087 0.000) 0.123 4.760 ( -7.604 -7.604 0.000) 10.754 5.039 ( 2.826 2.826 0.000) 3.997 5.067 ( -0.232 -0.232 0.000) 0.328 5.552 ( 3.370 3.370 0.000) 4.766 5.564 ( 1.987 1.987 0.000) 2.810 5.587 ( 0.763 0.763 0.000) 1.080 5.591 ( -0.084 -0.084 0.000) 0.119 6.124 ( 2.167 2.167 0.000) 3.065 6.137 ( 0.651 0.651 0.000) 0.920 6.591 ( 6.188 6.188 0.000) 8.752 6.608 ( 4.416 4.416 0.000) 6.246 6.807 ( 21.953 21.953 0.000) 31.047 7.046 ( 4.507 4.507 0.000) 6.374 7.258 ( 6.230 6.230 0.000) 8.811 7.436 ( -5.147 -5.147 0.000) 7.279 7.544 ( 1.683 1.683 0.000) 2.380 7.589 ( -0.281 -0.281 0.000) 0.397 7.677 ( 3.208 3.208 0.000) 4.537 7.701 ( 0.847 0.847 0.000) 1.198 7.794 ( 3.344 3.344 0.000) 4.729 7.800 ( 5.949 5.949 0.000) 8.414 7.828 ( 2.048 2.048 0.000) 2.896 7.890 ( 1.409 1.409 0.000) 1.993 7.896 ( 4.917 4.917 0.000) 6.954 8.089 ( -8.710 -8.710 0.000) 12.317 8.222 ( 2.696 2.696 0.000) 3.813 8.317 ( -7.235 -7.235 0.000) 10.232 8.375 ( 0.358 0.358 0.000) 0.507 8.493 ( -10.071 -10.071 0.000) 14.243 8.595 ( -0.182 -0.182 0.000) 0.258 8.707 ( -10.316 -10.316 0.000) 14.589 9.367 ( 0.264 0.264 0.000) 0.373 9.419 ( -5.090 -5.090 0.000) 7.198 11.147 ( 6.691 6.691 0.000) 9.463 11.193 ( 3.208 3.208 0.000) 4.537 11.286 ( 12.804 12.804 0.000) 18.108 11.404 ( 2.259 2.259 0.000) 3.194 11.416 ( -0.052 -0.052 0.000) 0.074 11.500 ( -4.456 -4.456 0.000) 6.302 11.713 ( 1.067 1.067 0.000) 1.509 11.809 ( -6.275 -6.275 0.000) 8.874 15.008 ( 1.477 1.477 0.000) 2.088 15.056 ( -3.705 -3.705 0.000) 5.240 15.301 ( 2.008 2.008 0.000) 2.840 15.372 ( -5.298 -5.298 0.000) 7.493 16.353 ( 1.810 1.810 0.000) 2.560 16.369 ( 0.589 0.589 0.000) 0.833 16.535 ( 0.749 0.749 0.000) 1.059 16.587 ( -4.166 -4.166 0.000) 5.891 17.941 ( 8.521 8.521 0.000) 12.050 18.022 ( 0.233 0.233 0.000) 0.330 19.390 ( 30.550 30.550 0.000) 43.204 19.935 ( 0.342 0.342 0.000) 0.483 19.963 ( -0.317 -0.317 0.000) 0.448 20.443 ( -23.725 -23.725 0.000) 33.552 21.452 ( -0.752 -0.752 0.000) 1.064 21.469 ( -2.431 -2.431 0.000) 3.438 ======================= Grid point 81 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 0.000 30.352) 30.352 0.628 ( 0.000 0.000 30.352) 30.352 1.201 ( 0.000 0.000 58.718) 58.718 1.657 ( 0.000 0.000 -15.910) 15.910 1.657 ( 0.000 0.000 -15.910) 15.910 1.905 ( 0.000 0.000 -2.451) 2.451 1.905 ( 0.000 0.000 -2.451) 2.451 2.859 ( -0.000 0.000 16.606) 16.606 3.050 ( -0.000 0.000 -5.342) 5.342 3.200 ( 0.000 0.000 6.908) 6.908 3.200 ( 0.000 0.000 6.908) 6.908 3.255 ( 0.000 -0.000 1.149) 1.149 3.452 ( 0.000 0.000 -3.201) 3.201 3.561 ( 0.000 0.000 -6.829) 6.829 3.571 ( 0.000 0.000 -37.305) 37.305 3.587 ( 0.000 0.000 -11.798) 11.798 3.795 ( 0.000 -0.000 4.293) 4.293 3.795 ( -0.000 0.000 4.293) 4.293 3.911 ( 0.000 0.000 6.058) 6.058 3.911 ( 0.000 0.000 6.058) 6.058 3.988 ( 0.000 0.000 7.610) 7.610 4.062 ( -0.000 -0.000 7.347) 7.347 4.274 ( -0.000 0.000 -2.815) 2.815 4.282 ( -0.000 -0.000 -0.268) 0.268 4.282 ( 0.000 0.000 -0.268) 0.268 4.527 ( 0.000 0.000 -0.201) 0.201 4.527 ( -0.000 -0.000 -0.201) 0.201 4.577 ( 0.000 0.000 -17.534) 17.534 4.767 ( -0.000 -0.000 -15.126) 15.126 4.767 ( 0.000 0.000 -15.126) 15.126 4.789 ( 0.000 0.000 9.728) 9.728 5.069 ( 0.000 0.000 0.669) 0.669 5.357 ( 0.000 0.000 26.213) 26.213 6.015 ( -0.000 -0.000 -10.585) 10.585 6.051 ( 0.000 0.000 -2.391) 2.391 6.190 ( 0.000 0.000 3.379) 3.379 6.190 ( 0.000 0.000 3.379) 3.379 6.353 ( 0.000 0.000 -6.794) 6.794 6.511 ( 0.000 0.000 6.680) 6.680 6.535 ( 0.000 0.000 0.787) 0.787 6.535 ( 0.000 0.000 0.787) 0.787 6.700 ( 0.000 0.000 -2.135) 2.135 6.790 ( 0.000 0.000 12.676) 12.676 7.165 ( 0.000 0.000 -3.395) 3.395 7.165 ( -0.000 -0.000 -3.395) 3.395 7.264 ( -0.000 -0.000 -7.014) 7.014 7.343 ( -0.000 0.000 2.620) 2.620 7.343 ( 0.000 0.000 2.620) 2.620 7.797 ( 0.000 0.000 -0.068) 0.068 7.797 ( -0.000 0.000 -0.068) 0.068 7.816 ( 0.000 0.000 -0.546) 0.546 7.816 ( -0.000 -0.000 -0.546) 0.546 7.838 ( 0.000 0.000 0.392) 0.392 7.856 ( 0.000 0.000 -0.321) 0.321 8.108 ( 0.000 0.000 -0.216) 0.216 8.108 ( 0.000 0.000 -0.216) 0.216 9.675 ( 0.000 0.000 1.129) 1.129 9.746 ( 0.000 0.000 -1.688) 1.688 9.760 ( -0.000 0.000 6.099) 6.099 10.136 ( 0.000 0.000 -10.371) 10.371 10.193 ( 0.000 0.000 1.112) 1.112 10.238 ( 0.000 0.000 -0.678) 0.678 10.563 ( 0.000 0.000 6.865) 6.865 10.751 ( 0.000 0.000 -2.263) 2.263 11.099 ( -0.000 -0.000 4.356) 4.356 11.099 ( 0.000 0.000 4.356) 4.356 11.789 ( 0.000 0.000 1.090) 1.090 11.837 ( 0.000 0.000 -0.781) 0.781 14.478 ( 0.000 0.000 -5.782) 5.782 14.478 ( -0.000 0.000 -5.782) 5.782 15.847 ( 0.000 0.000 -0.077) 0.077 15.847 ( -0.000 0.000 -0.077) 0.077 16.240 ( 0.000 0.000 2.778) 2.778 16.240 ( 0.000 -0.000 2.778) 2.778 16.870 ( 0.000 -0.000 9.042) 9.042 17.457 ( -0.000 -0.000 -15.713) 15.713 17.985 ( -0.000 0.000 0.044) 0.044 17.985 ( 0.000 0.000 0.044) 0.044 18.749 ( 0.000 0.000 13.729) 13.729 19.236 ( -0.000 -0.000 -7.135) 7.135 19.901 ( 0.000 0.000 -0.003) 0.003 19.901 ( 0.000 0.000 -0.003) 0.003 21.796 ( 0.000 0.000 0.017) 0.017 21.796 ( -0.000 0.000 0.017) 0.017 ======================= Grid point 82 (17/45) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 13.976 0.000 21.832) 25.922 0.927 ( 25.390 0.000 20.638) 32.720 1.588 ( 31.628 0.000 41.973) 52.555 1.772 ( 7.483 0.000 -20.885) 22.185 1.834 ( 15.731 0.000 -16.608) 22.876 2.138 ( 21.566 0.000 0.898) 21.585 2.160 ( 23.779 0.000 1.667) 23.837 2.925 ( -10.526 0.000 1.194) 10.593 2.926 ( 7.146 0.000 13.419) 15.203 3.177 ( -1.525 0.000 4.233) 4.500 3.208 ( -0.064 0.000 5.633) 5.633 3.241 ( -1.147 0.000 0.933) 1.478 3.394 ( -7.206 0.000 -5.415) 9.014 3.475 ( -6.035 0.000 -7.731) 9.808 3.502 ( -4.959 0.000 -4.876) 6.955 3.702 ( 12.171 0.000 -34.845) 36.910 3.781 ( -1.484 0.000 6.316) 6.488 3.837 ( 3.677 0.000 4.286) 5.647 3.881 ( -3.045 0.000 6.168) 6.879 3.926 ( -7.021 0.000 8.897) 11.334 3.985 ( -3.263 0.000 2.931) 4.386 3.991 ( 7.050 0.000 0.618) 7.078 4.156 ( -7.052 0.000 -3.979) 8.097 4.271 ( -4.682 0.000 1.507) 4.919 4.343 ( 2.277 0.000 -1.386) 2.666 4.506 ( 1.598 0.000 -6.354) 6.552 4.539 ( 3.897 0.000 -0.181) 3.901 4.664 ( 4.567 0.000 -11.129) 12.029 4.729 ( -3.634 0.000 -14.038) 14.500 4.841 ( 6.928 0.000 -14.879) 16.413 5.077 ( 0.166 0.000 8.027) 8.029 5.146 ( 23.657 0.000 1.341) 23.695 5.299 ( -2.609 0.000 18.907) 19.086 5.559 ( -17.427 0.000 6.564) 18.622 5.936 ( -6.300 0.000 2.310) 6.710 6.208 ( -7.075 0.000 -3.019) 7.692 6.338 ( 3.118 0.000 0.440) 3.148 6.365 ( 10.443 0.000 0.028) 10.443 6.426 ( -7.273 0.000 3.042) 7.884 6.504 ( -11.528 0.000 -0.589) 11.543 6.615 ( 5.577 0.000 2.541) 6.129 6.692 ( 11.934 0.000 -1.815) 12.071 6.762 ( -2.440 0.000 11.890) 12.138 7.104 ( -10.286 0.000 2.318) 10.544 7.175 ( -1.113 0.000 1.179) 1.622 7.217 ( -4.786 0.000 -6.785) 8.303 7.278 ( -11.767 0.000 -3.638) 12.317 7.508 ( 1.486 0.000 -10.896) 10.997 7.551 ( -1.554 0.000 7.875) 8.027 7.810 ( -0.452 0.000 1.663) 1.723 7.864 ( 6.421 0.000 -5.001) 8.139 7.865 ( 5.002 0.000 -0.832) 5.070 8.088 ( 19.279 0.000 3.908) 19.671 8.236 ( 20.668 0.000 -2.616) 20.833 8.329 ( 23.202 0.000 3.584) 23.477 8.987 ( 52.221 0.000 -44.480) 68.597 9.582 ( -9.860 0.000 2.212) 10.105 9.684 ( -7.448 0.000 6.204) 9.694 9.725 ( -3.174 0.000 -3.971) 5.084 10.052 ( -10.494 0.000 -5.237) 11.728 10.144 ( -1.635 0.000 -3.143) 3.543 10.242 ( 0.352 0.000 -2.042) 2.072 10.533 ( -2.355 0.000 7.207) 7.582 10.757 ( 0.990 0.000 -3.284) 3.430 11.140 ( 3.725 0.000 6.206) 7.238 11.212 ( 10.077 0.000 3.004) 10.515 11.835 ( -0.345 0.000 -0.616) 0.706 11.877 ( 6.648 0.000 -8.041) 10.433 14.520 ( 4.359 0.000 -5.683) 7.162 14.534 ( 5.741 0.000 -6.365) 8.572 15.969 ( 12.460 0.000 -0.049) 12.460 15.970 ( 12.533 0.000 -0.084) 12.533 16.248 ( 0.740 0.000 3.265) 3.348 16.264 ( 2.465 0.000 2.566) 3.558 16.704 ( -18.710 0.000 10.353) 21.384 17.279 ( -20.609 0.000 -15.929) 26.048 17.285 ( -39.400 0.000 35.960) 53.343 17.688 ( -21.791 0.000 2.446) 21.928 18.628 ( -13.731 0.000 8.173) 15.979 18.670 ( -6.913 0.000 4.613) 8.311 20.243 ( 27.950 0.000 5.184) 28.426 20.805 ( 32.269 0.000 -25.964) 41.418 21.784 ( -1.264 0.000 0.075) 1.267 21.787 ( -0.957 0.000 -0.042) 0.958 ======================= Grid point 83 (18/45) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 20.000 0.000 3.010) 20.225 1.450 ( 27.307 0.000 13.082) 30.279 1.809 ( -4.394 0.000 -22.760) 23.180 2.151 ( 23.654 0.000 11.026) 26.097 2.175 ( 16.521 0.000 1.533) 16.592 2.500 ( 6.724 0.000 8.207) 10.610 2.630 ( 20.557 0.000 2.528) 20.712 2.706 ( -8.894 0.000 3.497) 9.557 3.056 ( 0.771 0.000 5.437) 5.492 3.171 ( -2.622 0.000 3.844) 4.653 3.172 ( -0.554 0.000 -0.765) 0.945 3.250 ( -4.384 0.000 -7.378) 8.583 3.259 ( 6.643 0.000 -1.581) 6.829 3.427 ( 3.605 0.000 1.250) 3.815 3.446 ( 1.248 0.000 -3.060) 3.304 3.745 ( -9.321 0.000 7.476) 11.949 3.766 ( 1.370 0.000 10.442) 10.531 3.834 ( -2.458 0.000 10.168) 10.461 3.876 ( -1.612 0.000 3.439) 3.798 3.961 ( -1.389 0.000 -0.914) 1.663 4.014 ( 19.180 0.000 -25.186) 31.657 4.055 ( -2.071 0.000 -6.478) 6.801 4.128 ( 6.111 0.000 -8.248) 10.265 4.245 ( 7.574 0.000 6.465) 9.958 4.396 ( 3.627 0.000 -2.441) 4.372 4.607 ( 6.407 0.000 -7.391) 9.781 4.650 ( -0.807 0.000 -8.027) 8.068 4.686 ( 10.367 0.000 -0.658) 10.388 4.739 ( 4.615 0.000 -8.096) 9.319 4.972 ( 5.561 0.000 -11.872) 13.110 5.023 ( -4.768 0.000 12.798) 13.657 5.310 ( -6.904 0.000 2.187) 7.243 5.377 ( 9.637 0.000 14.127) 17.101 5.547 ( 11.861 0.000 -0.286) 11.864 5.834 ( -4.684 0.000 2.571) 5.343 6.101 ( -5.205 0.000 -5.576) 7.628 6.193 ( -12.676 0.000 -1.155) 12.728 6.231 ( -12.254 0.000 -0.525) 12.266 6.441 ( 3.496 0.000 1.883) 3.971 6.506 ( 3.493 0.000 -1.452) 3.783 6.637 ( -7.133 0.000 4.788) 8.591 6.754 ( 3.336 0.000 7.517) 8.224 6.832 ( -5.819 0.000 -3.255) 6.667 6.949 ( -12.811 0.000 5.580) 13.973 6.985 ( 4.023 0.000 0.568) 4.063 7.093 ( -7.583 0.000 -5.309) 9.257 7.203 ( -1.338 0.000 -0.274) 1.365 7.508 ( -0.812 0.000 -9.769) 9.803 7.644 ( 8.735 0.000 7.397) 11.446 7.818 ( 2.773 0.000 2.509) 3.739 7.970 ( 6.793 0.000 -1.503) 6.958 8.036 ( 12.183 0.000 -6.305) 13.717 8.475 ( 20.078 0.000 4.868) 20.660 8.643 ( 19.266 0.000 -2.322) 19.405 8.896 ( 32.758 0.000 7.198) 33.539 9.311 ( -17.401 0.000 3.899) 17.832 9.502 ( -10.147 0.000 6.633) 12.122 9.529 ( -2.911 0.000 -14.662) 14.948 9.592 ( -2.071 0.000 -13.189) 13.351 9.824 ( -10.460 0.000 -0.783) 10.489 10.166 ( 5.130 0.000 -6.911) 8.607 10.235 ( -1.479 0.000 -2.992) 3.338 10.502 ( -0.331 0.000 8.186) 8.193 10.802 ( 3.577 0.000 -6.244) 7.196 11.214 ( 3.525 0.000 10.458) 11.036 11.423 ( 11.007 0.000 1.127) 11.064 11.813 ( -2.277 0.000 -0.177) 2.284 11.969 ( 2.414 0.000 -12.189) 12.426 14.646 ( 8.764 0.000 -5.390) 10.289 14.692 ( 10.545 0.000 -7.771) 13.099 16.210 ( -12.332 0.000 4.447) 13.110 16.302 ( 17.337 0.000 0.408) 17.342 16.302 ( 18.354 0.000 0.675) 18.366 16.327 ( 7.646 0.000 1.221) 7.742 16.341 ( -4.502 0.000 5.582) 7.171 16.723 ( -30.737 0.000 -10.124) 32.361 16.854 ( -13.614 0.000 24.852) 28.336 17.350 ( -14.840 0.000 -1.937) 14.965 18.419 ( -11.400 0.000 2.906) 11.765 18.491 ( -12.020 0.000 0.217) 12.022 20.769 ( 24.789 0.000 6.161) 25.543 21.189 ( 12.916 0.000 -11.464) 17.270 21.748 ( -2.549 0.000 0.241) 2.560 21.759 ( -1.989 0.000 -0.201) 1.999 ======================= Grid point 84 (19/45) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 17.234 0.000 -8.723) 19.316 1.664 ( -7.672 0.000 -14.529) 16.430 1.931 ( 20.489 0.000 8.583) 22.214 2.246 ( -19.354 0.000 10.200) 21.877 2.275 ( -6.570 0.000 7.988) 10.343 2.533 ( 16.890 0.000 -12.270) 20.876 2.710 ( 0.096 0.000 2.284) 2.286 2.836 ( 2.418 0.000 0.098) 2.420 3.026 ( 0.247 0.000 4.681) 4.688 3.140 ( -3.429 0.000 -0.192) 3.434 3.158 ( 1.053 0.000 -2.723) 2.920 3.227 ( 5.389 0.000 7.757) 9.445 3.467 ( 10.861 0.000 -8.193) 13.605 3.479 ( -5.368 0.000 11.482) 12.675 3.570 ( 10.409 0.000 -3.154) 10.877 3.574 ( -7.471 0.000 4.326) 8.633 3.765 ( -8.069 0.000 -4.102) 9.051 3.787 ( -3.177 0.000 9.136) 9.673 3.934 ( 7.825 0.000 7.200) 10.634 4.027 ( -1.672 0.000 -3.731) 4.088 4.065 ( 24.620 0.000 6.539) 25.473 4.158 ( -2.536 0.000 -8.602) 8.968 4.349 ( -0.550 0.000 -9.182) 9.199 4.480 ( 20.447 0.000 -9.822) 22.684 4.532 ( 15.828 0.000 2.009) 15.955 4.655 ( -1.637 0.000 1.419) 2.166 4.791 ( 9.674 0.000 -0.663) 9.697 4.901 ( 11.027 0.000 -0.535) 11.040 4.936 ( 15.159 0.000 -7.241) 16.800 4.987 ( 3.221 0.000 3.670) 4.883 5.004 ( -3.096 0.000 -3.459) 4.642 5.181 ( -6.100 0.000 -2.042) 6.433 5.581 ( 9.653 0.000 10.873) 14.540 5.629 ( -1.339 0.000 -2.417) 2.764 5.750 ( -3.410 0.000 0.761) 3.494 5.916 ( -8.449 0.000 2.375) 8.777 6.017 ( -7.667 0.000 -1.094) 7.745 6.196 ( 7.695 0.000 -8.393) 11.387 6.413 ( -12.953 0.000 4.874) 13.839 6.480 ( -1.097 0.000 -3.311) 3.488 6.489 ( -6.027 0.000 -0.854) 6.087 6.643 ( -9.687 0.000 -1.000) 9.738 6.700 ( -11.241 0.000 5.074) 12.334 6.871 ( 4.574 0.000 7.777) 9.023 6.890 ( -11.612 0.000 -3.896) 12.248 7.097 ( 3.887 0.000 -1.907) 4.330 7.169 ( -2.092 0.000 4.158) 4.655 7.468 ( -3.978 0.000 -7.393) 8.395 7.865 ( 13.993 0.000 4.812) 14.797 7.977 ( 14.280 0.000 0.281) 14.283 8.145 ( 11.489 0.000 -0.054) 11.489 8.327 ( 17.779 0.000 -7.644) 19.353 8.841 ( 17.667 0.000 4.661) 18.272 8.884 ( -3.605 0.000 3.013) 4.699 8.937 ( -15.082 0.000 3.183) 15.414 9.190 ( -21.738 0.000 -7.558) 23.014 9.267 ( 3.471 0.000 -1.405) 3.744 9.465 ( -14.143 0.000 -8.214) 16.355 9.565 ( 18.510 0.000 7.958) 20.149 9.684 ( -7.427 0.000 3.392) 8.165 10.218 ( 2.682 0.000 -0.218) 2.691 10.326 ( 9.457 0.000 -3.549) 10.101 10.519 ( 1.529 0.000 8.083) 8.226 10.852 ( -0.224 0.000 -7.435) 7.438 11.286 ( 4.986 0.000 12.740) 13.681 11.620 ( 9.498 0.000 -1.559) 9.625 11.738 ( -5.636 0.000 0.795) 5.692 11.972 ( -1.863 0.000 -10.603) 10.766 14.856 ( 13.205 0.000 -4.958) 14.105 14.931 ( 14.128 0.000 -9.337) 16.935 15.884 ( -17.451 0.000 -4.947) 18.139 16.036 ( -27.396 0.000 -6.159) 28.080 16.345 ( 2.560 0.000 7.512) 7.936 16.508 ( 5.151 0.000 -0.271) 5.158 16.640 ( -8.878 0.000 19.796) 21.695 16.778 ( 26.328 0.000 0.167) 26.329 16.787 ( 26.905 0.000 -0.178) 26.906 17.082 ( -13.157 0.000 -2.861) 13.464 18.150 ( -16.974 0.000 1.435) 17.035 18.203 ( -18.073 0.000 -0.518) 18.081 21.167 ( 16.826 0.000 4.010) 17.297 21.387 ( 8.552 0.000 -4.623) 9.722 21.685 ( -4.094 0.000 0.527) 4.128 21.710 ( -3.195 0.000 -0.442) 3.225 ======================= Grid point 85 (20/45) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 3.464 0.000 -3.533) 4.948 1.757 ( 14.871 0.000 -11.361) 18.715 1.812 ( -16.856 0.000 5.031) 17.591 2.043 ( -14.788 0.000 -5.156) 15.661 2.356 ( 16.746 0.000 6.650) 18.018 2.617 ( -9.786 0.000 4.396) 10.729 2.779 ( 8.158 0.000 -10.606) 13.381 2.858 ( -0.329 0.000 1.245) 1.288 3.058 ( 1.547 0.000 6.755) 6.930 3.083 ( 0.415 0.000 3.143) 3.170 3.263 ( 9.784 0.000 -5.371) 11.162 3.291 ( -1.461 0.000 6.360) 6.526 3.381 ( -8.292 0.000 9.917) 12.927 3.482 ( -10.874 0.000 -5.974) 12.407 3.488 ( 7.158 0.000 8.694) 11.261 3.661 ( -8.621 0.000 10.509) 13.593 3.732 ( 10.325 0.000 -10.637) 14.824 3.815 ( 10.913 0.000 -5.159) 12.071 3.931 ( -8.655 0.000 -8.909) 12.421 4.017 ( -9.957 0.000 -7.454) 12.438 4.216 ( 18.733 0.000 6.340) 19.777 4.397 ( 6.407 0.000 3.614) 7.356 4.544 ( -7.781 0.000 7.794) 11.013 4.558 ( -10.547 0.000 3.336) 11.062 4.588 ( 21.832 0.000 4.446) 22.280 4.863 ( 15.040 0.000 -7.295) 16.715 4.937 ( -8.213 0.000 0.126) 8.214 4.947 ( 6.076 0.000 -3.379) 6.952 5.063 ( 4.079 0.000 -0.067) 4.079 5.075 ( 2.697 0.000 0.487) 2.741 5.079 ( -0.469 0.000 0.665) 0.813 5.121 ( -0.077 0.000 -2.942) 2.943 5.657 ( 5.247 0.000 -4.967) 7.225 5.691 ( 5.236 0.000 -9.771) 11.085 5.763 ( 0.800 0.000 0.286) 0.850 5.782 ( -6.655 0.000 -0.728) 6.695 6.014 ( 7.778 0.000 6.769) 10.311 6.238 ( -7.053 0.000 7.185) 10.068 6.302 ( -6.926 0.000 1.716) 7.136 6.364 ( 6.800 0.000 -5.968) 9.047 6.446 ( -13.519 0.000 6.422) 14.967 6.450 ( 3.986 0.000 -3.897) 5.574 6.483 ( -7.777 0.000 -3.686) 8.606 6.649 ( -12.768 0.000 -3.140) 13.149 6.990 ( 6.942 0.000 5.792) 9.042 7.108 ( -4.732 0.000 5.218) 7.045 7.201 ( 7.346 0.000 -2.731) 7.838 7.353 ( -7.635 0.000 -4.718) 8.975 8.169 ( 17.502 0.000 3.517) 17.852 8.328 ( 21.121 0.000 -3.290) 21.376 8.403 ( 15.159 0.000 3.336) 15.521 8.529 ( -19.801 0.000 3.609) 20.127 8.695 ( 19.781 0.000 -8.416) 21.497 8.709 ( -15.759 0.000 5.473) 16.683 8.756 ( -22.804 0.000 -5.814) 23.533 9.032 ( -9.056 0.000 -6.164) 10.955 9.267 ( 5.537 0.000 3.330) 6.461 9.465 ( 13.219 0.000 -3.648) 13.713 9.492 ( -12.151 0.000 5.750) 13.443 9.673 ( -6.304 0.000 -1.885) 6.580 10.444 ( 17.751 0.000 4.199) 18.241 10.475 ( 5.561 0.000 2.976) 6.307 10.533 ( -0.714 0.000 6.635) 6.673 10.742 ( -11.436 0.000 -0.964) 11.477 11.424 ( 8.926 0.000 7.619) 11.736 11.599 ( -8.640 0.000 3.039) 9.159 11.784 ( 7.502 0.000 -4.922) 8.973 11.905 ( -5.030 0.000 -8.035) 9.480 15.153 ( 17.853 0.000 -4.666) 18.452 15.226 ( 16.396 0.000 -10.274) 19.349 15.545 ( -23.080 0.000 -5.084) 23.633 15.551 ( -17.308 0.000 -9.549) 19.767 16.407 ( 3.907 0.000 11.003) 11.676 16.499 ( -5.901 0.000 15.348) 16.443 16.652 ( 9.075 0.000 -0.818) 9.112 16.848 ( -11.253 0.000 -2.046) 11.437 17.292 ( 26.438 0.000 0.367) 26.440 17.311 ( 27.054 0.000 -0.325) 27.056 17.768 ( -22.709 0.000 0.754) 22.722 17.801 ( -23.585 0.000 -0.482) 23.590 21.426 ( 10.522 0.000 2.105) 10.730 21.529 ( 6.403 0.000 -1.921) 6.685 21.586 ( -6.486 0.000 1.047) 6.570 21.635 ( -4.662 0.000 -0.875) 4.744 ======================= Grid point 91 (21/45) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 11.230 11.230 21.599) 26.809 0.987 ( 14.701 14.701 16.259) 26.393 1.822 ( 5.977 5.977 -19.449) 21.206 1.903 ( 15.695 15.695 -1.390) 22.240 1.999 ( 20.978 20.978 11.536) 31.832 2.298 ( 15.697 15.697 3.618) 22.492 2.405 ( 20.635 20.635 2.383) 29.279 2.871 ( -5.485 -5.485 5.617) 9.577 2.949 ( 3.169 3.169 11.205) 12.068 3.162 ( -1.644 -1.644 3.434) 4.147 3.180 ( -1.628 -1.628 3.245) 3.979 3.233 ( -0.260 -0.260 0.721) 0.809 3.366 ( -7.821 -7.821 -10.326) 15.131 3.381 ( -2.451 -2.451 -1.631) 3.831 3.476 ( -2.456 -2.456 -2.606) 4.342 3.738 ( -4.435 -4.435 3.387) 7.128 3.806 ( 9.300 9.300 -26.763) 29.820 3.837 ( 0.958 0.958 5.736) 5.894 3.859 ( -5.292 -5.292 4.550) 8.759 3.918 ( -3.897 -3.897 13.068) 14.182 3.979 ( 4.273 4.273 0.624) 6.075 3.996 ( 3.139 3.139 -11.067) 11.924 4.092 ( -3.683 -3.683 -0.297) 5.216 4.258 ( -1.952 -1.952 1.590) 3.186 4.293 ( -2.720 -2.720 0.018) 3.847 4.450 ( -0.355 -0.355 -1.423) 1.509 4.611 ( 2.992 2.992 -7.154) 8.312 4.704 ( 4.385 4.385 -10.566) 12.252 4.814 ( 2.103 2.103 -13.191) 13.522 4.814 ( 2.134 2.134 -13.199) 13.540 5.095 ( 0.141 0.141 14.004) 14.005 5.294 ( 2.981 2.981 12.978) 13.645 5.354 ( 8.144 8.144 5.010) 12.559 5.528 ( 3.917 3.917 1.010) 5.631 5.923 ( -3.049 -3.049 1.558) 4.585 6.194 ( -3.322 -3.322 -5.166) 6.983 6.278 ( 4.164 4.164 2.293) 6.320 6.323 ( -10.882 -10.882 1.882) 15.505 6.376 ( -8.790 -8.790 -0.508) 12.442 6.502 ( 4.894 4.894 0.546) 6.942 6.646 ( 5.643 5.643 0.860) 8.027 6.682 ( -7.444 -7.444 9.762) 14.356 6.841 ( 10.104 10.104 -0.920) 14.319 7.031 ( -2.820 -2.820 4.903) 6.320 7.189 ( -0.764 -0.764 -3.055) 3.240 7.209 ( 1.219 1.219 -5.062) 5.347 7.249 ( -10.497 -10.497 -2.321) 15.025 7.377 ( 1.591 1.591 2.460) 3.333 7.682 ( 2.683 2.683 -6.470) 7.500 7.806 ( 0.453 0.453 0.292) 0.704 7.838 ( 1.121 1.121 -0.763) 1.759 7.994 ( 5.778 5.778 4.448) 9.303 8.150 ( 2.064 2.064 -0.186) 2.924 8.438 ( 28.009 28.009 2.142) 39.669 8.503 ( 15.739 15.739 0.372) 22.262 9.323 ( 20.229 20.229 -33.166) 43.800 9.495 ( -9.227 -9.227 2.478) 13.282 9.620 ( -4.663 -4.663 4.461) 7.962 9.679 ( -5.289 -5.289 -5.750) 9.435 10.011 ( -7.891 -7.891 4.708) 12.112 10.049 ( -3.219 -3.219 -13.831) 14.561 10.295 ( 4.273 4.273 -1.858) 6.323 10.474 ( -4.518 -4.518 6.286) 8.963 10.796 ( 3.378 3.378 -2.154) 5.240 11.234 ( 5.322 5.322 4.572) 8.806 11.252 ( 6.670 6.670 4.835) 10.599 11.831 ( -0.460 -0.460 -0.693) 0.951 11.926 ( 3.800 3.800 -10.646) 11.925 14.532 ( 2.540 2.540 -6.359) 7.303 14.600 ( 5.612 5.612 -6.141) 10.035 16.041 ( 10.188 10.188 0.010) 14.407 16.152 ( 15.573 15.573 -0.101) 22.024 16.264 ( 1.262 1.262 3.102) 3.579 16.269 ( -0.031 -0.031 3.016) 3.016 16.506 ( -16.938 -16.938 10.312) 26.079 16.985 ( -14.628 -14.628 13.975) 24.964 17.194 ( -19.832 -19.832 1.434) 28.084 17.618 ( -21.610 -21.610 6.776) 31.303 17.986 ( 0.074 0.074 0.044) 0.114 19.542 ( 15.244 15.244 4.194) 21.962 19.897 ( -0.129 -0.129 -0.006) 0.183 21.102 ( 15.979 15.979 -13.305) 26.223 21.758 ( -2.264 -2.264 0.018) 3.202 21.786 ( -0.673 -0.673 0.012) 0.952 ======================= Grid point 92 (22/45) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 18.272 7.207 6.405) 20.660 1.393 ( 23.640 1.759 11.093) 26.173 1.851 ( -5.139 4.732 -20.743) 21.887 2.118 ( 12.185 -5.459 -18.631) 22.922 2.467 ( 17.276 24.492 23.325) 37.978 2.553 ( 3.721 5.856 8.360) 10.864 2.737 ( -3.040 2.838 2.664) 4.939 2.774 ( 11.806 9.865 5.940) 16.492 3.024 ( 2.290 -4.537 5.058) 7.170 3.103 ( -6.355 -3.041 2.220) 7.387 3.148 ( -1.334 -2.635 -3.027) 4.229 3.200 ( -6.275 -4.868 -6.060) 9.990 3.277 ( 7.488 0.311 -2.662) 7.953 3.417 ( 7.337 1.156 3.151) 8.068 3.459 ( 2.921 0.114 -1.884) 3.478 3.671 ( -0.211 -6.643 4.820) 8.211 3.711 ( -9.043 -4.046 5.178) 11.178 3.793 ( -5.122 -4.346 7.284) 9.908 3.835 ( -3.958 -4.993 6.387) 9.022 3.980 ( -1.160 1.238 1.444) 2.228 4.050 ( 5.309 2.160 -10.637) 12.083 4.131 ( 11.445 8.637 -16.034) 21.510 4.152 ( 5.341 3.365 -4.808) 7.935 4.263 ( 11.550 5.422 1.781) 12.883 4.337 ( 7.845 -4.026 2.686) 9.218 4.538 ( 8.589 -5.144 -0.819) 10.045 4.659 ( 0.518 1.279 -10.015) 10.110 4.760 ( 1.631 7.120 -10.627) 12.895 4.814 ( 7.731 7.034 -6.329) 12.219 4.958 ( 5.658 -1.866 -8.632) 10.489 5.030 ( -4.953 -1.550 8.824) 10.237 5.302 ( -5.454 -0.724 3.494) 6.517 5.458 ( 10.985 8.472 16.108) 21.258 5.726 ( 6.591 12.300 0.017) 13.955 5.866 ( -2.615 2.821 0.635) 3.899 6.015 ( -12.835 -10.000 2.001) 16.393 6.181 ( -10.701 -4.384 -1.941) 11.726 6.189 ( 0.691 4.428 -5.381) 7.003 6.416 ( 6.935 0.175 1.203) 7.040 6.481 ( -12.752 -14.893 5.055) 20.248 6.598 ( 4.266 5.538 -2.709) 7.497 6.740 ( -4.510 4.285 -0.390) 6.233 6.864 ( -6.657 -3.322 3.853) 8.379 7.005 ( 0.605 8.677 -1.078) 8.765 7.131 ( 4.289 11.312 3.523) 12.601 7.173 ( -2.147 4.846 -1.492) 5.507 7.252 ( 1.579 4.585 -1.790) 5.169 7.459 ( 5.002 -3.624 0.015) 6.177 7.673 ( 1.072 5.903 -3.594) 6.993 7.840 ( 2.271 0.720 -0.249) 2.395 7.860 ( 4.624 -1.953 -0.480) 5.042 8.193 ( 6.412 4.954 -1.358) 8.216 8.300 ( 18.838 -10.702 2.648) 21.827 8.799 ( 15.082 9.431 0.504) 17.795 9.058 ( 28.053 15.866 4.278) 32.511 9.235 ( -15.824 -7.376 3.445) 17.795 9.384 ( -4.932 -7.413 3.881) 9.712 9.489 ( -14.332 -6.346 -8.121) 17.653 9.609 ( -4.654 -2.497 -9.811) 11.142 9.810 ( -9.738 -2.661 3.694) 10.750 10.111 ( 7.986 0.773 -10.034) 12.847 10.333 ( -1.586 4.476 -1.216) 4.902 10.456 ( 4.824 -0.749 2.897) 5.676 10.876 ( 4.644 5.914 -3.099) 8.133 11.289 ( 2.066 6.956 8.832) 11.430 11.446 ( 10.651 2.271 2.660) 11.210 11.808 ( -2.204 -0.542 -0.303) 2.289 11.981 ( 1.416 0.965 -11.431) 11.559 14.625 ( 7.086 -0.464 -6.768) 9.809 14.745 ( 9.497 4.039 -6.816) 12.367 16.087 ( -16.935 -12.043 -0.156) 20.781 16.297 ( 1.591 0.354 3.474) 3.837 16.335 ( 15.782 7.086 0.974) 17.327 16.358 ( 2.919 1.755 3.082) 4.593 16.547 ( 24.667 18.709 -0.130) 30.960 16.603 ( -25.372 -12.500 -7.720) 29.319 16.806 ( -12.166 -5.305 23.458) 26.953 17.292 ( -13.565 -6.217 -1.903) 15.042 18.035 ( -0.625 -8.899 0.346) 8.928 19.190 ( -24.942 39.595 1.317) 46.814 20.437 ( 29.856 -26.292 1.541) 39.812 21.329 ( 8.888 8.063 -4.598) 12.851 21.698 ( -4.031 -4.198 0.041) 5.820 21.762 ( -1.779 -0.718 -0.006) 1.918 ======================= Grid point 93 (23/45) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 16.141 5.539 -6.370) 18.215 1.688 ( -5.222 2.767 -11.029) 12.512 1.833 ( 16.248 -2.878 5.588) 17.422 2.191 ( -10.469 -5.096 2.922) 12.004 2.457 ( -4.956 9.375 -3.288) 11.103 2.596 ( 3.770 9.026 -0.108) 9.782 2.719 ( -2.020 0.513 0.956) 2.292 2.913 ( 1.285 6.503 0.068) 6.629 3.022 ( 0.123 -2.087 5.337) 5.732 3.050 ( 0.346 -5.544 -0.228) 5.560 3.124 ( -0.247 -6.603 0.626) 6.637 3.169 ( 5.722 -4.046 5.205) 8.730 3.448 ( -3.606 -2.092 6.926) 8.084 3.491 ( 5.433 0.610 -0.018) 5.467 3.548 ( -1.015 -2.117 -0.016) 2.348 3.572 ( 1.765 -0.644 -0.619) 1.979 3.692 ( -5.608 -6.123 -2.115) 8.568 3.739 ( -3.408 -5.306 8.367) 10.478 3.836 ( 8.205 -6.840 1.408) 10.774 3.999 ( 3.447 -4.703 -0.549) 5.857 4.107 ( 14.507 6.333 2.787) 16.073 4.166 ( -3.013 0.865 -7.347) 7.988 4.389 ( 2.075 -0.428 2.101) 2.984 4.472 ( 9.249 -0.120 -1.987) 9.461 4.593 ( 13.998 6.060 -8.993) 17.707 4.701 ( 7.485 5.208 -1.399) 9.225 4.769 ( 14.866 -2.129 0.518) 15.026 4.884 ( 2.901 -4.412 -2.953) 6.050 4.929 ( 5.624 5.513 -4.539) 9.090 5.029 ( 10.083 6.760 -4.365) 12.900 5.073 ( 6.118 4.678 -0.046) 7.702 5.205 ( -3.673 2.048 0.894) 4.300 5.620 ( 3.232 2.201 11.312) 11.969 5.697 ( -4.214 3.293 -1.275) 5.498 5.815 ( -2.639 7.370 -4.477) 9.018 5.890 ( -1.705 -0.818 6.508) 6.777 6.017 ( -3.277 -1.836 0.092) 3.757 6.191 ( -15.793 -19.559 2.097) 25.227 6.250 ( -0.340 5.544 -6.108) 8.256 6.404 ( -16.476 -3.521 -0.324) 16.851 6.526 ( 3.494 3.826 0.041) 5.182 6.687 ( 3.448 14.477 -4.908) 15.671 6.884 ( 1.770 6.188 2.777) 7.009 6.975 ( -3.579 14.159 3.311) 14.975 7.094 ( -6.074 12.871 0.886) 14.260 7.205 ( 1.702 9.002 1.162) 9.235 7.241 ( -1.510 9.484 2.068) 9.824 7.512 ( -1.203 3.550 -8.067) 8.896 7.794 ( 12.123 -4.923 4.977) 13.999 7.985 ( 13.207 -3.714 -2.180) 13.892 8.008 ( 11.107 -5.227 -1.026) 12.318 8.395 ( 14.059 1.933 -3.351) 14.582 8.616 ( 10.466 -13.968 2.630) 17.651 8.850 ( -20.146 -7.747 2.638) 21.745 9.004 ( 1.173 1.491 4.661) 5.032 9.143 ( -19.587 -5.381 -5.229) 20.975 9.217 ( 6.221 -3.755 -2.454) 7.669 9.396 ( -14.823 -6.960 -7.765) 18.123 9.618 ( -5.806 -3.306 5.004) 8.348 9.692 ( 12.631 9.064 4.582) 16.208 10.202 ( 5.310 -0.688 4.348) 6.898 10.414 ( 9.243 7.912 -3.571) 12.681 10.566 ( 5.122 6.097 2.505) 8.347 10.941 ( 0.496 7.541 -5.259) 9.207 11.329 ( 3.179 4.293 12.454) 13.551 11.635 ( 8.521 1.347 -0.093) 8.627 11.740 ( -4.683 0.110 0.621) 4.725 11.976 ( -1.844 0.340 -9.615) 9.796 14.803 ( 11.446 -3.490 -6.838) 13.782 14.963 ( 13.175 1.810 -7.863) 15.449 15.750 ( -18.308 -11.405 -7.605) 22.871 15.999 ( -24.360 -5.658 -5.264) 25.556 16.349 ( 2.602 0.430 6.936) 7.420 16.502 ( 5.568 -0.389 0.977) 5.667 16.620 ( -7.912 -2.073 18.987) 20.674 16.773 ( 24.246 6.855 0.045) 25.196 17.046 ( -10.866 -2.876 -2.572) 11.530 17.074 ( 28.173 20.697 -0.160) 34.958 17.929 ( -10.305 -4.082 0.171) 11.085 18.711 ( -25.436 32.075 0.527) 40.940 20.916 ( 20.451 -20.428 1.043) 28.925 21.471 ( 6.293 3.810 -1.262) 7.464 21.601 ( -6.180 -6.963 0.106) 9.311 21.719 ( -2.709 -0.786 -0.033) 2.821 ======================= Grid point 94 (24/45) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 3.393 2.706 -2.105) 4.824 1.790 ( -1.707 0.806 -0.110) 1.891 1.857 ( 1.507 6.665 -5.943) 9.056 2.057 ( -7.205 1.785 -2.428) 7.810 2.418 ( 7.524 5.751 -0.075) 9.471 2.611 ( -8.867 -0.099 2.379) 9.181 2.748 ( 8.216 -3.503 -10.679) 13.922 2.873 ( -4.792 -0.860 -4.843) 6.867 3.040 ( 2.394 -1.869 5.421) 6.214 3.084 ( 1.688 1.195 10.151) 10.359 3.217 ( 8.403 -5.155 -1.864) 10.033 3.267 ( 1.001 -2.174 5.884) 6.352 3.348 ( -4.344 -4.003 11.996) 13.371 3.432 ( 1.208 -3.461 6.297) 7.286 3.445 ( -10.006 -4.491 -3.334) 11.463 3.585 ( -8.155 -6.265 9.076) 13.716 3.731 ( 9.282 -1.934 -7.528) 12.106 3.794 ( 11.075 -1.163 -6.587) 12.938 3.899 ( -6.011 -3.994 -5.789) 9.251 4.017 ( -10.379 0.164 -7.908) 13.049 4.084 ( 12.093 -7.820 -2.237) 14.573 4.345 ( -12.351 -10.904 2.175) 16.618 4.502 ( 8.227 5.381 9.410) 13.608 4.569 ( 22.905 0.753 4.616) 23.377 4.683 ( -6.868 1.697 5.851) 9.181 4.902 ( -2.341 2.409 -0.876) 3.471 4.930 ( 9.211 3.799 -6.069) 11.667 5.009 ( 9.664 -4.663 -0.572) 10.746 5.050 ( 3.555 8.316 -3.638) 9.748 5.121 ( 2.630 3.193 0.422) 4.158 5.176 ( 1.310 6.488 1.890) 6.884 5.201 ( -1.193 6.316 -1.561) 6.614 5.654 ( 3.141 -3.791 -1.851) 5.260 5.685 ( 2.779 -2.166 -2.384) 4.254 5.778 ( -2.979 2.905 -8.207) 9.201 5.845 ( -5.545 3.911 2.448) 7.213 5.967 ( -1.810 -7.711 1.947) 8.156 6.054 ( 3.860 0.311 1.599) 4.190 6.060 ( -6.668 -7.168 0.015) 9.789 6.229 ( -10.308 -2.859 0.410) 10.705 6.629 ( 8.170 16.036 -0.416) 18.002 6.751 ( 4.108 19.031 -2.895) 19.683 6.813 ( -8.576 18.450 0.871) 20.365 6.889 ( -7.675 16.267 -1.459) 18.046 7.042 ( 4.187 7.146 5.439) 9.909 7.150 ( -5.323 5.603 4.539) 8.963 7.303 ( 6.198 9.571 -1.774) 11.540 7.431 ( -6.257 7.119 -4.445) 10.469 8.090 ( 17.533 -6.945 2.270) 18.995 8.258 ( 15.287 -11.903 0.345) 19.378 8.325 ( 19.992 -1.701 -2.346) 20.201 8.448 ( -19.339 -7.406 2.068) 20.812 8.556 ( -13.759 -12.975 2.680) 19.101 8.708 ( 14.141 -1.060 -4.900) 15.003 8.737 ( -18.775 -2.872 -4.195) 19.451 9.029 ( -11.068 -2.416 -4.312) 12.121 9.178 ( 6.119 -8.322 2.505) 10.628 9.406 ( -11.395 -7.399 4.351) 14.266 9.465 ( 13.005 -0.678 -1.101) 13.070 9.702 ( -9.478 1.472 -0.279) 9.595 10.466 ( 14.986 4.740 3.741) 16.157 10.561 ( 3.938 8.040 3.279) 9.534 10.645 ( 5.332 9.898 3.001) 11.636 10.845 ( -10.313 9.451 0.252) 13.991 11.440 ( 7.929 1.553 8.005) 11.373 11.600 ( -7.961 0.095 3.139) 8.558 11.800 ( 6.953 1.485 -3.717) 8.023 11.913 ( -4.678 0.737 -7.000) 8.451 15.061 ( 15.474 -6.634 -6.963) 18.219 15.245 ( 16.171 -0.172 -8.413) 18.230 15.391 ( -18.517 -9.857 -7.941) 22.431 15.583 ( -19.236 -1.969 -7.366) 20.692 16.408 ( 3.626 0.132 10.447) 11.060 16.492 ( -5.287 -0.698 14.763) 15.697 16.643 ( 8.513 -0.919 -0.274) 8.567 16.826 ( -10.482 -2.170 -1.638) 10.829 17.243 ( 23.472 4.554 0.032) 23.910 17.646 ( 29.091 23.529 -0.010) 37.416 17.650 ( -17.621 1.185 0.080) 17.661 18.201 ( -27.840 27.108 0.164) 38.858 21.239 ( 13.698 -15.123 0.516) 20.411 21.455 ( -9.187 -10.598 0.236) 14.027 21.577 ( 4.809 1.063 -0.294) 4.933 21.658 ( -3.656 -0.360 -0.077) 3.675 ======================= Grid point 101 (25/45) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 10.618 10.618 11.830) 19.116 1.609 ( 16.609 16.609 -2.860) 23.662 1.939 ( -4.973 -4.973 -14.793) 16.380 2.003 ( 2.774 2.774 -15.829) 16.308 2.655 ( 1.716 1.716 9.301) 9.612 2.735 ( -0.794 -0.794 4.290) 4.434 2.858 ( 1.694 1.694 7.056) 7.451 2.897 ( 8.518 8.518 7.657) 14.274 2.922 ( -4.153 -4.153 1.713) 6.118 3.050 ( -4.267 -4.267 0.204) 6.038 3.089 ( -2.790 -2.790 -0.431) 3.969 3.181 ( 1.898 1.898 -2.148) 3.438 3.221 ( -1.254 -1.254 -5.521) 5.799 3.461 ( 1.726 1.726 3.122) 3.963 3.490 ( 6.323 6.323 0.030) 8.942 3.617 ( -4.993 -4.993 0.805) 7.107 3.619 ( 0.572 0.572 2.524) 2.651 3.671 ( -8.481 -8.481 -0.414) 12.001 3.705 ( -4.996 -4.996 13.368) 15.120 3.947 ( -3.197 -3.197 3.325) 5.612 4.166 ( 5.907 5.907 -2.856) 8.828 4.183 ( -0.162 -0.162 6.676) 6.680 4.254 ( 1.981 1.981 -15.136) 15.393 4.394 ( 13.276 13.276 -2.932) 19.002 4.431 ( 0.686 0.686 -2.180) 2.386 4.610 ( 22.365 22.365 2.178) 31.704 4.695 ( -0.260 -0.260 -6.737) 6.747 4.905 ( 5.455 5.455 -8.495) 11.475 4.922 ( -4.139 -4.139 -2.788) 6.484 4.977 ( 7.865 7.865 -3.803) 11.754 4.999 ( 9.911 9.911 -7.124) 15.722 5.270 ( -2.338 -2.338 3.558) 4.857 5.632 ( 5.691 5.691 13.866) 16.032 5.785 ( -7.133 -7.133 3.679) 10.737 5.897 ( -0.258 -0.258 6.469) 6.480 5.941 ( 5.406 5.406 -0.571) 7.667 6.048 ( -6.764 -6.764 -2.215) 9.819 6.130 ( -20.352 -20.352 3.124) 28.951 6.365 ( 9.691 9.691 -7.615) 15.678 6.482 ( 6.400 6.400 0.290) 9.055 6.595 ( -9.807 -9.807 1.649) 13.967 6.811 ( 8.903 8.903 -5.435) 13.714 6.949 ( 9.433 9.433 0.547) 13.351 7.158 ( 6.041 6.041 0.809) 8.581 7.244 ( 3.890 3.890 0.353) 5.512 7.313 ( 3.438 3.438 -3.501) 5.991 7.364 ( 10.351 10.351 3.578) 15.069 7.458 ( 2.477 2.477 2.054) 4.061 7.800 ( 3.445 3.445 -7.372) 8.836 7.829 ( 0.611 0.611 0.698) 1.111 7.894 ( 1.540 1.540 -0.364) 2.209 8.186 ( 3.179 3.179 3.876) 5.936 8.246 ( 2.606 2.606 -0.130) 3.688 8.969 ( 7.634 7.634 1.462) 10.894 9.008 ( -15.153 -15.153 1.851) 21.510 9.098 ( -9.952 -9.952 1.847) 14.195 9.299 ( -13.207 -13.207 -6.964) 19.934 9.464 ( -9.962 -9.962 -8.518) 16.463 9.598 ( 23.908 23.908 7.045) 34.538 9.679 ( -9.616 -9.616 5.870) 14.812 10.160 ( -0.745 -0.745 3.426) 3.585 10.400 ( 8.688 8.688 -6.028) 13.685 10.571 ( 9.083 9.083 -2.527) 13.091 10.993 ( 6.046 6.046 -1.195) 8.633 11.412 ( 3.547 3.547 5.867) 7.720 11.522 ( 6.706 6.706 6.376) 11.427 11.787 ( -1.898 -1.898 -0.131) 2.687 11.994 ( 0.161 0.161 -9.597) 9.600 14.652 ( 3.481 3.481 -7.774) 9.201 14.842 ( 6.377 6.377 -6.832) 11.314 15.815 ( -15.578 -15.578 -7.288) 23.205 16.194 ( -18.880 -18.880 -3.878) 26.981 16.324 ( 1.861 1.861 3.961) 4.756 16.442 ( 0.763 0.763 2.183) 2.435 16.611 ( 18.546 18.546 0.018) 26.229 16.685 ( -6.546 -6.546 20.729) 22.703 16.997 ( 27.377 27.377 -0.157) 38.717 17.135 ( -9.276 -9.276 -2.525) 13.359 17.993 ( 0.299 0.299 0.050) 0.426 19.897 ( 0.220 0.220 -0.015) 0.311 19.901 ( 4.567 4.567 1.353) 6.598 21.440 ( 3.960 3.960 -1.063) 5.701 21.591 ( -6.984 -6.984 0.020) 9.877 21.732 ( -2.304 -2.304 0.009) 3.258 ======================= Grid point 102 (26/45) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 12.932 2.132 4.092) 13.730 1.779 ( -5.051 3.603 -5.595) 8.354 1.928 ( 13.237 11.974 -7.896) 19.517 2.087 ( 0.865 -4.379 -4.768) 6.531 2.554 ( -5.516 3.849 1.052) 6.808 2.707 ( -5.792 -0.832 -0.578) 5.880 2.831 ( -7.933 7.911 -7.310) 13.377 2.875 ( -2.227 -7.220 0.821) 7.600 2.917 ( 5.526 -10.745 6.177) 13.570 2.989 ( -2.495 -1.032 -4.823) 5.527 3.033 ( 1.240 -3.106 2.312) 4.066 3.157 ( -0.781 5.002 11.753) 12.797 3.348 ( 4.574 -8.865 -3.243) 10.490 3.447 ( -9.028 -4.716 6.784) 12.238 3.479 ( -1.216 -6.963 -3.219) 7.766 3.506 ( -6.811 -4.500 5.115) 9.634 3.621 ( 5.818 1.062 -0.685) 5.954 3.682 ( -0.263 0.752 5.072) 5.134 3.763 ( 8.619 -0.283 2.094) 8.874 3.888 ( -0.509 -6.210 -1.087) 6.325 4.174 ( -3.895 -0.624 -3.376) 5.192 4.235 ( 6.592 -0.887 5.049) 8.350 4.314 ( 4.349 3.399 1.100) 5.628 4.471 ( -4.132 -6.501 1.554) 7.858 4.568 ( 10.428 -4.518 -0.525) 11.377 4.735 ( 2.093 -0.773 -10.627) 10.859 4.862 ( 6.384 10.443 -5.376) 13.368 4.938 ( 6.934 4.333 -2.530) 8.558 5.117 ( 9.499 11.672 -2.153) 15.202 5.162 ( 3.095 6.351 6.406) 9.536 5.244 ( 15.650 14.033 -0.905) 21.040 5.306 ( 10.311 12.746 -4.914) 17.115 5.580 ( -8.830 -12.116 3.403) 15.374 5.658 ( -6.489 -2.733 1.632) 7.228 5.766 ( -12.800 -20.364 0.332) 24.055 5.852 ( -1.857 -1.407 2.836) 3.670 5.965 ( 2.622 6.310 -1.201) 6.938 6.110 ( 4.807 10.560 5.070) 12.662 6.317 ( -10.706 -0.075 -0.909) 10.745 6.510 ( -0.899 13.954 -1.607) 14.075 6.664 ( 11.790 8.814 -0.924) 14.749 6.991 ( 7.442 16.560 -6.602) 19.319 7.086 ( 4.816 13.551 0.662) 14.396 7.228 ( 0.994 11.526 2.558) 11.848 7.290 ( -0.213 9.054 1.435) 9.169 7.395 ( 2.377 7.492 -0.309) 7.866 7.490 ( 2.591 13.281 2.114) 13.696 7.548 ( 7.257 0.234 -3.308) 7.979 7.776 ( -1.559 4.828 -1.003) 5.171 7.870 ( 4.529 -3.752 -1.297) 6.023 7.981 ( 9.563 -1.395 -1.342) 9.757 8.331 ( 6.275 -12.196 2.118) 13.878 8.382 ( 10.626 -5.329 -0.721) 11.909 8.667 ( -19.243 -10.753 0.835) 22.060 8.893 ( -5.134 -10.397 3.802) 12.203 8.991 ( -17.675 -10.318 -4.733) 21.007 9.128 ( -1.085 -9.318 -1.979) 9.587 9.284 ( -1.590 -0.882 -4.016) 4.409 9.472 ( -11.806 -9.945 5.035) 16.237 9.857 ( -3.264 1.240 2.117) 4.083 10.281 ( 19.046 12.775 6.927) 23.957 10.616 ( 11.247 12.431 -1.234) 16.809 10.733 ( 7.142 10.014 -2.067) 12.472 11.089 ( 2.931 7.230 -2.920) 8.330 11.432 ( 0.220 5.570 9.745) 11.227 11.666 ( 5.299 1.954 3.871) 6.847 11.736 ( -1.714 -0.721 1.052) 2.136 11.980 ( -1.717 -0.083 -7.189) 7.392 14.759 ( 7.712 -0.635 -8.272) 11.327 14.997 ( 9.828 2.183 -7.398) 12.493 15.503 ( -16.575 -13.558 -9.317) 23.353 15.822 ( -18.424 -11.655 -6.416) 22.725 16.365 ( 2.344 1.287 5.547) 6.158 16.502 ( 4.357 0.483 4.119) 6.015 16.570 ( -4.962 -2.857 15.911) 16.910 16.936 ( -5.336 -3.265 -1.393) 6.409 17.029 ( 17.988 14.107 -0.451) 22.864 17.567 ( 31.381 29.266 -0.124) 42.910 17.952 ( -5.599 4.057 0.055) 6.914 19.346 ( -29.097 32.927 0.369) 43.942 20.465 ( 25.628 -25.716 0.363) 36.308 21.428 ( -10.024 -10.956 0.033) 14.849 21.501 ( 2.807 -0.157 -0.074) 2.812 21.678 ( -3.119 -3.170 0.012) 4.447 ======================= Grid point 103 (27/45) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 3.463 4.345 1.256) 5.697 1.794 ( -1.377 0.212 4.055) 4.288 2.016 ( 3.859 7.457 -4.629) 9.588 2.123 ( -0.824 5.373 -4.322) 6.945 2.523 ( 1.943 3.400 -7.588) 8.539 2.608 ( -3.254 -2.004 -4.391) 5.821 2.716 ( -1.973 4.015 -7.731) 8.932 2.783 ( -5.989 -5.638 -4.923) 9.586 2.998 ( 3.957 -3.100 2.418) 5.578 3.060 ( 7.102 -10.481 2.099) 12.833 3.111 ( -2.192 -0.226 9.852) 10.096 3.156 ( 7.239 -9.406 3.557) 12.390 3.254 ( -9.614 -8.746 3.756) 13.529 3.327 ( -9.022 -8.334 7.482) 14.382 3.377 ( 4.233 2.038 7.102) 8.515 3.529 ( -8.253 2.196 9.976) 13.132 3.646 ( 7.786 -5.149 -6.257) 11.238 3.770 ( 0.573 -4.170 -5.766) 7.139 3.824 ( 6.097 -1.253 -3.340) 7.064 3.953 ( 3.533 -2.880 -4.703) 6.550 4.053 ( -6.371 0.136 -8.437) 10.573 4.170 ( -10.509 -6.423 -1.069) 12.362 4.491 ( 9.241 -5.187 10.493) 14.913 4.588 ( 13.539 -6.204 2.527) 15.105 4.691 ( 1.229 3.012 6.705) 7.453 4.826 ( 11.717 -10.410 -0.808) 15.694 4.955 ( -5.837 2.499 1.408) 6.504 5.018 ( 7.713 0.302 -4.044) 8.714 5.108 ( -17.600 -9.218 0.915) 19.889 5.180 ( -5.857 -0.292 -2.028) 6.205 5.265 ( 2.857 5.579 -0.548) 6.292 5.300 ( -0.278 4.995 -0.488) 5.027 5.559 ( 0.365 -3.373 -1.681) 3.787 5.605 ( -3.845 -0.673 -1.118) 4.061 5.834 ( 11.062 10.581 -1.402) 15.371 5.952 ( 8.457 7.940 2.700) 11.910 6.015 ( 0.627 6.888 0.213) 6.920 6.104 ( 8.101 12.705 -4.045) 15.601 6.243 ( -2.510 11.989 1.088) 12.297 6.356 ( -14.945 14.828 -1.008) 21.077 6.912 ( 13.320 13.075 -0.447) 18.670 7.081 ( 1.640 15.587 -2.009) 15.801 7.141 ( -2.152 15.454 -2.349) 15.779 7.189 ( -4.096 15.781 1.080) 16.339 7.258 ( 1.634 13.763 3.966) 14.416 7.355 ( -5.246 13.976 3.756) 15.394 7.526 ( 2.373 12.535 -1.138) 12.808 7.583 ( -2.756 7.886 -4.625) 9.549 7.940 ( 16.472 -8.440 1.326) 18.556 8.026 ( 11.370 -10.390 -1.600) 15.485 8.236 ( 5.546 -10.235 -1.725) 11.769 8.274 ( -7.272 -11.009 0.540) 13.205 8.302 ( -10.755 -8.599 -0.321) 13.774 8.621 ( -10.402 -7.790 -3.098) 13.360 8.640 ( 5.232 -7.156 -2.658) 9.254 8.908 ( -11.235 -9.667 -3.050) 15.132 8.987 ( 8.414 -10.746 3.355) 14.054 9.228 ( -13.296 -10.578 4.468) 17.569 9.450 ( 12.107 -1.033 0.857) 12.182 9.684 ( -11.679 -3.561 1.741) 12.333 10.642 ( 13.988 12.715 0.619) 18.914 10.759 ( 1.256 11.821 0.869) 11.920 10.866 ( 9.068 12.323 2.421) 15.490 11.051 ( -7.353 10.991 -0.249) 13.227 11.479 ( 5.201 2.391 8.670) 10.389 11.602 ( -6.629 0.139 3.814) 7.649 11.828 ( 6.143 1.066 -0.363) 6.245 11.926 ( -3.991 0.378 -4.132) 5.757 14.945 ( 11.529 -5.025 -8.305) 15.071 15.197 ( -13.133 -9.165 -8.520) 18.140 15.219 ( 11.434 -2.538 -8.134) 14.259 15.495 ( -15.746 -6.336 -8.016) 18.771 16.414 ( 2.803 0.505 8.837) 9.284 16.476 ( -3.768 -0.878 12.983) 13.547 16.621 ( 6.882 -1.261 1.250) 7.107 16.770 ( -8.567 -3.467 -0.478) 9.254 17.433 ( 20.116 13.784 0.024) 24.386 17.764 ( -13.878 9.278 0.044) 16.694 18.178 ( 31.838 30.566 -0.028) 44.136 18.776 ( -30.454 31.718 0.141) 43.971 20.890 ( 18.926 -20.837 0.174) 28.150 21.201 ( -13.824 -15.678 0.077) 20.903 21.556 ( 2.989 -2.763 0.066) 4.071 21.616 ( -3.264 -3.594 0.037) 4.855 ======================= Grid point 111 (28/45) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 6.863 6.863 2.968) 10.150 1.798 ( -0.338 -0.338 3.144) 3.180 2.053 ( 0.595 0.595 -3.223) 3.331 2.177 ( 10.754 10.754 -13.335) 20.227 2.599 ( -2.221 -2.221 6.499) 7.218 2.672 ( -5.607 -5.607 -3.453) 8.649 2.734 ( -0.019 -0.019 3.475) 3.475 2.742 ( -5.015 -5.015 -3.082) 7.733 2.886 ( -0.028 -0.028 -6.283) 6.283 2.919 ( -2.961 -2.961 3.041) 5.176 3.083 ( -5.728 -5.728 -5.985) 10.072 3.131 ( 1.715 1.715 -1.318) 2.761 3.245 ( -2.952 -2.952 7.455) 8.544 3.253 ( -10.081 -10.081 0.066) 14.257 3.403 ( -1.027 -1.027 -4.249) 4.490 3.520 ( 0.873 0.873 9.370) 9.451 3.662 ( 3.437 3.437 4.432) 6.578 3.711 ( 0.296 0.296 3.610) 3.634 3.779 ( -5.268 -5.268 -0.855) 7.499 3.822 ( 7.916 7.916 -1.730) 11.328 4.119 ( -5.373 -5.373 0.269) 7.603 4.183 ( 0.372 0.372 5.656) 5.681 4.288 ( -8.261 -8.261 -2.766) 12.006 4.380 ( -2.025 -2.025 -2.622) 3.883 4.573 ( 4.634 4.634 1.789) 6.794 4.761 ( 2.350 2.350 -3.410) 4.762 4.932 ( -2.361 -2.361 -0.252) 3.349 4.994 ( 0.276 0.276 0.645) 0.754 5.230 ( -8.078 -8.078 4.260) 12.192 5.264 ( -16.839 -16.839 0.354) 23.817 5.300 ( 1.405 1.405 -3.292) 3.845 5.313 ( 6.655 6.655 -0.316) 9.417 5.531 ( 3.615 3.615 -0.533) 5.140 5.658 ( -1.440 -1.440 0.150) 2.042 5.783 ( 29.121 29.121 -0.599) 41.188 5.915 ( 6.951 6.951 1.035) 9.885 6.102 ( 7.555 7.555 0.782) 10.713 6.202 ( -0.023 -0.023 -2.999) 2.999 6.385 ( 6.922 6.922 3.194) 10.297 6.768 ( 8.224 8.224 -0.630) 11.648 6.860 ( 13.040 13.040 0.035) 18.441 7.283 ( 10.665 10.665 -5.887) 16.190 7.309 ( 8.014 8.014 -1.720) 11.463 7.430 ( 9.254 9.254 0.213) 13.089 7.445 ( 6.047 6.047 1.844) 8.749 7.463 ( 4.342 4.342 -1.049) 6.229 7.553 ( 2.712 2.712 -0.237) 3.843 7.707 ( 6.799 6.799 1.234) 9.694 7.829 ( -1.049 -1.049 -0.387) 1.533 7.918 ( 1.197 1.197 -7.538) 7.726 7.928 ( -0.008 -0.008 2.489) 2.489 8.126 ( -6.515 -6.515 1.297) 9.304 8.332 ( 1.689 1.689 -0.127) 2.392 8.444 ( -12.746 -12.746 -1.273) 18.070 8.731 ( -3.762 -3.762 4.976) 7.285 8.744 ( -15.209 -15.209 -4.334) 21.942 8.910 ( -11.525 -11.525 -2.940) 16.562 9.257 ( -12.130 -12.130 5.205) 17.926 9.322 ( 3.671 3.671 0.471) 5.213 9.760 ( -8.552 -8.552 3.109) 12.487 10.618 ( 18.399 18.399 1.896) 26.089 10.859 ( 12.210 12.210 2.706) 17.479 10.910 ( 7.784 7.784 -3.721) 11.620 11.204 ( 4.518 4.518 -2.114) 6.730 11.503 ( 1.417 1.417 6.430) 6.735 11.692 ( -2.916 -2.916 2.089) 4.623 11.735 ( 4.210 4.210 8.143) 10.087 11.967 ( -1.466 -1.466 -3.903) 4.420 14.784 ( 3.176 3.176 -9.244) 10.277 15.062 ( 4.860 4.860 -7.430) 10.121 15.250 ( -12.432 -12.432 -9.232) 19.858 15.589 ( -12.145 -12.145 -8.017) 18.955 16.395 ( 1.715 1.715 4.864) 5.435 16.502 ( -1.785 -1.785 13.151) 13.391 16.541 ( 1.398 1.398 5.019) 5.394 16.822 ( -6.556 -6.556 -0.507) 9.285 17.376 ( 19.093 19.093 0.008) 27.002 18.008 ( 0.456 0.456 0.052) 0.646 18.164 ( 32.310 32.310 -0.111) 45.693 19.915 ( 0.607 0.607 -0.016) 0.859 19.975 ( 0.187 0.187 0.405) 0.484 21.182 ( -14.759 -14.759 0.015) 20.872 21.489 ( -0.574 -0.574 0.126) 0.821 21.607 ( -3.969 -3.969 0.009) 5.614 ======================= Grid point 112 (29/45) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 3.540 3.971 3.128) 6.172 1.813 ( 1.273 1.977 5.599) 6.073 2.093 ( 5.000 1.489 1.741) 5.500 2.233 ( -5.864 4.078 -5.632) 9.096 2.542 ( -0.288 0.688 -1.961) 2.098 2.580 ( -2.864 -1.401 -6.034) 6.824 2.692 ( 2.547 -3.970 -5.851) 7.516 2.814 ( -6.513 -3.878 -4.132) 8.633 2.866 ( 7.071 -5.373 1.913) 9.084 2.945 ( 2.891 -2.188 -0.230) 3.633 3.005 ( 2.231 -3.170 0.674) 3.935 3.081 ( -5.780 -5.011 1.346) 7.768 3.109 ( -4.388 0.509 2.279) 4.971 3.155 ( -7.507 -4.219 2.592) 8.993 3.483 ( 5.899 -0.534 -1.357) 6.077 3.532 ( 3.316 2.971 4.021) 5.999 3.639 ( -4.770 3.016 4.421) 7.169 3.689 ( -3.875 -2.199 -2.711) 5.216 3.794 ( 7.841 -2.638 0.841) 8.315 3.939 ( -4.310 -0.280 -2.402) 4.942 4.030 ( 1.286 -1.620 -5.060) 5.467 4.104 ( -5.274 -0.857 -2.158) 5.763 4.331 ( 8.940 -10.009 5.170) 14.382 4.413 ( 7.370 -9.121 -0.210) 11.728 4.549 ( -6.479 -12.027 -0.048) 13.661 4.716 ( -14.562 -16.492 1.244) 22.036 4.839 ( 1.926 -3.050 6.421) 7.366 4.966 ( -10.023 -5.456 4.230) 12.171 5.021 ( 3.934 1.758 1.612) 4.600 5.092 ( -3.275 -1.755 0.436) 3.741 5.423 ( 4.569 8.073 -3.275) 9.837 5.434 ( 3.431 7.446 -0.851) 8.243 5.568 ( 1.613 1.628 0.428) 2.331 5.614 ( -2.821 0.572 0.507) 2.923 6.013 ( 3.623 6.259 -1.859) 7.467 6.087 ( -4.258 3.230 -0.575) 5.375 6.332 ( 25.196 24.709 0.041) 35.290 6.365 ( 10.996 13.975 -2.400) 17.943 6.470 ( 0.433 10.579 0.873) 10.624 6.722 ( -12.824 21.154 -0.101) 24.738 7.137 ( 14.231 9.747 -0.725) 17.264 7.347 ( -3.816 10.435 -1.914) 11.274 7.404 ( 2.671 12.995 -1.461) 13.347 7.468 ( -1.441 11.857 1.534) 12.043 7.528 ( 5.019 12.060 0.709) 13.082 7.591 ( 2.140 9.650 0.055) 9.884 7.679 ( 1.061 2.625 -4.960) 5.711 7.740 ( -2.985 6.706 0.421) 7.353 7.784 ( 5.901 -5.835 0.437) 8.311 7.917 ( 8.837 -1.113 -1.446) 9.024 7.963 ( -7.240 -12.656 -0.054) 14.581 8.126 ( 5.057 -5.960 -3.513) 8.570 8.184 ( -8.357 -4.605 -2.520) 9.869 8.429 ( -15.970 -11.621 -3.661) 20.087 8.478 ( 10.301 -8.740 -1.044) 13.549 8.692 ( -10.611 -11.937 -2.065) 16.104 8.798 ( 8.588 -7.960 5.821) 13.077 9.016 ( -12.675 -11.146 5.581) 17.777 9.423 ( 6.955 -1.591 2.200) 7.466 9.582 ( -9.308 -6.403 3.020) 11.694 10.897 ( 9.636 12.529 -2.490) 16.001 10.983 ( 0.374 10.637 -2.410) 10.913 11.094 ( 10.745 11.089 2.395) 15.626 11.234 ( -2.620 7.457 -2.240) 8.215 11.522 ( 2.122 1.783 7.957) 8.426 11.602 ( -5.430 -0.197 5.226) 7.539 11.835 ( 5.245 -0.178 5.007) 7.253 11.920 ( -3.470 -1.111 0.247) 3.651 14.879 ( 6.630 -1.790 -9.442) 11.675 15.036 ( -9.736 -7.119 -9.183) 15.159 15.187 ( 8.076 -0.762 -7.882) 11.311 15.368 ( -10.655 -6.442 -8.367) 15.002 16.427 ( 1.672 0.886 6.630) 6.895 16.462 ( -1.965 -0.575 10.194) 10.397 16.600 ( 4.329 -0.739 3.353) 5.525 16.700 ( -5.939 -3.687 1.380) 7.125 17.715 ( 15.371 14.308 0.032) 20.999 17.941 ( -7.755 7.719 0.045) 10.942 18.785 ( 32.065 32.110 -0.050) 45.379 19.383 ( -30.245 31.009 0.059) 43.317 20.452 ( 23.755 -24.620 0.078) 34.211 20.860 ( -18.910 -19.822 0.024) 27.396 21.494 ( 1.218 -3.182 0.075) 3.408 21.537 ( -3.163 -4.272 0.023) 5.316 ======================= Grid point 121 (30/45) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 2.024 2.024 5.099) 5.848 1.853 ( 1.381 1.381 7.862) 8.101 2.135 ( 4.305 4.305 0.577) 6.115 2.236 ( -3.811 -3.811 -2.711) 6.033 2.523 ( -2.342 -2.342 1.257) 3.543 2.565 ( -4.581 -4.581 -1.994) 6.779 2.605 ( 2.237 2.237 -4.302) 5.340 2.682 ( -5.680 -5.680 -1.464) 8.165 2.837 ( 2.393 2.393 4.575) 5.691 2.909 ( -3.599 -3.599 5.102) 7.207 2.974 ( -0.213 -0.213 -0.386) 0.489 3.001 ( -2.928 -2.928 0.698) 4.200 3.173 ( 7.728 7.728 -5.444) 12.210 3.266 ( 3.758 3.758 -13.730) 14.722 3.421 ( 1.003 1.003 -6.273) 6.431 3.541 ( -5.620 -5.620 -6.652) 10.365 3.690 ( 2.535 2.535 5.004) 6.156 3.708 ( 0.450 0.450 3.147) 3.211 3.753 ( 1.525 1.525 5.643) 6.041 3.860 ( -6.721 -6.721 2.361) 9.794 4.058 ( 3.803 3.803 -5.214) 7.491 4.108 ( -1.134 -1.134 -3.883) 4.202 4.214 ( 1.086 1.086 3.336) 3.672 4.303 ( -1.767 -1.767 -1.061) 2.715 4.328 ( -9.470 -9.470 0.485) 13.401 4.409 ( -12.318 -12.318 0.347) 17.423 4.793 ( -1.098 -1.098 8.243) 8.388 4.837 ( -5.459 -5.459 6.325) 9.980 5.086 ( 3.011 3.011 3.560) 5.550 5.107 ( 0.714 0.714 3.163) 3.321 5.537 ( 3.437 3.437 -1.645) 5.132 5.543 ( 3.175 3.175 -0.813) 4.564 5.592 ( 0.964 0.964 0.497) 1.450 5.612 ( -0.802 -0.802 0.888) 1.440 6.091 ( 2.286 2.286 -2.633) 4.170 6.113 ( -0.066 -0.066 -2.012) 2.014 6.579 ( 7.122 7.122 -0.804) 10.104 6.612 ( 3.497 3.497 0.128) 4.947 6.805 ( 22.012 22.012 -0.201) 31.130 7.043 ( 4.685 4.685 -0.182) 6.628 7.253 ( 5.778 5.778 -0.321) 8.178 7.421 ( -4.257 -4.257 -1.257) 6.149 7.538 ( 0.875 0.875 -0.404) 1.301 7.590 ( -0.975 -0.975 0.447) 1.449 7.659 ( 3.818 3.818 -1.002) 5.491 7.715 ( 5.124 5.124 -5.424) 9.051 7.715 ( -0.912 -0.912 0.712) 1.473 7.764 ( 3.332 3.332 -4.778) 6.711 7.812 ( 5.702 5.702 -0.957) 8.120 7.887 ( 1.694 1.694 1.064) 2.621 7.927 ( 1.563 1.563 2.555) 3.378 8.076 ( -7.382 -7.382 -1.604) 10.562 8.086 ( 1.395 1.395 -8.944) 9.159 8.210 ( -10.068 -10.068 -6.287) 15.565 8.378 ( 0.541 0.541 0.052) 0.768 8.484 ( -8.986 -8.986 -0.736) 12.729 8.722 ( 0.765 0.765 7.951) 8.024 8.820 ( -8.592 -8.592 7.299) 14.175 9.409 ( 0.805 0.805 3.240) 3.434 9.466 ( -5.001 -5.001 3.556) 7.916 11.085 ( 6.437 6.437 -3.906) 9.906 11.123 ( 2.934 2.934 -4.661) 6.240 11.274 ( 6.725 6.725 -1.168) 9.582 11.322 ( 1.482 1.482 -2.989) 3.650 11.547 ( 1.319 1.319 7.070) 7.312 11.585 ( -1.957 -1.957 5.932) 6.545 11.841 ( 1.352 1.352 9.233) 9.429 11.884 ( -2.515 -2.515 5.734) 6.747 14.875 ( 1.325 1.325 -10.060) 10.234 14.928 ( -4.183 -4.183 -9.848) 11.489 15.197 ( 1.921 1.921 -7.802) 8.261 15.260 ( -4.591 -4.591 -8.093) 10.375 16.444 ( 0.706 0.706 5.419) 5.510 16.453 ( -0.362 -0.362 7.076) 7.094 16.600 ( 0.890 0.890 4.699) 4.865 16.636 ( -2.783 -2.783 3.593) 5.329 17.941 ( 8.525 8.525 0.038) 12.056 18.023 ( 0.231 0.231 0.043) 0.329 19.389 ( 30.568 30.568 -0.045) 43.230 19.935 ( 0.346 0.346 -0.003) 0.489 19.963 ( -0.386 -0.386 0.010) 0.547 20.443 ( -23.735 -23.735 -0.005) 33.566 21.452 ( -0.779 -0.779 0.024) 1.101 21.469 ( -2.432 -2.432 0.005) 3.439 ======================= Grid point 162 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 0.000 -0.000) 0.000 1.181 ( -0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.237 ( -0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 -53.255) 53.255 2.345 ( -0.000 -0.000 53.255) 53.255 3.201 ( 0.000 0.000 -11.806) 11.806 3.201 ( -0.000 0.000 11.806) 11.806 3.290 ( -0.000 0.000 -0.000) 0.000 3.290 ( 0.000 0.000 -0.000) 0.000 3.376 ( 0.000 0.000 -7.614) 7.614 3.376 ( -0.000 0.000 7.614) 7.614 3.415 ( -0.000 0.000 -2.307) 2.307 3.415 ( -0.000 0.000 2.307) 2.307 3.789 ( 0.000 0.000 0.000) 0.000 3.789 ( -0.000 0.000 0.000) 0.000 4.158 ( -0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.190 ( -0.000 0.000 -5.346) 5.346 4.190 ( -0.000 0.000 5.346) 5.346 4.209 ( 0.000 0.000 -0.000) 0.000 4.209 ( 0.000 0.000 -0.000) 0.000 4.218 ( 0.000 0.000 -15.432) 15.432 4.218 ( -0.000 0.000 15.432) 15.432 4.520 ( -0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.537 ( -0.000 -0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.995 ( -0.000 0.000 -8.414) 8.414 4.995 ( -0.000 0.000 8.414) 8.414 5.761 ( 0.000 0.000 -14.508) 14.508 5.761 ( -0.000 0.000 14.508) 14.508 6.152 ( -0.000 0.000 -11.104) 11.104 6.152 ( 0.000 0.000 11.104) 11.104 6.231 ( -0.000 -0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 -0.000 -4.758) 4.758 6.631 ( 0.000 0.000 4.758) 4.758 7.062 ( 0.000 0.000 -12.628) 12.628 7.062 ( 0.000 0.000 12.628) 12.628 7.126 ( 0.000 0.000 0.000) 0.000 7.126 ( -0.000 -0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.805 ( -0.000 0.000 0.000) 0.000 7.848 ( -0.000 -0.000 -0.513) 0.513 7.848 ( 0.000 0.000 0.513) 0.513 8.105 ( -0.000 -0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 -1.930) 1.930 9.707 ( 0.000 0.000 1.930) 1.930 9.926 ( 0.000 0.000 -9.849) 9.849 9.926 ( 0.000 0.000 9.849) 9.849 10.218 ( 0.000 0.000 -1.206) 1.206 10.218 ( 0.000 -0.000 1.206) 1.206 10.681 ( -0.000 -0.000 -4.678) 4.678 10.681 ( 0.000 0.000 4.678) 4.678 11.155 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.815 ( -0.000 0.000 -1.309) 1.309 11.815 ( 0.000 0.000 1.309) 1.309 14.404 ( 0.000 0.000 0.000) 0.000 14.404 ( 0.000 -0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 16.274 ( -0.000 0.000 0.000) 0.000 17.125 ( 0.000 0.000 -15.552) 15.552 17.125 ( 0.000 0.000 15.552) 15.552 17.986 ( -0.000 0.000 0.000) 0.000 17.986 ( -0.000 0.000 0.000) 0.000 19.031 ( 0.000 0.000 -12.793) 12.793 19.031 ( 0.000 0.000 12.793) 12.793 19.901 ( -0.000 -0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 21.797 ( -0.000 0.000 0.000) 0.000 21.797 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 164 (32/45) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 5.464 0.000 -25.553) 26.131 1.270 ( 5.464 0.000 25.553) 26.131 1.396 ( 16.699 0.000 -21.886) 27.529 1.396 ( 16.699 0.000 21.886) 27.529 2.141 ( 23.249 0.000 -1.134) 23.277 2.141 ( 23.249 0.000 1.134) 23.277 2.535 ( 16.567 0.000 -40.388) 43.654 2.535 ( 16.567 0.000 40.388) 43.654 3.194 ( -0.534 0.000 -7.740) 7.758 3.194 ( -0.534 0.000 7.740) 7.758 3.260 ( -3.662 0.000 -1.033) 3.805 3.260 ( -3.662 0.000 1.033) 3.805 3.304 ( -5.068 0.000 -0.010) 5.068 3.304 ( -5.068 0.000 0.010) 5.068 3.404 ( -0.226 0.000 -1.959) 1.972 3.404 ( -0.226 0.000 1.959) 1.972 3.827 ( 4.600 0.000 -1.787) 4.935 3.827 ( 4.600 0.000 1.787) 4.935 4.038 ( -8.434 0.000 -2.980) 8.945 4.038 ( -8.434 0.000 2.980) 8.945 4.071 ( -7.411 0.000 -6.582) 9.912 4.071 ( -7.411 0.000 6.582) 9.912 4.221 ( -0.619 0.000 -14.327) 14.340 4.221 ( -0.619 0.000 14.327) 14.340 4.334 ( 5.683 0.000 -3.975) 6.935 4.334 ( 5.683 0.000 3.975) 6.935 4.537 ( 1.599 0.000 -0.527) 1.684 4.537 ( 1.599 0.000 0.527) 1.684 4.575 ( 5.057 0.000 -3.189) 5.978 4.575 ( 5.057 0.000 3.189) 5.978 5.178 ( 15.924 0.000 -0.361) 15.928 5.178 ( 15.924 0.000 0.361) 15.928 5.535 ( -14.860 0.000 -5.381) 15.804 5.535 ( -14.860 0.000 5.381) 15.804 6.073 ( -6.136 0.000 -8.744) 10.682 6.073 ( -6.136 0.000 8.744) 10.682 6.359 ( 4.817 0.000 -0.132) 4.818 6.359 ( 4.817 0.000 0.132) 4.818 6.477 ( -7.735 0.000 -1.676) 7.915 6.477 ( -7.735 0.000 1.676) 7.915 6.663 ( 7.178 0.000 -0.565) 7.201 6.663 ( 7.178 0.000 0.565) 7.201 7.020 ( -3.848 0.000 -11.203) 11.846 7.020 ( -3.848 0.000 11.203) 11.846 7.158 ( -4.849 0.000 -2.166) 5.311 7.158 ( -4.849 0.000 2.166) 5.311 7.313 ( -4.712 0.000 -4.576) 6.568 7.313 ( -4.712 0.000 4.576) 6.568 7.713 ( 3.574 0.000 -4.414) 5.679 7.713 ( 3.574 0.000 4.414) 5.679 7.846 ( 3.355 0.000 -0.242) 3.364 7.846 ( 3.355 0.000 0.242) 3.364 8.170 ( 20.279 0.000 -1.508) 20.335 8.170 ( 20.279 0.000 1.508) 20.335 8.470 ( 34.480 0.000 -9.555) 35.779 8.470 ( 34.480 0.000 9.555) 35.779 9.643 ( -7.265 0.000 -3.726) 8.165 9.643 ( -7.265 0.000 3.726) 8.165 9.855 ( -7.345 0.000 -10.140) 12.521 9.855 ( -7.345 0.000 10.140) 12.521 10.187 ( -2.145 0.000 -2.272) 3.124 10.187 ( -2.145 0.000 2.272) 3.124 10.667 ( -0.946 0.000 -4.659) 4.754 10.667 ( -0.946 0.000 4.659) 4.754 11.236 ( 7.301 0.000 -1.839) 7.529 11.236 ( 7.301 0.000 1.839) 7.529 11.824 ( 0.723 0.000 -0.005) 0.723 11.824 ( 0.723 0.000 0.005) 0.723 14.450 ( 4.757 0.000 -0.090) 4.758 14.450 ( 4.757 0.000 0.090) 4.758 15.969 ( 12.512 0.000 -0.000) 12.512 15.969 ( 12.512 0.000 0.000) 12.512 16.293 ( 1.773 0.000 -0.360) 1.810 16.293 ( 1.773 0.000 0.360) 1.810 16.957 ( -18.198 0.000 -14.375) 23.190 16.957 ( -18.198 0.000 14.375) 23.190 17.653 ( -26.915 0.000 -3.776) 27.178 17.653 ( -26.915 0.000 3.776) 27.178 18.727 ( -15.440 0.000 -0.006) 15.440 18.727 ( -15.440 0.000 0.006) 15.440 20.419 ( 33.558 0.000 -6.722) 34.225 20.419 ( 33.558 0.000 6.722) 34.225 21.786 ( -1.111 0.000 -0.014) 1.112 21.786 ( -1.111 0.000 0.014) 1.112 ======================= Grid point 166 (33/45) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 3.680 0.000 -20.331) 20.661 1.356 ( 3.680 0.000 20.331) 20.661 1.786 ( 21.856 0.000 -18.825) 28.846 1.786 ( 21.856 0.000 18.825) 28.846 2.591 ( 18.757 0.000 -0.088) 18.758 2.591 ( 18.757 0.000 0.088) 18.758 2.688 ( -7.083 0.000 -8.929) 11.397 2.688 ( -7.083 0.000 8.929) 11.397 3.159 ( -2.158 0.000 -2.366) 3.202 3.159 ( -2.158 0.000 2.366) 3.202 3.209 ( -2.038 0.000 -1.010) 2.274 3.209 ( -2.038 0.000 1.010) 2.274 3.290 ( 4.889 0.000 -11.870) 12.837 3.290 ( 4.889 0.000 11.870) 12.837 3.530 ( 18.141 0.000 -12.015) 21.759 3.530 ( 18.141 0.000 12.015) 21.759 3.866 ( -8.646 0.000 -3.685) 9.399 3.866 ( -8.646 0.000 3.685) 9.399 3.941 ( -2.283 0.000 -8.494) 8.795 3.941 ( -2.283 0.000 8.494) 8.795 3.998 ( 7.599 0.000 -3.516) 8.373 3.998 ( 7.599 0.000 3.516) 8.373 4.171 ( -2.978 0.000 -17.799) 18.047 4.171 ( -2.978 0.000 17.799) 18.047 4.409 ( 4.099 0.000 -10.049) 10.853 4.409 ( 4.099 0.000 10.049) 10.853 4.650 ( 10.529 0.000 -4.245) 11.352 4.650 ( 10.529 0.000 4.245) 11.352 4.720 ( 9.182 0.000 -6.001) 10.970 4.720 ( 9.182 0.000 6.001) 10.970 5.267 ( -10.148 0.000 -7.654) 12.711 5.267 ( -10.148 0.000 7.654) 12.711 5.517 ( 13.754 0.000 -1.853) 13.878 5.517 ( 13.754 0.000 1.853) 13.878 5.957 ( -5.289 0.000 -7.390) 9.088 5.957 ( -5.289 0.000 7.390) 9.088 6.197 ( -14.141 0.000 -1.153) 14.188 6.197 ( -14.141 0.000 1.153) 14.188 6.477 ( 1.399 0.000 -0.963) 1.699 6.477 ( 1.399 0.000 0.963) 1.699 6.745 ( -3.813 0.000 -4.905) 6.213 6.745 ( -3.813 0.000 4.905) 6.213 6.940 ( -2.850 0.000 -7.602) 8.118 6.940 ( -2.850 0.000 7.602) 8.118 7.000 ( -5.462 0.000 -0.043) 5.462 7.000 ( -5.462 0.000 0.043) 5.462 7.302 ( 0.635 0.000 -8.973) 8.995 7.302 ( 0.635 0.000 8.973) 8.995 7.797 ( 5.446 0.000 -5.402) 7.671 7.797 ( 5.446 0.000 5.402) 7.671 7.947 ( 8.504 0.000 -0.028) 8.505 7.947 ( 8.504 0.000 0.028) 8.505 8.574 ( 20.307 0.000 -2.004) 20.406 8.574 ( 20.307 0.000 2.004) 20.406 9.143 ( 27.859 0.000 -17.060) 32.668 9.143 ( 27.859 0.000 17.060) 32.668 9.417 ( -15.185 0.000 -6.419) 16.486 9.417 ( -15.185 0.000 6.419) 16.486 9.680 ( -8.466 0.000 -9.866) 13.000 9.680 ( -8.466 0.000 9.866) 13.000 10.162 ( -0.188 0.000 -1.929) 1.938 10.162 ( -0.188 0.000 1.929) 1.938 10.665 ( 0.928 0.000 -5.772) 5.846 10.665 ( 0.928 0.000 5.772) 5.846 11.389 ( 7.858 0.000 -5.377) 9.521 11.389 ( 7.858 0.000 5.377) 9.521 11.828 ( -0.602 0.000 -2.489) 2.561 11.828 ( -0.602 0.000 2.489) 2.561 14.585 ( 9.289 0.000 -0.466) 9.301 14.585 ( 9.289 0.000 0.466) 9.301 16.299 ( 10.271 0.000 -0.700) 10.295 16.299 ( 10.271 0.000 0.700) 10.295 16.317 ( 6.398 0.000 -2.216) 6.771 16.317 ( 6.398 0.000 2.216) 6.771 16.503 ( -20.073 0.000 -9.596) 22.248 16.503 ( -20.073 0.000 9.596) 22.248 17.228 ( -16.954 0.000 -11.270) 20.359 17.228 ( -16.954 0.000 11.270) 20.359 18.475 ( -13.082 0.000 -0.175) 13.083 18.475 ( -13.082 0.000 0.175) 13.083 20.947 ( 21.508 0.000 -6.740) 22.539 20.947 ( 21.508 0.000 6.740) 22.539 21.754 ( -2.262 0.000 -0.088) 2.263 21.754 ( -2.262 0.000 0.088) 2.263 ======================= Grid point 168 (34/45) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 5.306 0.000 -6.508) 8.397 1.432 ( 5.306 0.000 6.508) 8.397 2.162 ( 12.420 0.000 -12.325) 17.497 2.162 ( 12.420 0.000 12.325) 17.497 2.395 ( -14.761 0.000 -3.189) 15.102 2.395 ( -14.761 0.000 3.189) 15.102 2.781 ( 2.811 0.000 -4.177) 5.034 2.781 ( 2.811 0.000 4.177) 5.034 3.126 ( -2.139 0.000 -0.068) 2.140 3.126 ( -2.139 0.000 0.068) 2.140 3.240 ( 6.183 0.000 -13.585) 14.926 3.240 ( 6.183 0.000 13.585) 14.926 3.438 ( 9.675 0.000 -9.636) 13.655 3.438 ( 9.675 0.000 9.636) 13.655 3.654 ( -11.230 0.000 -5.787) 12.633 3.654 ( -11.230 0.000 5.787) 12.633 3.813 ( -1.648 0.000 -17.154) 17.233 3.813 ( -1.648 0.000 17.154) 17.233 3.956 ( 0.524 0.000 -8.337) 8.353 3.956 ( 0.524 0.000 8.337) 8.353 4.131 ( 9.541 0.000 -9.280) 13.310 4.131 ( 9.541 0.000 9.280) 13.310 4.263 ( 18.557 0.000 -10.627) 21.384 4.263 ( 18.557 0.000 10.627) 21.384 4.587 ( 11.325 0.000 -3.398) 11.823 4.587 ( 11.325 0.000 3.398) 11.823 4.884 ( 6.338 0.000 -2.718) 6.896 4.884 ( 6.338 0.000 2.718) 6.896 4.894 ( 13.079 0.000 -1.758) 13.197 4.894 ( 13.079 0.000 1.758) 13.197 5.102 ( -5.102 0.000 -4.302) 6.674 5.102 ( -5.102 0.000 4.302) 6.674 5.613 ( -4.948 0.000 -0.810) 5.014 5.613 ( -4.948 0.000 0.810) 5.014 5.935 ( -6.249 0.000 -5.430) 8.278 5.935 ( -6.249 0.000 5.430) 8.278 5.996 ( 5.251 0.000 -3.247) 6.173 5.996 ( 5.251 0.000 3.247) 6.173 6.444 ( -5.480 0.000 -0.014) 5.480 6.444 ( -5.480 0.000 0.014) 5.480 6.571 ( -10.018 0.000 -4.698) 11.065 6.571 ( -10.018 0.000 4.698) 11.065 6.799 ( -10.779 0.000 -4.543) 11.697 6.799 ( -10.779 0.000 4.543) 11.697 7.020 ( 3.573 0.000 -5.268) 6.365 7.020 ( 3.573 0.000 5.268) 6.365 7.300 ( -1.455 0.000 -8.237) 8.365 7.300 ( -1.455 0.000 8.237) 8.365 7.958 ( 11.959 0.000 -2.526) 12.223 7.958 ( 11.959 0.000 2.526) 12.223 8.184 ( 15.650 0.000 -2.516) 15.851 8.184 ( 15.650 0.000 2.516) 15.851 8.914 ( 12.608 0.000 -0.240) 12.610 8.914 ( 12.608 0.000 0.240) 12.610 9.036 ( -20.167 0.000 -6.283) 21.123 9.036 ( -20.167 0.000 6.283) 21.123 9.306 ( -7.697 0.000 -5.428) 9.418 9.306 ( -7.697 0.000 5.428) 9.418 9.695 ( 3.120 0.000 -3.226) 4.488 9.695 ( 3.120 0.000 3.226) 4.488 10.245 ( 11.174 0.000 -3.117) 11.600 10.245 ( 11.174 0.000 3.117) 11.600 10.692 ( 1.151 0.000 -6.995) 7.089 10.692 ( 1.151 0.000 6.995) 7.089 11.521 ( 5.904 0.000 -8.759) 10.563 11.521 ( 5.904 0.000 8.759) 10.563 11.794 ( -3.004 0.000 -5.546) 6.308 11.794 ( -3.004 0.000 5.546) 6.308 14.804 ( 13.475 0.000 -0.735) 13.495 14.804 ( 13.475 0.000 0.735) 13.495 15.902 ( -24.732 0.000 -4.004) 25.054 15.902 ( -24.732 0.000 4.004) 25.054 16.471 ( 4.967 0.000 -3.889) 6.308 16.471 ( 4.967 0.000 3.889) 6.308 16.782 ( 26.741 0.000 -0.016) 26.741 16.782 ( 26.741 0.000 0.016) 26.741 16.955 ( -12.237 0.000 -10.587) 16.181 16.955 ( -12.237 0.000 10.587) 16.181 18.182 ( -17.892 0.000 -0.150) 17.892 18.182 ( -17.892 0.000 0.150) 17.892 21.273 ( 13.303 0.000 -3.283) 13.702 21.273 ( 13.303 0.000 3.283) 13.702 21.698 ( -3.622 0.000 -0.226) 3.629 21.698 ( -3.622 0.000 0.226) 3.629 ======================= Grid point 170 (35/45) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 12.768 0.000 -3.504) 13.240 1.599 ( 12.768 0.000 3.504) 13.240 1.920 ( -19.860 0.000 -5.642) 20.645 1.920 ( -19.860 0.000 5.642) 20.645 2.541 ( 13.349 0.000 -10.959) 17.271 2.541 ( 13.349 0.000 10.959) 17.271 2.741 ( -6.919 0.000 -7.437) 10.158 2.741 ( -6.919 0.000 7.437) 10.158 3.158 ( 6.496 0.000 -4.647) 7.987 3.158 ( 6.496 0.000 4.647) 7.987 3.320 ( -5.515 0.000 -10.862) 12.182 3.320 ( -5.515 0.000 10.862) 12.182 3.474 ( 4.249 0.000 -12.396) 13.104 3.474 ( 4.249 0.000 12.396) 13.104 3.654 ( -7.730 0.000 -15.215) 17.066 3.654 ( -7.730 0.000 15.215) 17.066 3.680 ( 7.213 0.000 -9.033) 11.560 3.680 ( 7.213 0.000 9.033) 11.560 3.860 ( -8.243 0.000 -8.464) 11.815 3.860 ( -8.243 0.000 8.464) 11.815 4.369 ( 14.220 0.000 -3.676) 14.688 4.369 ( 14.220 0.000 3.676) 14.688 4.618 ( -8.603 0.000 -0.140) 8.605 4.618 ( -8.603 0.000 0.140) 8.605 4.706 ( 20.004 0.000 -6.615) 21.069 4.706 ( 20.004 0.000 6.615) 21.069 4.924 ( -0.864 0.000 -0.931) 1.270 4.924 ( -0.864 0.000 0.931) 1.270 5.069 ( 3.552 0.000 -0.262) 3.562 5.069 ( 3.552 0.000 0.262) 3.562 5.091 ( -0.919 0.000 -0.094) 0.924 5.091 ( -0.919 0.000 0.094) 0.924 5.585 ( 6.428 0.000 -0.047) 6.429 5.585 ( 6.428 0.000 0.047) 6.429 5.764 ( -9.484 0.000 -0.108) 9.484 5.764 ( -9.484 0.000 0.108) 9.484 6.195 ( 9.536 0.000 -7.282) 11.998 6.195 ( 9.536 0.000 7.282) 11.998 6.357 ( -3.503 0.000 -2.344) 4.215 6.357 ( -3.503 0.000 2.344) 4.215 6.389 ( -4.121 0.000 -4.235) 5.910 6.389 ( -4.121 0.000 4.235) 5.910 6.563 ( -12.999 0.000 -3.610) 13.491 6.563 ( -12.999 0.000 3.610) 13.491 7.115 ( 6.240 0.000 -4.913) 7.942 7.115 ( 6.240 0.000 4.913) 7.942 7.233 ( -5.342 0.000 -6.076) 8.090 7.233 ( -5.342 0.000 6.076) 8.090 8.251 ( 18.050 0.000 -3.257) 18.341 8.251 ( 18.050 0.000 3.257) 18.341 8.518 ( 18.504 0.000 -5.932) 19.432 8.518 ( 18.504 0.000 5.932) 19.432 8.629 ( -20.895 0.000 -5.335) 21.565 8.629 ( -20.895 0.000 5.335) 21.565 8.861 ( -15.662 0.000 -7.339) 17.296 8.861 ( -15.662 0.000 7.339) 17.296 9.369 ( 12.649 0.000 -4.536) 13.438 9.369 ( 12.649 0.000 4.536) 13.438 9.605 ( -10.221 0.000 -3.741) 10.884 9.605 ( -10.221 0.000 3.741) 10.884 10.508 ( 12.596 0.000 -0.259) 12.598 10.508 ( 12.596 0.000 0.259) 12.598 10.671 ( -4.304 0.000 -4.798) 6.446 10.671 ( -4.304 0.000 4.798) 6.446 11.624 ( 5.040 0.000 -10.226) 11.400 11.624 ( 5.040 0.000 10.226) 11.400 11.718 ( -4.693 0.000 -8.629) 9.823 11.718 ( -4.693 0.000 8.629) 9.823 15.099 ( 17.257 0.000 -0.340) 17.260 15.099 ( 17.257 0.000 0.340) 17.260 15.465 ( -20.884 0.000 -0.271) 20.885 15.465 ( -20.884 0.000 0.271) 20.885 16.589 ( 7.223 0.000 -5.990) 9.384 16.589 ( 7.223 0.000 5.990) 9.384 16.748 ( -9.434 0.000 -8.456) 12.669 16.748 ( -9.434 0.000 8.456) 12.669 17.302 ( 26.797 0.000 -0.041) 26.797 17.302 ( 26.797 0.000 0.041) 26.797 17.786 ( -23.268 0.000 -0.088) 23.269 17.786 ( -23.268 0.000 0.088) 23.269 21.479 ( 8.518 0.000 -1.281) 8.614 21.479 ( 8.518 0.000 1.281) 8.614 21.611 ( -5.543 0.000 -0.507) 5.566 21.611 ( -5.543 0.000 0.507) 5.566 ======================= Grid point 182 (36/45) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 8.313 8.313 -0.000) 11.756 1.383 ( 6.062 6.062 0.000) 8.573 1.421 ( 7.758 7.758 0.000) 10.972 1.449 ( 6.359 6.359 0.000) 8.993 2.332 ( 17.483 17.483 0.000) 24.725 2.368 ( 20.319 20.319 0.000) 28.735 2.719 ( 14.421 14.421 -0.000) 20.394 2.730 ( 15.830 15.830 0.000) 22.387 3.122 ( -3.646 -3.646 0.000) 5.156 3.188 ( -4.375 -4.375 0.000) 6.187 3.217 ( -1.248 -1.248 -0.000) 1.765 3.249 ( -2.132 -2.132 -0.000) 3.015 3.282 ( -1.211 -1.211 -0.000) 1.713 3.304 ( -0.782 -0.782 0.000) 1.106 3.377 ( 0.127 0.127 -0.000) 0.179 3.395 ( -0.156 -0.156 0.000) 0.220 3.808 ( -3.454 -3.454 0.000) 4.885 3.882 ( 5.148 5.148 0.000) 7.280 3.925 ( -2.281 -2.281 0.000) 3.226 3.966 ( -7.312 -7.312 0.000) 10.340 3.987 ( -5.002 -5.002 0.000) 7.075 4.049 ( -4.420 -4.420 0.000) 6.251 4.200 ( -4.256 -4.256 -0.000) 6.019 4.267 ( 2.857 2.857 0.000) 4.040 4.315 ( 2.331 2.331 0.000) 3.297 4.416 ( 3.170 3.170 0.000) 4.483 4.521 ( -0.515 -0.515 0.000) 0.728 4.575 ( 5.260 5.260 -0.000) 7.439 4.602 ( 3.130 3.130 0.000) 4.427 4.605 ( 3.785 3.785 0.000) 5.353 5.342 ( 15.705 15.705 0.000) 22.210 5.346 ( -5.797 -5.797 -0.000) 8.199 5.410 ( 12.353 12.353 0.000) 17.469 5.518 ( -7.310 -7.310 -0.000) 10.339 5.978 ( -4.946 -4.946 0.000) 6.995 6.110 ( -1.494 -1.494 0.000) 2.113 6.306 ( 3.566 3.566 0.000) 5.043 6.349 ( -11.616 -11.616 -0.000) 16.428 6.359 ( -8.744 -8.744 0.000) 12.366 6.510 ( 3.146 3.146 0.000) 4.450 6.657 ( 5.736 5.736 0.000) 8.112 6.825 ( -11.866 -11.866 0.000) 16.781 6.836 ( 9.367 9.367 0.000) 13.247 7.114 ( 2.649 2.649 0.000) 3.747 7.153 ( -0.135 -0.135 -0.000) 0.191 7.157 ( -9.319 -9.319 0.000) 13.180 7.164 ( 1.719 1.719 0.000) 2.432 7.402 ( 1.555 1.555 0.000) 2.200 7.610 ( 0.775 0.775 0.000) 1.096 7.816 ( 0.539 0.539 0.000) 0.762 7.822 ( 1.159 1.159 0.000) 1.639 8.042 ( 5.590 5.590 0.000) 7.906 8.148 ( 2.083 2.083 0.000) 2.945 8.468 ( 25.996 25.996 0.000) 36.763 8.536 ( 24.060 24.060 0.000) 34.026 8.902 ( 26.279 26.279 0.000) 37.164 9.561 ( -9.055 -9.055 -0.000) 12.806 9.577 ( -6.713 -6.713 0.000) 9.493 9.769 ( -7.687 -7.687 -0.000) 10.872 9.824 ( -3.716 -3.716 0.000) 5.255 10.068 ( -6.807 -6.807 0.000) 9.627 10.268 ( 4.196 4.196 0.000) 5.934 10.553 ( -5.727 -5.727 0.000) 8.099 10.763 ( 4.336 4.336 0.000) 6.132 11.293 ( 5.603 5.603 0.000) 7.924 11.315 ( 7.027 7.027 0.000) 9.938 11.817 ( -0.130 -0.130 -0.000) 0.183 11.844 ( 1.069 1.069 0.000) 1.512 14.451 ( 2.178 2.178 0.000) 3.080 14.521 ( 5.414 5.414 0.000) 7.656 16.041 ( 10.232 10.232 0.000) 14.470 16.151 ( 15.635 15.635 0.000) 22.111 16.302 ( 1.382 1.382 0.000) 1.954 16.307 ( 0.301 0.301 0.000) 0.426 16.669 ( -21.195 -21.195 0.000) 29.974 16.882 ( -13.991 -13.991 -0.000) 19.787 17.375 ( -12.935 -12.935 0.000) 18.292 17.702 ( -31.039 -31.039 0.000) 43.895 17.987 ( 0.075 0.075 0.000) 0.106 19.595 ( 13.921 13.921 0.000) 19.687 19.897 ( -0.131 -0.131 0.000) 0.186 20.951 ( 22.074 22.074 0.000) 31.218 21.758 ( -2.263 -2.263 0.000) 3.201 21.786 ( -0.676 -0.676 0.000) 0.956 ======================= Grid point 184 (37/45) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 2.202 7.697 -0.000) 8.005 1.452 ( 2.769 9.165 0.000) 9.574 1.716 ( 17.700 -5.247 -0.000) 18.461 1.728 ( 19.210 -3.889 0.000) 19.600 2.645 ( 9.490 6.429 0.000) 11.463 2.729 ( 11.338 10.303 -0.000) 15.320 2.783 ( -7.958 5.422 0.000) 9.629 2.845 ( -6.283 11.336 -0.000) 12.961 3.073 ( -2.724 -7.495 0.000) 7.975 3.123 ( -1.736 -1.907 0.000) 2.578 3.170 ( -2.409 -5.576 0.000) 6.074 3.219 ( 1.243 1.159 -0.000) 1.700 3.305 ( 4.125 2.827 -0.000) 5.000 3.330 ( 1.291 5.028 0.000) 5.191 3.554 ( 20.146 1.920 -0.000) 20.237 3.561 ( 20.397 -0.371 0.000) 20.401 3.754 ( 1.472 -5.656 0.000) 5.844 3.795 ( -9.893 -6.984 0.000) 12.110 3.802 ( -9.468 -7.058 -0.000) 11.809 3.968 ( -2.143 -1.073 -0.000) 2.397 4.008 ( 6.694 3.911 0.000) 7.753 4.081 ( -6.578 -3.468 -0.000) 7.436 4.126 ( 9.802 11.225 0.000) 14.902 4.280 ( 2.418 4.302 0.000) 4.935 4.412 ( 7.116 -4.138 0.000) 8.231 4.494 ( 7.516 8.454 0.000) 11.312 4.555 ( 5.292 -6.350 0.000) 8.266 4.620 ( 4.563 6.617 0.000) 8.038 4.766 ( 12.637 5.749 -0.000) 13.883 4.786 ( 10.875 1.028 0.000) 10.924 5.133 ( -12.480 -9.562 0.000) 15.722 5.356 ( -7.845 0.997 0.000) 7.908 5.648 ( 12.757 14.148 -0.000) 19.050 5.718 ( 13.479 14.425 0.000) 19.743 5.882 ( -5.508 -0.666 0.000) 5.548 6.053 ( -2.646 4.065 -0.000) 4.850 6.069 ( -13.818 -8.438 0.000) 16.191 6.164 ( -9.533 -5.414 0.000) 10.963 6.432 ( 6.414 -0.794 0.000) 6.463 6.538 ( -8.935 -7.662 0.000) 11.770 6.577 ( -4.268 -4.680 0.000) 6.333 6.736 ( -7.621 3.408 0.000) 8.348 6.904 ( -5.994 -5.009 0.000) 7.812 6.993 ( 5.675 10.013 0.000) 11.509 7.142 ( -0.060 7.970 0.000) 7.970 7.185 ( 2.501 12.259 0.000) 12.512 7.251 ( 5.238 -0.726 -0.000) 5.288 7.431 ( -2.779 6.242 0.000) 6.833 7.642 ( 8.562 -3.545 0.000) 9.267 7.827 ( 1.204 0.822 0.000) 1.458 7.858 ( 3.671 -0.182 0.000) 3.676 8.178 ( 4.876 7.108 0.000) 8.619 8.331 ( 18.919 -11.050 0.000) 21.909 8.806 ( 16.025 10.344 0.000) 19.073 9.209 ( 27.366 12.829 0.000) 30.224 9.253 ( 3.085 1.104 0.000) 3.277 9.302 ( -14.319 -8.796 -0.000) 16.805 9.387 ( -12.395 -5.738 0.000) 13.659 9.593 ( -8.114 -5.851 0.000) 10.004 9.782 ( -0.554 8.823 0.000) 8.840 10.004 ( 5.390 -6.073 0.000) 8.120 10.316 ( -1.325 7.191 0.000) 7.312 10.501 ( 2.504 -6.881 0.000) 7.323 10.838 ( 3.432 8.499 0.000) 9.166 11.412 ( 6.078 3.215 0.000) 6.876 11.467 ( 7.965 6.294 0.000) 10.152 11.809 ( -1.039 -0.842 -0.000) 1.337 11.854 ( -0.235 1.290 0.000) 1.311 14.537 ( 6.871 -1.182 0.000) 6.972 14.659 ( 8.985 4.219 0.000) 9.926 16.117 ( -22.141 -17.023 0.000) 27.929 16.327 ( 3.937 3.017 0.000) 4.960 16.343 ( 14.344 6.182 0.000) 15.619 16.435 ( 0.721 0.259 0.000) 0.766 16.468 ( -22.329 -10.223 -0.000) 24.558 16.545 ( 24.758 18.707 0.000) 31.031 17.142 ( -11.595 -5.873 -0.000) 12.997 17.195 ( -18.333 -7.144 0.000) 19.676 18.039 ( -0.759 -9.596 0.000) 9.626 19.206 ( -25.697 39.172 0.000) 46.849 20.458 ( 29.753 -28.025 0.000) 40.873 21.271 ( 12.299 11.899 0.000) 17.113 21.698 ( -4.001 -4.234 0.000) 5.826 21.762 ( -1.797 -0.688 0.000) 1.925 ======================= Grid point 186 (38/45) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.817 6.208 0.000) 7.857 1.517 ( 4.932 7.842 0.000) 9.264 1.991 ( 7.127 -8.967 0.000) 11.454 2.098 ( 17.278 -7.985 0.000) 19.034 2.440 ( -19.101 7.922 0.000) 20.679 2.587 ( -10.286 9.540 0.000) 14.029 2.751 ( -0.818 -0.933 0.000) 1.241 2.851 ( -0.969 2.393 0.000) 2.582 3.037 ( 0.772 -6.185 0.000) 6.233 3.097 ( -1.624 -4.130 0.000) 4.438 3.244 ( 8.574 -2.333 -0.000) 8.886 3.310 ( 6.758 6.252 0.000) 9.206 3.366 ( 3.524 -1.734 0.000) 3.928 3.443 ( 9.040 -2.996 0.000) 9.523 3.587 ( -10.602 -4.995 0.000) 11.719 3.609 ( -9.746 -5.347 -0.000) 11.116 3.782 ( -1.110 -3.116 -0.000) 3.308 3.828 ( 9.123 -10.735 0.000) 14.088 3.879 ( -6.147 1.739 0.000) 6.388 3.928 ( -6.104 -2.599 0.000) 6.635 3.985 ( 0.680 -1.786 0.000) 1.911 4.222 ( 22.223 4.565 0.000) 22.687 4.318 ( 20.577 8.645 -0.000) 22.320 4.441 ( 9.730 10.937 -0.000) 14.639 4.536 ( 2.055 -7.500 0.000) 7.777 4.671 ( 7.455 -3.685 -0.000) 8.316 4.788 ( 16.794 10.325 0.000) 19.714 4.820 ( 12.256 -0.319 0.000) 12.260 4.915 ( -4.213 -4.618 0.000) 6.251 5.002 ( 9.644 2.383 -0.000) 9.934 5.025 ( 14.008 6.746 0.000) 15.548 5.237 ( -4.300 4.209 0.000) 6.017 5.698 ( -6.231 6.832 0.000) 9.247 5.728 ( -8.435 6.215 0.000) 10.478 5.773 ( -6.052 -5.090 0.000) 7.908 5.991 ( -4.135 -3.701 -0.000) 5.549 6.025 ( 5.909 7.730 0.000) 9.730 6.126 ( 2.915 8.526 0.000) 9.011 6.226 ( -16.476 -22.449 0.000) 27.847 6.397 ( -16.564 -1.592 0.000) 16.641 6.528 ( 2.616 2.517 0.000) 3.630 6.627 ( 3.308 12.210 0.000) 12.650 6.907 ( -0.655 6.488 0.000) 6.521 7.013 ( -4.038 13.597 0.000) 14.184 7.116 ( -2.325 11.324 0.000) 11.560 7.210 ( 1.325 14.235 0.000) 14.297 7.342 ( -5.444 7.127 -0.000) 8.969 7.350 ( 3.744 2.683 0.000) 4.606 7.896 ( 7.124 -2.998 0.000) 7.729 7.906 ( 17.338 -11.338 0.000) 20.716 8.003 ( 11.660 -1.642 0.000) 11.775 8.355 ( 12.937 4.350 0.000) 13.649 8.647 ( 10.788 -14.666 0.000) 18.207 8.896 ( -20.795 -9.843 -0.000) 23.007 9.047 ( -17.334 -3.049 0.000) 17.600 9.115 ( 12.295 7.921 -0.000) 14.626 9.176 ( -8.490 -9.688 0.000) 12.882 9.280 ( -10.584 -6.343 0.000) 12.339 9.676 ( -9.139 -4.557 0.000) 10.212 9.752 ( 9.086 7.850 0.000) 12.007 10.306 ( 5.281 2.397 -0.000) 5.799 10.316 ( 20.320 10.123 0.000) 22.702 10.599 ( 5.114 0.527 0.000) 5.141 10.884 ( 0.822 10.396 0.000) 10.428 11.513 ( 4.518 1.119 0.000) 4.655 11.601 ( 5.930 5.793 0.000) 8.290 11.770 ( -3.139 -0.918 -0.000) 3.270 11.830 ( -2.228 2.052 0.000) 3.029 14.713 ( 11.393 -4.459 0.000) 12.235 14.868 ( 12.824 2.228 0.000) 13.016 15.683 ( -21.712 -14.092 0.000) 25.884 15.930 ( -24.375 -4.848 0.000) 24.852 16.443 ( 4.985 -1.234 0.000) 5.136 16.502 ( 4.901 1.765 0.000) 5.209 16.773 ( 23.920 6.662 0.000) 24.831 16.918 ( -11.534 -3.503 -0.000) 12.054 16.931 ( -10.116 -2.385 0.000) 10.394 17.072 ( 29.255 21.284 0.000) 36.178 17.931 ( -10.395 -4.284 0.000) 11.244 18.717 ( -25.780 32.062 0.000) 41.141 20.929 ( 20.006 -21.536 0.000) 29.394 21.455 ( 7.480 5.332 0.000) 9.186 21.602 ( -6.120 -7.056 0.000) 9.340 21.718 ( -2.727 -0.709 0.000) 2.818 ======================= Grid point 188 (39/45) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.994 4.628 -0.000) 11.928 1.678 ( 12.535 7.164 0.000) 14.438 1.891 ( -13.508 -0.463 -0.000) 13.516 1.993 ( -19.371 4.832 0.000) 19.965 2.466 ( 14.015 -3.595 0.000) 14.469 2.588 ( 7.658 1.420 0.000) 7.789 2.679 ( -7.402 -3.977 0.000) 8.403 2.752 ( -8.028 -1.517 -0.000) 8.170 3.120 ( 5.104 -3.367 0.000) 6.115 3.143 ( 9.310 -2.432 -0.000) 9.622 3.276 ( -8.863 -3.115 0.000) 9.394 3.346 ( -10.101 -1.199 -0.000) 10.172 3.459 ( 8.943 -2.510 -0.000) 9.288 3.495 ( 8.465 2.170 0.000) 8.739 3.556 ( 6.944 -5.509 -0.000) 8.863 3.648 ( 3.125 -1.637 -0.000) 3.528 3.664 ( -8.110 -1.260 0.000) 8.207 3.719 ( -3.179 -0.032 0.000) 3.179 3.756 ( -10.032 -5.661 -0.000) 11.519 3.866 ( -8.358 -0.978 0.000) 8.416 4.077 ( 14.235 -13.042 0.000) 19.306 4.372 ( -15.050 -13.286 0.000) 20.076 4.627 ( 9.018 8.065 -0.000) 12.099 4.696 ( 21.496 2.601 0.000) 21.653 4.720 ( 6.602 6.333 -0.000) 9.148 4.775 ( 12.232 -2.152 0.000) 12.419 4.941 ( -0.522 0.761 0.000) 0.922 4.977 ( 0.124 9.247 0.000) 9.248 5.002 ( 7.091 -5.679 0.000) 9.085 5.122 ( -0.194 5.441 0.000) 5.444 5.199 ( 0.663 7.891 0.000) 7.919 5.205 ( 1.269 6.211 0.000) 6.339 5.638 ( -1.816 -5.124 -0.000) 5.436 5.652 ( 5.863 6.937 0.000) 9.083 5.669 ( -3.615 -1.645 -0.000) 3.972 5.863 ( -13.125 6.852 0.000) 14.806 5.995 ( -2.069 -12.243 0.000) 12.416 6.069 ( 3.200 -11.723 0.000) 12.152 6.070 ( -4.038 2.061 -0.000) 4.534 6.230 ( -8.416 -3.073 0.000) 8.959 6.629 ( 9.440 17.358 0.000) 19.758 6.708 ( 6.258 18.629 0.000) 19.652 6.824 ( -8.605 17.138 -0.000) 19.177 6.869 ( -9.397 17.932 0.000) 20.245 7.115 ( 3.767 5.815 0.000) 6.928 7.227 ( -6.543 4.606 -0.000) 8.001 7.272 ( 4.766 10.968 0.000) 11.959 7.356 ( -2.875 7.800 0.000) 8.313 8.122 ( 16.084 -7.921 0.000) 17.929 8.264 ( 18.203 -14.315 0.000) 23.157 8.293 ( 18.732 -1.142 0.000) 18.767 8.482 ( -20.292 -9.660 -0.000) 22.474 8.588 ( -14.101 -13.447 0.000) 19.485 8.646 ( 15.742 2.061 0.000) 15.876 8.686 ( -20.084 -3.507 0.000) 20.388 8.959 ( -16.081 -0.104 0.000) 16.082 9.222 ( 11.511 -9.278 0.000) 14.784 9.441 ( 14.810 1.998 -0.000) 14.944 9.466 ( -12.459 -8.580 0.000) 15.128 9.695 ( -10.668 3.203 0.000) 11.138 10.508 ( 11.049 3.865 0.000) 11.706 10.638 ( -1.994 3.280 0.000) 3.839 10.657 ( 14.165 10.929 -0.000) 17.891 10.845 ( -5.524 10.797 0.000) 12.128 11.598 ( 4.633 -0.214 0.000) 4.638 11.691 ( -4.836 -0.680 -0.000) 4.883 11.697 ( 4.331 4.918 0.000) 6.553 11.773 ( -3.574 3.453 0.000) 4.970 14.970 ( 15.295 -7.497 0.000) 17.034 15.150 ( 16.560 0.073 0.000) 16.560 15.296 ( -18.614 -10.551 0.000) 21.396 15.502 ( -20.263 -2.198 0.000) 20.382 16.559 ( 7.021 -1.753 0.000) 7.236 16.612 ( 6.538 0.967 -0.000) 6.609 16.713 ( -9.170 -2.611 -0.000) 9.534 16.754 ( -8.307 -0.384 0.000) 8.316 17.243 ( 23.520 4.535 0.000) 23.954 17.646 ( 29.941 23.899 0.000) 38.310 17.651 ( -18.428 0.750 0.000) 18.443 18.204 ( -28.005 27.140 0.000) 38.998 21.246 ( 13.426 -15.605 0.000) 20.586 21.458 ( -9.061 -10.801 0.000) 14.099 21.573 ( 5.108 1.582 0.000) 5.348 21.657 ( -3.714 -0.175 0.000) 3.718 ======================= Grid point 202 (40/45) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.775 3.775 0.000) 5.338 1.655 ( 5.370 5.370 0.000) 7.594 1.691 ( 6.746 6.746 -0.000) 9.540 1.718 ( 9.068 9.068 0.000) 12.823 2.767 ( 3.116 3.116 0.000) 4.407 2.775 ( -4.282 -4.282 0.000) 6.056 2.836 ( 0.046 0.046 0.000) 0.065 2.943 ( -5.637 -5.637 0.000) 7.971 3.026 ( 1.883 1.883 -0.000) 2.663 3.032 ( -6.412 -6.412 0.000) 9.068 3.062 ( -4.589 -4.589 0.000) 6.490 3.140 ( -3.226 -3.226 -0.000) 4.562 3.445 ( 2.586 2.586 -0.000) 3.657 3.481 ( 4.506 4.506 0.000) 6.373 3.502 ( 3.962 3.962 0.000) 5.604 3.561 ( 3.946 3.946 0.000) 5.580 3.642 ( -7.677 -7.677 0.000) 10.856 3.650 ( -8.009 -8.009 -0.000) 11.326 3.886 ( 13.600 13.600 0.000) 19.234 3.950 ( -0.529 -0.529 0.000) 0.748 3.975 ( -6.089 -6.089 -0.000) 8.611 4.167 ( 9.611 9.611 0.000) 13.592 4.332 ( 2.598 2.598 -0.000) 3.675 4.348 ( -0.570 -0.570 0.000) 0.807 4.350 ( 5.637 5.637 -0.000) 7.972 4.638 ( 6.561 6.561 -0.000) 9.279 4.665 ( 22.361 22.361 0.000) 31.623 4.765 ( 5.037 5.037 0.000) 7.123 4.860 ( -3.942 -3.942 0.000) 5.574 4.927 ( 11.160 11.160 0.000) 15.783 4.936 ( 4.272 4.272 0.000) 6.042 5.317 ( -3.698 -3.698 0.000) 5.230 5.793 ( -3.072 -3.072 0.000) 4.345 5.851 ( -0.209 -0.209 -0.000) 0.296 5.914 ( -4.780 -4.780 0.000) 6.760 5.980 ( -7.769 -7.769 0.000) 10.988 6.073 ( 11.665 11.665 0.000) 16.497 6.168 ( -21.828 -21.828 0.000) 30.869 6.208 ( 10.923 10.923 0.000) 15.447 6.486 ( 5.851 5.851 0.000) 8.274 6.649 ( -12.220 -12.220 0.000) 17.281 6.701 ( 9.328 9.328 -0.000) 13.192 6.956 ( 9.178 9.178 0.000) 12.979 7.170 ( 7.370 7.370 0.000) 10.422 7.253 ( 4.495 4.495 -0.000) 6.357 7.269 ( 3.819 3.819 0.000) 5.401 7.428 ( 10.062 10.062 0.000) 14.230 7.478 ( 2.165 2.165 0.000) 3.061 7.700 ( 2.826 2.826 0.000) 3.997 7.839 ( 0.455 0.455 0.000) 0.644 7.888 ( 2.145 2.145 0.000) 3.034 8.229 ( 3.080 3.080 0.000) 4.355 8.244 ( 2.621 2.621 0.000) 3.706 8.989 ( 9.242 9.242 0.000) 13.071 9.040 ( -16.491 -16.491 -0.000) 23.322 9.143 ( -10.704 -10.704 0.000) 15.138 9.212 ( -11.906 -11.906 0.000) 16.838 9.335 ( -7.699 -7.699 0.000) 10.888 9.702 ( 19.110 19.110 0.000) 27.026 9.745 ( -9.919 -9.919 0.000) 14.027 10.194 ( 20.442 20.442 -0.000) 28.910 10.312 ( -4.599 -4.599 0.000) 6.503 10.539 ( 8.823 8.823 0.000) 12.478 10.981 ( 6.268 6.268 0.000) 8.864 11.485 ( 3.780 3.780 0.000) 5.345 11.604 ( 7.286 7.286 0.000) 10.305 11.791 ( -1.189 -1.189 -0.000) 1.682 11.872 ( 0.444 0.444 0.000) 0.628 14.553 ( 2.959 2.959 0.000) 4.185 14.755 ( 6.171 6.171 0.000) 8.727 15.755 ( -19.288 -19.288 0.000) 27.277 16.136 ( -19.984 -19.984 0.000) 28.262 16.372 ( 2.147 2.147 0.000) 3.036 16.472 ( 2.931 2.931 0.000) 4.146 16.611 ( 18.523 18.523 0.000) 26.196 16.995 ( 27.384 27.384 0.000) 38.727 17.009 ( -10.318 -10.318 -0.000) 14.592 17.012 ( -7.451 -7.451 0.000) 10.537 17.993 ( 0.302 0.302 0.000) 0.427 19.897 ( 0.217 0.217 0.000) 0.307 19.918 ( 4.045 4.045 0.000) 5.720 21.427 ( 5.197 5.197 0.000) 7.350 21.591 ( -6.984 -6.984 0.000) 9.877 21.732 ( -2.303 -2.303 0.000) 3.257 ======================= Grid point 204 (41/45) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 3.784 6.516 0.000) 7.536 1.714 ( 4.723 12.017 0.000) 12.912 1.871 ( 7.498 -2.107 0.000) 7.789 1.988 ( 13.983 -2.772 0.000) 14.255 2.593 ( -14.789 7.805 -0.000) 16.722 2.714 ( -4.780 -2.972 -0.000) 5.628 2.722 ( -10.215 3.655 0.000) 10.849 2.855 ( -6.763 -1.605 0.000) 6.951 2.931 ( 1.720 -2.811 0.000) 3.295 2.994 ( -0.472 -6.794 0.000) 6.810 3.075 ( 7.801 -11.411 -0.000) 13.823 3.266 ( 7.705 -13.354 0.000) 15.417 3.385 ( -9.280 -3.106 0.000) 9.786 3.461 ( -1.733 2.453 -0.000) 3.004 3.481 ( -0.516 -2.720 -0.000) 2.768 3.545 ( -0.863 1.957 0.000) 2.139 3.652 ( -3.633 -5.594 -0.000) 6.670 3.694 ( 10.090 -1.643 0.000) 10.223 3.829 ( -8.005 -4.874 -0.000) 9.372 3.914 ( -3.752 -0.482 -0.000) 3.783 4.039 ( -2.617 2.932 0.000) 3.930 4.359 ( 4.118 -2.046 0.000) 4.599 4.386 ( 9.012 -4.088 -0.000) 9.896 4.418 ( 9.630 6.150 0.000) 11.427 4.528 ( 8.668 1.587 -0.000) 8.812 4.650 ( -2.017 -10.884 0.000) 11.069 4.772 ( 8.655 13.195 0.000) 15.780 4.899 ( 7.397 0.836 0.000) 7.444 5.093 ( 11.476 14.537 0.000) 18.521 5.231 ( 13.020 17.488 -0.000) 21.803 5.233 ( 19.620 17.374 0.000) 26.207 5.258 ( 1.306 1.139 0.000) 1.733 5.647 ( -10.953 -13.687 0.000) 17.530 5.677 ( -11.111 -6.409 0.000) 12.827 5.749 ( -15.757 -17.241 0.000) 23.357 5.881 ( 1.515 2.666 0.000) 3.066 5.935 ( -0.661 0.956 0.000) 1.162 6.239 ( 5.094 11.327 -0.000) 12.420 6.257 ( -11.542 1.138 0.000) 11.598 6.495 ( -1.236 14.585 0.000) 14.637 6.657 ( 11.874 8.776 0.000) 14.765 6.897 ( 9.891 15.492 0.000) 18.380 7.093 ( 4.278 12.020 0.000) 12.759 7.255 ( 1.023 11.169 0.000) 11.215 7.310 ( 0.445 9.056 0.000) 9.067 7.389 ( 7.867 1.848 0.000) 8.081 7.514 ( -1.004 6.083 0.000) 6.166 7.520 ( 0.267 16.576 0.000) 16.578 7.752 ( 6.542 -1.661 0.000) 6.749 7.855 ( 1.874 -1.495 0.000) 2.398 7.970 ( 9.049 -1.784 0.000) 9.223 8.361 ( 10.047 -2.494 -0.000) 10.352 8.367 ( 5.000 -14.147 0.000) 15.005 8.679 ( -20.053 -12.421 0.000) 23.588 8.925 ( -14.319 -9.238 0.000) 17.040 8.962 ( -7.894 -11.764 -0.000) 14.167 9.089 ( -7.611 -11.611 0.000) 13.883 9.237 ( 7.490 4.788 0.000) 8.889 9.530 ( -12.162 -9.842 0.000) 15.645 9.884 ( -3.857 1.501 0.000) 4.139 10.386 ( 13.682 9.334 -0.000) 16.563 10.586 ( 19.026 16.276 0.000) 25.038 10.703 ( 7.040 8.474 0.000) 11.017 11.067 ( 2.316 8.344 0.000) 8.659 11.547 ( 2.770 1.958 0.000) 3.392 11.726 ( 5.175 6.653 0.000) 8.429 11.756 ( -2.694 -0.717 -0.000) 2.788 11.869 ( -0.762 1.863 0.000) 2.012 14.654 ( 7.548 -1.405 0.000) 7.678 14.905 ( 9.541 2.188 0.000) 9.788 15.401 ( -17.414 -14.599 0.000) 22.724 15.750 ( -19.392 -12.406 0.000) 23.021 16.433 ( 4.040 0.280 0.000) 4.050 16.539 ( 4.074 2.161 0.000) 4.612 16.811 ( -8.525 -5.656 -0.000) 10.231 16.868 ( -7.334 -3.965 0.000) 8.337 17.022 ( 21.567 16.527 0.000) 27.172 17.566 ( 31.425 29.263 0.000) 42.940 17.953 ( -5.603 4.046 0.000) 6.911 19.350 ( -29.254 32.774 0.000) 43.931 20.470 ( 25.454 -25.866 0.000) 36.290 21.429 ( -10.006 -10.979 0.000) 14.855 21.500 ( 3.063 0.189 0.000) 3.069 21.679 ( -3.111 -3.166 0.000) 4.438 ======================= Grid point 206 (42/45) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 8.022 5.316 0.000) 9.624 1.863 ( 10.937 11.644 -0.000) 15.975 1.893 ( -5.311 0.782 0.000) 5.368 2.090 ( -8.423 4.398 0.000) 9.502 2.434 ( 4.575 1.222 0.000) 4.736 2.594 ( -8.192 -4.581 0.000) 9.386 2.617 ( 0.937 2.090 0.000) 2.290 2.713 ( -7.245 -1.149 -0.000) 7.336 3.043 ( 5.728 -4.313 0.000) 7.170 3.048 ( 8.884 -7.286 -0.000) 11.489 3.197 ( -9.629 -4.824 0.000) 10.770 3.231 ( -9.034 -10.150 -0.000) 13.588 3.263 ( 10.914 -13.655 0.000) 17.481 3.479 ( -11.061 -12.279 0.000) 16.526 3.506 ( 7.658 -3.952 0.000) 8.618 3.606 ( 5.741 -1.118 -0.000) 5.849 3.615 ( 7.004 6.748 0.000) 9.726 3.688 ( -2.722 -1.825 -0.000) 3.277 3.783 ( -9.129 4.586 -0.000) 10.216 3.863 ( -7.923 -0.164 0.000) 7.925 3.920 ( 8.261 -3.135 0.000) 8.836 4.169 ( -14.165 -6.659 0.000) 15.652 4.611 ( 10.118 -11.203 0.000) 15.096 4.665 ( 4.441 -2.812 -0.000) 5.257 4.728 ( 19.551 -11.199 0.000) 22.532 4.844 ( 12.713 3.257 -0.000) 13.124 4.920 ( 7.782 7.740 0.000) 10.976 4.983 ( -0.638 0.624 0.000) 0.893 5.131 ( -20.293 -9.748 0.000) 22.512 5.140 ( -10.260 2.830 -0.000) 10.643 5.269 ( 2.386 3.030 0.000) 3.857 5.306 ( -1.273 2.777 0.000) 3.055 5.522 ( 0.458 -0.678 0.000) 0.818 5.592 ( -5.871 -1.033 0.000) 5.962 5.819 ( 13.043 12.395 0.000) 17.993 5.990 ( 0.533 5.501 0.000) 5.527 6.020 ( 1.854 6.671 -0.000) 6.924 6.050 ( 13.339 12.774 0.000) 18.469 6.246 ( -5.126 12.345 0.000) 13.367 6.349 ( -14.939 15.271 0.000) 21.363 6.910 ( 13.161 12.239 0.000) 17.972 7.061 ( 7.618 17.727 0.000) 19.294 7.109 ( -5.258 13.456 -0.000) 14.447 7.199 ( -6.228 16.187 0.000) 17.344 7.305 ( 2.846 12.473 0.000) 12.794 7.420 ( -6.960 13.104 -0.000) 14.838 7.499 ( 2.497 7.896 0.000) 8.282 7.521 ( 0.386 12.659 0.000) 12.665 7.973 ( 11.977 -6.963 0.000) 13.854 7.988 ( 15.463 -13.231 -0.000) 20.351 8.217 ( 10.512 -8.203 0.000) 13.333 8.288 ( -19.151 -9.729 -0.000) 21.480 8.290 ( -6.082 -14.692 0.000) 15.901 8.586 ( -18.845 -7.866 0.000) 20.421 8.606 ( 13.556 -5.565 0.000) 14.654 8.866 ( -13.118 -8.682 0.000) 15.731 9.032 ( 11.315 -9.910 0.000) 15.041 9.282 ( -13.509 -10.288 0.000) 16.981 9.460 ( 12.933 0.110 0.000) 12.933 9.705 ( -12.111 -2.377 0.000) 12.342 10.652 ( 11.100 10.627 0.000) 15.367 10.770 ( -0.957 9.264 0.000) 9.314 10.892 ( 12.400 12.718 0.000) 17.763 11.052 ( -4.326 10.195 0.000) 11.075 11.606 ( 3.726 0.768 0.000) 3.805 11.687 ( -4.307 0.017 -0.000) 4.307 11.802 ( 2.907 5.611 0.000) 6.319 11.845 ( -1.714 3.833 0.000) 4.199 14.838 ( 11.568 -5.800 0.000) 12.940 15.092 ( -14.785 -10.160 0.000) 17.939 15.122 ( 13.124 -2.174 0.000) 13.303 15.406 ( -16.420 -6.861 0.000) 17.796 16.527 ( 5.753 -1.456 0.000) 5.935 16.627 ( 5.121 0.707 -0.000) 5.170 16.654 ( -7.496 -3.416 -0.000) 8.237 16.737 ( -6.289 -1.282 0.000) 6.418 17.434 ( 20.139 13.788 0.000) 24.407 17.765 ( -13.888 9.274 0.000) 16.700 18.177 ( 31.927 30.550 0.000) 44.189 18.778 ( -30.591 31.670 0.000) 44.032 20.892 ( 18.836 -20.935 0.000) 28.161 21.202 ( -13.781 -15.732 0.000) 20.914 21.557 ( 2.991 -2.688 0.000) 4.021 21.617 ( -3.240 -3.581 0.000) 4.829 ======================= Grid point 222 (43/45) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 4.018 4.018 0.000) 5.683 1.915 ( 4.056 4.056 -0.000) 5.736 1.940 ( 9.784 9.784 0.000) 13.837 2.008 ( 5.679 5.679 0.000) 8.031 2.631 ( -5.937 -5.937 0.000) 8.396 2.704 ( -3.489 -3.489 0.000) 4.934 2.708 ( -6.127 -6.127 -0.000) 8.665 2.793 ( 0.886 0.886 -0.000) 1.252 2.824 ( -0.547 -0.547 0.000) 0.774 2.961 ( -7.557 -7.557 0.000) 10.687 2.969 ( -0.591 -0.591 -0.000) 0.835 3.036 ( 0.406 0.406 0.000) 0.575 3.253 ( -8.518 -8.518 0.000) 12.046 3.367 ( -3.394 -3.394 0.000) 4.800 3.448 ( -7.093 -7.093 0.000) 10.031 3.545 ( 1.976 1.976 0.000) 2.794 3.732 ( -4.885 -4.885 -0.000) 6.909 3.745 ( 4.348 4.348 -0.000) 6.149 3.759 ( 6.932 6.932 0.000) 9.804 3.871 ( -1.419 -1.419 -0.000) 2.007 4.014 ( -5.835 -5.835 0.000) 8.252 4.302 ( -1.479 -1.479 -0.000) 2.091 4.305 ( -1.198 -1.198 0.000) 1.694 4.329 ( -10.058 -10.058 0.000) 14.224 4.555 ( 0.349 0.349 0.000) 0.493 4.759 ( 14.622 14.622 0.000) 20.679 4.925 ( 0.189 0.189 0.000) 0.268 4.957 ( 4.191 4.191 0.000) 5.928 5.264 ( 3.196 3.196 -0.000) 4.520 5.273 ( -20.215 -20.215 0.000) 28.589 5.305 ( -15.572 -15.572 0.000) 22.022 5.306 ( 8.717 8.717 0.000) 12.328 5.518 ( 7.302 7.302 0.000) 10.326 5.658 ( -1.946 -1.946 0.000) 2.752 5.775 ( 29.695 29.695 0.000) 41.995 5.963 ( 1.579 1.579 0.000) 2.233 6.050 ( 13.905 13.905 0.000) 19.665 6.200 ( -5.614 -5.614 0.000) 7.939 6.416 ( 6.736 6.736 0.000) 9.525 6.760 ( 8.195 8.195 0.000) 11.589 6.878 ( 13.869 13.869 0.000) 19.614 7.185 ( 13.218 13.218 -0.000) 18.693 7.289 ( 6.887 6.887 0.000) 9.739 7.433 ( 7.132 7.132 0.000) 10.086 7.450 ( 5.357 5.357 0.000) 7.576 7.467 ( 6.750 6.750 0.000) 9.546 7.549 ( 1.637 1.637 0.000) 2.315 7.769 ( 7.016 7.016 -0.000) 9.923 7.793 ( 1.241 1.241 0.000) 1.755 7.825 ( -1.596 -1.596 0.000) 2.258 7.961 ( 1.256 1.256 0.000) 1.776 8.135 ( -9.153 -9.153 0.000) 12.945 8.330 ( 1.539 1.539 0.000) 2.176 8.425 ( -13.932 -13.932 0.000) 19.703 8.695 ( -14.649 -14.649 0.000) 20.717 8.799 ( -2.982 -2.982 -0.000) 4.217 8.866 ( -10.993 -10.993 0.000) 15.547 9.319 ( -11.937 -11.937 0.000) 16.881 9.328 ( 5.155 5.155 0.000) 7.290 9.798 ( -8.263 -8.263 0.000) 11.685 10.642 ( 14.543 14.543 0.000) 20.566 10.866 ( 7.449 7.449 0.000) 10.535 10.889 ( 14.423 14.423 0.000) 20.397 11.191 ( 4.191 4.191 0.000) 5.926 11.580 ( 1.572 1.572 0.000) 2.223 11.734 ( -1.820 -1.820 -0.000) 2.574 11.837 ( 4.664 4.664 0.000) 6.596 11.899 ( 1.213 1.213 0.000) 1.715 14.666 ( 2.787 2.787 0.000) 3.942 14.968 ( 4.728 4.728 0.000) 6.687 15.138 ( -12.685 -12.685 0.000) 17.940 15.500 ( -12.908 -12.908 0.000) 18.254 16.454 ( 1.947 1.947 0.000) 2.753 16.585 ( 2.617 2.617 0.000) 3.700 16.696 ( -6.001 -6.001 -0.000) 8.486 16.787 ( -4.283 -4.283 0.000) 6.057 17.376 ( 19.129 19.129 0.000) 27.052 18.009 ( 0.453 0.453 0.000) 0.641 18.163 ( 32.334 32.334 0.000) 45.727 19.914 ( 0.610 0.610 0.000) 0.863 19.981 ( -0.007 -0.007 0.000) 0.010 21.182 ( -14.762 -14.762 0.000) 20.877 21.491 ( -0.572 -0.572 0.000) 0.808 21.608 ( -3.970 -3.970 0.000) 5.615 ======================= Grid point 224 (44/45) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 7.013 3.687 0.000) 7.923 1.935 ( -3.014 3.261 -0.000) 4.440 2.082 ( 6.718 8.756 0.000) 11.036 2.142 ( 3.290 1.928 0.000) 3.813 2.500 ( -4.240 0.737 0.000) 4.303 2.548 ( -6.990 4.218 0.000) 8.164 2.624 ( 0.061 -3.629 0.000) 3.630 2.721 ( -8.784 -0.443 0.000) 8.795 2.917 ( 6.592 -4.096 -0.000) 7.761 2.967 ( 7.800 -3.328 0.000) 8.480 3.034 ( 8.621 -8.213 -0.000) 11.907 3.043 ( -4.588 -5.175 0.000) 6.916 3.099 ( -7.037 -5.284 0.000) 8.800 3.267 ( -12.341 -8.748 0.000) 15.127 3.406 ( 7.173 -5.085 0.000) 8.792 3.540 ( -4.480 -5.036 0.000) 6.740 3.695 ( 3.388 1.522 0.000) 3.714 3.763 ( 3.176 7.310 0.000) 7.971 3.840 ( -10.110 -2.420 -0.000) 10.395 3.859 ( -4.127 2.236 0.000) 4.694 3.913 ( 8.842 1.987 0.000) 9.062 4.106 ( -10.916 -1.747 0.000) 11.054 4.378 ( 8.675 -10.923 -0.000) 13.949 4.434 ( 12.080 -14.127 0.000) 18.587 4.529 ( -4.537 -10.648 0.000) 11.574 4.735 ( -17.582 -19.653 0.000) 26.370 4.959 ( -0.513 -2.480 -0.000) 2.533 5.000 ( 8.929 8.518 0.000) 12.340 5.037 ( -9.299 -7.904 0.000) 12.204 5.088 ( -1.768 3.626 0.000) 4.034 5.389 ( 5.826 8.199 -0.000) 10.058 5.425 ( 2.580 7.355 0.000) 7.794 5.573 ( 1.020 2.369 0.000) 2.579 5.611 ( -2.851 1.468 0.000) 3.207 5.993 ( 2.677 4.754 0.000) 5.456 6.078 ( -6.007 2.038 0.000) 6.343 6.332 ( 25.981 24.588 0.000) 35.771 6.337 ( 12.834 15.253 0.000) 19.934 6.475 ( -1.411 10.476 0.000) 10.571 6.723 ( -12.868 21.108 0.000) 24.721 7.129 ( 12.816 10.153 0.000) 16.350 7.332 ( -5.197 9.023 0.000) 10.413 7.378 ( 7.610 15.170 -0.000) 16.971 7.485 ( -2.338 13.577 0.000) 13.777 7.533 ( 3.967 7.828 0.000) 8.776 7.596 ( 8.277 3.188 -0.000) 8.869 7.611 ( -0.756 5.571 0.000) 5.622 7.747 ( -6.747 6.523 0.000) 9.385 7.800 ( 5.306 -5.355 0.000) 7.539 7.883 ( 9.439 -0.367 0.000) 9.446 7.965 ( -8.636 -11.660 0.000) 14.510 8.103 ( 11.928 -7.988 0.000) 14.355 8.136 ( -15.089 -5.892 0.000) 16.198 8.390 ( -16.469 -12.072 0.000) 20.420 8.466 ( 10.263 -7.848 0.000) 12.920 8.667 ( -10.220 -11.090 0.000) 15.081 8.867 ( 8.943 -6.513 0.000) 11.064 9.082 ( -12.395 -10.287 0.000) 16.108 9.450 ( 7.711 -0.765 0.000) 7.749 9.620 ( -9.613 -5.790 0.000) 11.222 10.873 ( 8.570 11.160 0.000) 14.071 10.951 ( 0.556 8.702 0.000) 8.719 11.115 ( 8.724 9.956 0.000) 13.237 11.216 ( -1.814 6.513 0.000) 6.761 11.619 ( 2.789 0.526 0.000) 2.838 11.682 ( -3.389 -0.697 -0.000) 3.460 11.899 ( 1.809 4.235 0.000) 4.605 11.913 ( 0.166 3.108 0.000) 3.112 14.759 ( 6.717 -2.384 0.000) 7.128 14.920 ( -9.984 -7.629 0.000) 12.565 15.090 ( 7.944 -0.796 0.000) 7.983 15.271 ( -10.829 -6.689 0.000) 12.728 16.507 ( 3.540 -0.512 0.000) 3.577 16.589 ( -4.999 -3.150 0.000) 5.909 16.641 ( 3.206 0.723 -0.000) 3.287 16.708 ( -3.858 -1.564 0.000) 4.163 17.715 ( 15.381 14.312 0.000) 21.010 17.941 ( -7.762 7.720 0.000) 10.948 18.784 ( 32.124 32.101 0.000) 45.414 19.384 ( -30.327 30.956 0.000) 43.336 20.453 ( 23.694 -24.670 0.000) 34.205 20.860 ( -18.893 -19.848 0.000) 27.402 21.495 ( 1.173 -3.214 0.000) 3.421 21.537 ( -3.141 -4.290 0.000) 5.318 ======================= Grid point 242 (45/45) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 5.690 5.690 0.000) 8.047 1.982 ( 0.224 0.224 0.000) 0.316 2.142 ( 1.478 1.478 0.000) 2.090 2.177 ( -1.076 -1.076 0.000) 1.522 2.522 ( -2.876 -2.876 -0.000) 4.068 2.543 ( 4.939 4.939 0.000) 6.984 2.594 ( -8.963 -8.963 0.000) 12.676 2.617 ( -0.882 -0.882 -0.000) 1.247 2.962 ( 6.213 6.213 -0.000) 8.786 2.972 ( 0.306 0.306 0.000) 0.433 2.974 ( 5.920 5.920 0.000) 8.372 3.010 ( -3.544 -3.544 0.000) 5.012 3.042 ( -0.284 -0.284 0.000) 0.402 3.126 ( -7.478 -7.478 0.000) 10.575 3.353 ( 1.098 1.098 -0.000) 1.553 3.437 ( -5.710 -5.710 0.000) 8.075 3.731 ( 2.356 2.356 0.000) 3.332 3.786 ( -3.150 -3.150 -0.000) 4.455 3.841 ( 0.915 0.915 -0.000) 1.295 3.866 ( -0.701 -0.701 0.000) 0.991 3.965 ( 3.478 3.478 0.000) 4.919 4.052 ( -4.569 -4.569 0.000) 6.462 4.265 ( -0.391 -0.391 -0.000) 0.552 4.282 ( -0.037 -0.037 0.000) 0.053 4.337 ( -7.450 -7.450 0.000) 10.536 4.413 ( -12.601 -12.601 0.000) 17.820 4.900 ( -1.842 -1.842 0.000) 2.605 4.922 ( -3.916 -3.916 -0.000) 5.538 5.128 ( 4.171 4.171 0.000) 5.898 5.149 ( 1.739 1.739 0.000) 2.459 5.518 ( 4.225 4.225 0.000) 5.975 5.531 ( 2.896 2.896 0.000) 4.096 5.599 ( 0.915 0.915 0.000) 1.293 5.617 ( -0.751 -0.751 0.000) 1.063 6.056 ( 2.280 2.280 0.000) 3.224 6.086 ( -0.802 -0.802 0.000) 1.134 6.569 ( 7.721 7.721 0.000) 10.918 6.613 ( 3.028 3.028 0.000) 4.282 6.802 ( 22.070 22.070 0.000) 31.212 7.041 ( 4.874 4.874 0.000) 6.893 7.250 ( 4.942 4.942 0.000) 6.989 7.404 ( -3.425 -3.425 0.000) 4.843 7.534 ( 0.011 0.011 0.000) 0.015 7.614 ( -7.317 -7.317 -0.000) 10.348 7.632 ( 9.589 9.589 0.000) 13.561 7.648 ( 4.205 4.205 0.000) 5.947 7.694 ( 4.574 4.574 0.000) 6.468 7.723 ( -2.639 -2.639 0.000) 3.732 7.802 ( 8.163 8.163 0.000) 11.544 7.939 ( -0.033 -0.033 -0.000) 0.047 7.949 ( 2.375 2.375 0.000) 3.359 7.974 ( -0.277 -0.277 -0.000) 0.392 8.032 ( -5.834 -5.834 0.000) 8.251 8.149 ( -12.172 -12.172 0.000) 17.214 8.378 ( 0.612 0.612 0.000) 0.866 8.475 ( -8.208 -8.208 0.000) 11.608 8.812 ( 1.176 1.176 0.000) 1.663 8.904 ( -7.747 -7.747 0.000) 10.956 9.450 ( 1.301 1.301 0.000) 1.839 9.511 ( -4.896 -4.896 0.000) 6.925 11.041 ( 5.622 5.622 0.000) 7.951 11.069 ( 2.803 2.803 0.000) 3.963 11.258 ( 4.716 4.716 0.000) 6.669 11.292 ( 1.192 1.192 0.000) 1.686 11.631 ( 0.968 0.968 0.000) 1.369 11.658 ( -1.653 -1.653 0.000) 2.338 11.955 ( 1.499 1.499 0.000) 2.121 11.957 ( 1.259 1.259 0.000) 1.780 14.748 ( 1.200 1.200 0.000) 1.697 14.803 ( -4.523 -4.523 0.000) 6.397 15.100 ( 1.865 1.865 0.000) 2.638 15.161 ( -4.552 -4.552 0.000) 6.437 16.509 ( 0.791 0.791 0.000) 1.119 16.538 ( -2.140 -2.140 0.000) 3.026 16.657 ( 1.003 1.003 -0.000) 1.419 16.680 ( -1.375 -1.375 0.000) 1.944 17.942 ( 8.528 8.528 0.000) 12.061 18.023 ( 0.228 0.228 0.000) 0.322 19.388 ( 30.587 30.587 0.000) 43.257 19.935 ( 0.349 0.349 0.000) 0.494 19.963 ( -0.457 -0.457 0.000) 0.646 20.443 ( -23.745 -23.745 0.000) 33.580 21.453 ( -0.805 -0.805 0.000) 1.139 21.469 ( -2.433 -2.433 0.000) 3.441 =================== 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 3/27216 10.0 826.019 826.019 880.973 -0.000 -0.000 0.000 3/27216 20.0 119.583 119.583 108.080 -0.000 -0.000 0.000 3/27216 30.0 42.131 42.131 36.192 -0.000 -0.000 0.000 3/27216 40.0 22.311 22.311 18.871 -0.000 -0.000 0.000 3/27216 50.0 14.484 14.484 12.125 -0.000 -0.000 0.000 3/27216 60.0 10.587 10.587 8.756 -0.000 -0.000 0.000 3/27216 70.0 8.343 8.343 6.800 -0.000 -0.000 0.000 3/27216 80.0 6.916 6.916 5.544 -0.000 -0.000 0.000 3/27216 90.0 5.938 5.938 4.679 -0.000 -0.000 0.000 3/27216 100.0 5.231 5.231 4.050 -0.000 -0.000 0.000 3/27216 110.0 4.696 4.696 3.575 0.000 -0.000 0.000 3/27216 120.0 4.276 4.276 3.203 0.000 -0.000 0.000 3/27216 130.0 3.938 3.938 2.904 0.000 -0.000 0.000 3/27216 140.0 3.660 3.660 2.659 0.000 -0.000 0.000 3/27216 150.0 3.425 3.425 2.455 0.000 -0.000 0.000 3/27216 160.0 3.224 3.224 2.281 0.000 -0.000 0.000 3/27216 170.0 3.049 3.049 2.132 -0.000 -0.000 0.000 3/27216 180.0 2.896 2.896 2.002 -0.000 -0.000 0.000 3/27216 190.0 2.760 2.760 1.888 -0.000 -0.000 0.000 3/27216 200.0 2.637 2.637 1.786 -0.000 -0.000 0.000 3/27216 210.0 2.527 2.527 1.696 -0.000 -0.000 0.000 3/27216 220.0 2.426 2.426 1.615 -0.000 -0.000 0.000 3/27216 230.0 2.334 2.334 1.542 -0.000 -0.000 0.000 3/27216 240.0 2.250 2.250 1.475 -0.000 -0.000 0.000 3/27216 250.0 2.171 2.171 1.414 -0.000 -0.000 0.000 3/27216 260.0 2.099 2.099 1.358 -0.000 -0.000 0.000 3/27216 270.0 2.031 2.031 1.306 -0.000 -0.000 0.000 3/27216 280.0 1.967 1.967 1.259 -0.000 -0.000 0.000 3/27216 290.0 1.908 1.908 1.214 -0.000 -0.000 0.000 3/27216 300.0 1.852 1.852 1.173 -0.000 -0.000 0.000 3/27216 310.0 1.800 1.800 1.135 -0.000 -0.000 0.000 3/27216 320.0 1.750 1.750 1.099 -0.000 -0.000 0.000 3/27216 330.0 1.703 1.703 1.065 -0.000 -0.000 0.000 3/27216 340.0 1.658 1.658 1.034 -0.000 -0.000 0.000 3/27216 350.0 1.616 1.616 1.004 -0.000 -0.000 0.000 3/27216 360.0 1.576 1.576 0.976 -0.000 -0.000 0.000 3/27216 370.0 1.537 1.537 0.949 -0.000 -0.000 0.000 3/27216 380.0 1.501 1.501 0.924 -0.000 -0.000 0.000 3/27216 390.0 1.466 1.466 0.900 -0.000 -0.000 0.000 3/27216 400.0 1.433 1.433 0.878 -0.000 -0.000 0.000 3/27216 410.0 1.401 1.401 0.856 -0.000 -0.000 0.000 3/27216 420.0 1.371 1.371 0.836 -0.000 -0.000 0.000 3/27216 430.0 1.342 1.342 0.816 -0.000 -0.000 0.000 3/27216 440.0 1.314 1.314 0.798 -0.000 -0.000 0.000 3/27216 450.0 1.287 1.287 0.780 -0.000 -0.000 0.000 3/27216 460.0 1.261 1.261 0.763 -0.000 -0.000 0.000 3/27216 470.0 1.236 1.236 0.747 -0.000 -0.000 0.000 3/27216 480.0 1.212 1.212 0.731 -0.000 -0.000 0.000 3/27216 490.0 1.189 1.189 0.716 -0.000 -0.000 0.000 3/27216 500.0 1.167 1.167 0.702 -0.000 -0.000 0.000 3/27216 510.0 1.146 1.146 0.688 -0.000 -0.000 0.000 3/27216 520.0 1.125 1.125 0.675 -0.000 -0.000 0.000 3/27216 530.0 1.105 1.105 0.662 -0.000 -0.000 0.000 3/27216 540.0 1.086 1.086 0.650 -0.000 -0.000 0.000 3/27216 550.0 1.067 1.067 0.638 -0.000 -0.000 0.000 3/27216 560.0 1.049 1.049 0.627 -0.000 -0.000 0.000 3/27216 570.0 1.032 1.032 0.616 -0.000 -0.000 0.000 3/27216 580.0 1.015 1.015 0.605 -0.000 -0.000 0.000 3/27216 590.0 0.999 0.999 0.595 -0.000 -0.000 0.000 3/27216 600.0 0.983 0.983 0.585 -0.000 -0.000 0.000 3/27216 610.0 0.968 0.968 0.575 -0.000 -0.000 0.000 3/27216 620.0 0.953 0.953 0.566 -0.000 -0.000 0.000 3/27216 630.0 0.939 0.939 0.557 -0.000 -0.000 0.000 3/27216 640.0 0.925 0.925 0.549 -0.000 -0.000 0.000 3/27216 650.0 0.911 0.911 0.540 -0.000 -0.000 0.000 3/27216 660.0 0.898 0.898 0.532 -0.000 -0.000 0.000 3/27216 670.0 0.885 0.885 0.524 -0.000 -0.000 0.000 3/27216 680.0 0.873 0.873 0.516 -0.000 -0.000 0.000 3/27216 690.0 0.860 0.860 0.509 -0.000 -0.000 0.000 3/27216 700.0 0.849 0.849 0.502 -0.000 -0.000 0.000 3/27216 710.0 0.837 0.837 0.495 -0.000 -0.000 0.000 3/27216 720.0 0.826 0.826 0.488 -0.000 -0.000 0.000 3/27216 730.0 0.815 0.815 0.481 -0.000 -0.000 0.000 3/27216 740.0 0.804 0.804 0.474 -0.000 -0.000 0.000 3/27216 750.0 0.794 0.794 0.468 -0.000 -0.000 0.000 3/27216 760.0 0.784 0.784 0.462 -0.000 -0.000 0.000 3/27216 770.0 0.774 0.774 0.456 -0.000 -0.000 0.000 3/27216 780.0 0.765 0.765 0.450 -0.000 -0.000 0.000 3/27216 790.0 0.755 0.755 0.444 -0.000 -0.000 0.000 3/27216 800.0 0.746 0.746 0.439 -0.000 -0.000 0.000 3/27216 810.0 0.737 0.737 0.434 -0.000 -0.000 0.000 3/27216 820.0 0.728 0.728 0.428 -0.000 -0.000 0.000 3/27216 830.0 0.720 0.720 0.423 -0.000 -0.000 0.000 3/27216 840.0 0.712 0.712 0.418 -0.000 -0.000 0.000 3/27216 850.0 0.703 0.703 0.413 -0.000 -0.000 0.000 3/27216 860.0 0.696 0.696 0.408 -0.000 -0.000 0.000 3/27216 870.0 0.688 0.688 0.404 -0.000 -0.000 0.000 3/27216 880.0 0.680 0.680 0.399 -0.000 -0.000 0.000 3/27216 890.0 0.673 0.673 0.395 -0.000 -0.000 0.000 3/27216 900.0 0.665 0.665 0.390 -0.000 -0.000 0.000 3/27216 910.0 0.658 0.658 0.386 -0.000 -0.000 0.000 3/27216 920.0 0.651 0.651 0.382 -0.000 -0.000 0.000 3/27216 930.0 0.644 0.644 0.378 -0.000 -0.000 0.000 3/27216 940.0 0.638 0.638 0.374 -0.000 -0.000 0.000 3/27216 950.0 0.631 0.631 0.370 -0.000 -0.000 0.000 3/27216 960.0 0.625 0.625 0.366 -0.000 -0.000 0.000 3/27216 970.0 0.619 0.619 0.362 -0.000 -0.000 0.000 3/27216 980.0 0.612 0.612 0.358 -0.000 -0.000 0.000 3/27216 990.0 0.606 0.606 0.355 -0.000 -0.000 0.000 3/27216 1000.0 0.600 0.600 0.351 -0.000 -0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:11:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|