----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:41:33]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.569386830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.569386830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031326600000000 Atomic positions (fractional): *1 O 0.80658460743339 0.80658460743339 0.83613206688789 15.999 2 O 0.19341539256661 0.19341539256661 0.83613206688789 15.999 3 O 0.80658460743339 0.80658460743339 0.16386793311211 15.999 4 O 0.30658460743339 0.69341539256661 0.33613206688789 15.999 5 O 0.69341539256661 0.30658460743339 0.33613206688789 15.999 6 O 0.69341539256661 0.30658460743339 0.66386793311211 15.999 *7 O 0.30187118835001 0.69812881164999 0.00000000000000 15.999 8 O 0.80187118835001 0.80187118835001 0.50000000000000 15.999 9 O 0.19812881164999 0.19812881164999 0.50000000000000 15.999 10 O 0.69812881164999 0.30187118835001 0.00000000000000 15.999 11 O 0.19341539256661 0.19341539256661 0.16386793311211 15.999 12 O 0.30658460743339 0.69341539256661 0.66386793311211 15.999 *13 Ga 0.00000000000000 0.00000000000000 0.33459910277914 69.723 14 Ga 0.50000000000000 0.50000000000000 0.83459910277914 69.723 15 Ga 0.50000000000000 0.50000000000000 0.16540089722086 69.723 16 Ga 0.00000000000000 0.00000000000000 0.66540089722086 69.723 *17 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.569386830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.569386830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031326600000000 Atomic positions (fractional): *1 O 0.80658460743339 0.80658460743339 0.83613206688789 15.999 > 1 2 O 0.19341539256661 0.19341539256661 0.83613206688789 15.999 > 2 3 O 0.80658460743339 0.80658460743339 0.16386793311211 15.999 > 3 4 O 0.30658460743339 0.69341539256661 0.33613206688789 15.999 > 4 5 O 0.69341539256661 0.30658460743339 0.33613206688789 15.999 > 5 6 O 0.69341539256661 0.30658460743339 0.66386793311211 15.999 > 6 *7 O 0.30187118835001 0.69812881164999 0.00000000000000 15.999 > 7 8 O 0.80187118835001 0.80187118835001 0.50000000000000 15.999 > 8 9 O 0.19812881164999 0.19812881164999 0.50000000000000 15.999 > 9 10 O 0.69812881164999 0.30187118835001 0.00000000000000 15.999 > 10 11 O 0.19341539256661 0.19341539256661 0.16386793311211 15.999 > 11 12 O 0.30658460743339 0.69341539256661 0.66386793311211 15.999 > 12 *13 Ga 0.00000000000000 0.00000000000000 0.33459910277914 69.723 > 13 14 Ga 0.50000000000000 0.50000000000000 0.83459910277914 69.723 > 14 15 Ga 0.50000000000000 0.50000000000000 0.16540089722086 69.723 > 15 16 Ga 0.00000000000000 0.00000000000000 0.66540089722086 69.723 > 16 *17 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 17 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.138773660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.138773660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.062653200000000 Atomic positions (fractional): *1 O 0.40329230371670 0.40329230371670 0.41806603344394 15.999 > 1 2 O 0.90329230371670 0.40329230371670 0.41806603344394 15.999 > 1 3 O 0.40329230371670 0.90329230371670 0.41806603344394 15.999 > 1 4 O 0.90329230371670 0.90329230371670 0.41806603344394 15.999 > 1 5 O 0.40329230371670 0.40329230371670 0.91806603344394 15.999 > 1 6 O 0.90329230371670 0.40329230371670 0.91806603344394 15.999 > 1 7 O 0.40329230371670 0.90329230371670 0.91806603344394 15.999 > 1 8 O 0.90329230371670 0.90329230371670 0.91806603344394 15.999 > 1 9 O 0.09670769628330 0.09670769628330 0.41806603344394 15.999 > 2 10 O 0.59670769628330 0.09670769628330 0.41806603344394 15.999 > 2 11 O 0.09670769628330 0.59670769628330 0.41806603344394 15.999 > 2 12 O 0.59670769628330 0.59670769628330 0.41806603344394 15.999 > 2 13 O 0.09670769628330 0.09670769628330 0.91806603344394 15.999 > 2 14 O 0.59670769628330 0.09670769628330 0.91806603344394 15.999 > 2 15 O 0.09670769628330 0.59670769628330 0.91806603344394 15.999 > 2 16 O 0.59670769628330 0.59670769628330 0.91806603344394 15.999 > 2 17 O 0.40329230371670 0.40329230371670 0.08193396655606 15.999 > 3 18 O 0.90329230371670 0.40329230371670 0.08193396655606 15.999 > 3 19 O 0.40329230371670 0.90329230371670 0.08193396655606 15.999 > 3 20 O 0.90329230371670 0.90329230371670 0.08193396655606 15.999 > 3 21 O 0.40329230371670 0.40329230371670 0.58193396655606 15.999 > 3 22 O 0.90329230371670 0.40329230371670 0.58193396655606 15.999 > 3 23 O 0.40329230371670 0.90329230371670 0.58193396655606 15.999 > 3 24 O 0.90329230371670 0.90329230371670 0.58193396655606 15.999 > 3 25 O 0.15329230371670 0.34670769628330 0.16806603344394 15.999 > 4 26 O 0.65329230371670 0.34670769628330 0.16806603344394 15.999 > 4 27 O 0.15329230371670 0.84670769628330 0.16806603344394 15.999 > 4 28 O 0.65329230371670 0.84670769628330 0.16806603344394 15.999 > 4 29 O 0.15329230371670 0.34670769628330 0.66806603344394 15.999 > 4 30 O 0.65329230371670 0.34670769628330 0.66806603344394 15.999 > 4 31 O 0.15329230371670 0.84670769628330 0.66806603344394 15.999 > 4 32 O 0.65329230371670 0.84670769628330 0.66806603344394 15.999 > 4 33 O 0.34670769628330 0.15329230371670 0.16806603344394 15.999 > 5 34 O 0.84670769628330 0.15329230371670 0.16806603344394 15.999 > 5 35 O 0.34670769628330 0.65329230371670 0.16806603344394 15.999 > 5 36 O 0.84670769628330 0.65329230371670 0.16806603344394 15.999 > 5 37 O 0.34670769628330 0.15329230371670 0.66806603344394 15.999 > 5 38 O 0.84670769628330 0.15329230371670 0.66806603344394 15.999 > 5 39 O 0.34670769628330 0.65329230371670 0.66806603344394 15.999 > 5 40 O 0.84670769628330 0.65329230371670 0.66806603344394 15.999 > 5 41 O 0.34670769628330 0.15329230371670 0.33193396655606 15.999 > 6 42 O 0.84670769628330 0.15329230371670 0.33193396655606 15.999 > 6 43 O 0.34670769628330 0.65329230371670 0.33193396655606 15.999 > 6 44 O 0.84670769628330 0.65329230371670 0.33193396655606 15.999 > 6 45 O 0.34670769628330 0.15329230371670 0.83193396655606 15.999 > 6 46 O 0.84670769628330 0.15329230371670 0.83193396655606 15.999 > 6 47 O 0.34670769628330 0.65329230371670 0.83193396655606 15.999 > 6 48 O 0.84670769628330 0.65329230371670 0.83193396655606 15.999 > 6 *49 O 0.15093559417500 0.34906440582500 0.00000000000000 15.999 > 7 50 O 0.65093559417500 0.34906440582500 0.00000000000000 15.999 > 7 51 O 0.15093559417500 0.84906440582500 0.00000000000000 15.999 > 7 52 O 0.65093559417500 0.84906440582500 0.00000000000000 15.999 > 7 53 O 0.15093559417500 0.34906440582500 0.50000000000000 15.999 > 7 54 O 0.65093559417500 0.34906440582500 0.50000000000000 15.999 > 7 55 O 0.15093559417500 0.84906440582500 0.50000000000000 15.999 > 7 56 O 0.65093559417500 0.84906440582500 0.50000000000000 15.999 > 7 57 O 0.40093559417500 0.40093559417500 0.25000000000000 15.999 > 8 58 O 0.90093559417500 0.40093559417500 0.25000000000000 15.999 > 8 59 O 0.40093559417500 0.90093559417500 0.25000000000000 15.999 > 8 60 O 0.90093559417500 0.90093559417500 0.25000000000000 15.999 > 8 61 O 0.40093559417500 0.40093559417500 0.75000000000000 15.999 > 8 62 O 0.90093559417500 0.40093559417500 0.75000000000000 15.999 > 8 63 O 0.40093559417500 0.90093559417500 0.75000000000000 15.999 > 8 64 O 0.90093559417500 0.90093559417500 0.75000000000000 15.999 > 8 65 O 0.09906440582500 0.09906440582500 0.25000000000000 15.999 > 9 66 O 0.59906440582500 0.09906440582500 0.25000000000000 15.999 > 9 67 O 0.09906440582500 0.59906440582500 0.25000000000000 15.999 > 9 68 O 0.59906440582500 0.59906440582500 0.25000000000000 15.999 > 9 69 O 0.09906440582500 0.09906440582500 0.75000000000000 15.999 > 9 70 O 0.59906440582500 0.09906440582500 0.75000000000000 15.999 > 9 71 O 0.09906440582500 0.59906440582500 0.75000000000000 15.999 > 9 72 O 0.59906440582500 0.59906440582500 0.75000000000000 15.999 > 9 73 O 0.34906440582500 0.15093559417500 0.00000000000000 15.999 > 10 74 O 0.84906440582500 0.15093559417500 0.00000000000000 15.999 > 10 75 O 0.34906440582500 0.65093559417500 0.00000000000000 15.999 > 10 76 O 0.84906440582500 0.65093559417500 0.00000000000000 15.999 > 10 77 O 0.34906440582500 0.15093559417500 0.50000000000000 15.999 > 10 78 O 0.84906440582500 0.15093559417500 0.50000000000000 15.999 > 10 79 O 0.34906440582500 0.65093559417500 0.50000000000000 15.999 > 10 80 O 0.84906440582500 0.65093559417500 0.50000000000000 15.999 > 10 81 O 0.09670769628330 0.09670769628330 0.08193396655606 15.999 > 11 82 O 0.59670769628330 0.09670769628330 0.08193396655606 15.999 > 11 83 O 0.09670769628330 0.59670769628330 0.08193396655606 15.999 > 11 84 O 0.59670769628330 0.59670769628330 0.08193396655606 15.999 > 11 85 O 0.09670769628330 0.09670769628330 0.58193396655606 15.999 > 11 86 O 0.59670769628330 0.09670769628330 0.58193396655606 15.999 > 11 87 O 0.09670769628330 0.59670769628330 0.58193396655606 15.999 > 11 88 O 0.59670769628330 0.59670769628330 0.58193396655606 15.999 > 11 89 O 0.15329230371670 0.34670769628330 0.33193396655606 15.999 > 12 90 O 0.65329230371670 0.34670769628330 0.33193396655606 15.999 > 12 91 O 0.15329230371670 0.84670769628330 0.33193396655606 15.999 > 12 92 O 0.65329230371670 0.84670769628330 0.33193396655606 15.999 > 12 93 O 0.15329230371670 0.34670769628330 0.83193396655606 15.999 > 12 94 O 0.65329230371670 0.34670769628330 0.83193396655606 15.999 > 12 95 O 0.15329230371670 0.84670769628330 0.83193396655606 15.999 > 12 96 O 0.65329230371670 0.84670769628330 0.83193396655606 15.999 > 12 *97 Ga 0.00000000000000 0.00000000000000 0.16729955138957 69.723 > 13 98 Ga 0.50000000000000 0.00000000000000 0.16729955138957 69.723 > 13 99 Ga 0.00000000000000 0.50000000000000 0.16729955138957 69.723 > 13 100 Ga 0.50000000000000 0.50000000000000 0.16729955138957 69.723 > 13 101 Ga 0.00000000000000 0.00000000000000 0.66729955138957 69.723 > 13 102 Ga 0.50000000000000 0.00000000000000 0.66729955138957 69.723 > 13 103 Ga 0.00000000000000 0.50000000000000 0.66729955138957 69.723 > 13 104 Ga 0.50000000000000 0.50000000000000 0.66729955138957 69.723 > 13 105 Ga 0.25000000000000 0.25000000000000 0.41729955138957 69.723 > 14 106 Ga 0.75000000000000 0.25000000000000 0.41729955138957 69.723 > 14 107 Ga 0.25000000000000 0.75000000000000 0.41729955138957 69.723 > 14 108 Ga 0.75000000000000 0.75000000000000 0.41729955138957 69.723 > 14 109 Ga 0.25000000000000 0.25000000000000 0.91729955138957 69.723 > 14 110 Ga 0.75000000000000 0.25000000000000 0.91729955138957 69.723 > 14 111 Ga 0.25000000000000 0.75000000000000 0.91729955138957 69.723 > 14 112 Ga 0.75000000000000 0.75000000000000 0.91729955138957 69.723 > 14 113 Ga 0.25000000000000 0.25000000000000 0.08270044861043 69.723 > 15 114 Ga 0.75000000000000 0.25000000000000 0.08270044861043 69.723 > 15 115 Ga 0.25000000000000 0.75000000000000 0.08270044861043 69.723 > 15 116 Ga 0.75000000000000 0.75000000000000 0.08270044861043 69.723 > 15 117 Ga 0.25000000000000 0.25000000000000 0.58270044861043 69.723 > 15 118 Ga 0.75000000000000 0.25000000000000 0.58270044861043 69.723 > 15 119 Ga 0.25000000000000 0.75000000000000 0.58270044861043 69.723 > 15 120 Ga 0.75000000000000 0.75000000000000 0.58270044861043 69.723 > 15 121 Ga 0.00000000000000 0.00000000000000 0.33270044861043 69.723 > 16 122 Ga 0.50000000000000 0.00000000000000 0.33270044861043 69.723 > 16 123 Ga 0.00000000000000 0.50000000000000 0.33270044861043 69.723 > 16 124 Ga 0.50000000000000 0.50000000000000 0.33270044861043 69.723 > 16 125 Ga 0.00000000000000 0.00000000000000 0.83270044861043 69.723 > 16 126 Ga 0.50000000000000 0.00000000000000 0.83270044861043 69.723 > 16 127 Ga 0.00000000000000 0.50000000000000 0.83270044861043 69.723 > 16 128 Ga 0.50000000000000 0.50000000000000 0.83270044861043 69.723 > 16 *129 Te 0.25000000000000 0.25000000000000 0.25000000000000 127.600 > 17 130 Te 0.75000000000000 0.25000000000000 0.25000000000000 127.600 > 17 131 Te 0.25000000000000 0.75000000000000 0.25000000000000 127.600 > 17 132 Te 0.75000000000000 0.75000000000000 0.25000000000000 127.600 > 17 133 Te 0.25000000000000 0.25000000000000 0.75000000000000 127.600 > 17 134 Te 0.75000000000000 0.25000000000000 0.75000000000000 127.600 > 17 135 Te 0.25000000000000 0.75000000000000 0.75000000000000 127.600 > 17 136 Te 0.75000000000000 0.75000000000000 0.75000000000000 127.600 > 17 137 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 18 138 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 18 139 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 18 140 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 18 141 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 18 142 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 18 143 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 18 144 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6861145 0.0000000 0.0000000 0.0000000 4.6861145 0.0000000 0.0000000 0.0000000 4.8100236 -------------------------- Born effective charges -------------------------- 1 O -1.8657910 -0.6062233 -0.1544640 -0.6062233 -1.8657910 -0.1544640 -0.0800722 -0.0800722 -2.2467519 2 O -1.8657910 -0.6062233 0.1544640 -0.6062233 -1.8657910 0.1544640 0.0800722 0.0800722 -2.2467519 3 O -1.8657910 -0.6062233 0.1544640 -0.6062233 -1.8657910 0.1544640 0.0800722 0.0800722 -2.2467519 4 O -1.8657910 0.6062233 -0.1544640 0.6062233 -1.8657910 0.1544640 -0.0800722 0.0800722 -2.2467519 5 O -1.8657910 0.6062233 0.1544640 0.6062233 -1.8657910 -0.1544640 0.0800722 -0.0800722 -2.2467519 6 O -1.8657910 0.6062233 -0.1544640 0.6062233 -1.8657910 0.1544640 -0.0800722 0.0800722 -2.2467519 7 O -2.2112499 0.9626874 0.0000000 0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 8 O -2.2112499 -0.9626874 0.0000000 -0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 9 O -2.2112499 -0.9626874 0.0000000 -0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 10 O -2.2112499 0.9626874 0.0000000 0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 11 O -1.8657910 -0.6062233 -0.1544640 -0.6062233 -1.8657910 -0.1544640 -0.0800722 -0.0800722 -2.2467519 12 O -1.8657910 0.6062233 0.1544640 0.6062233 -1.8657910 -0.1544640 0.0800722 -0.0800722 -2.2467519 13 Ga 3.3896332 -0.4195334 0.0000000 -0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 14 Ga 3.3896332 0.4195334 0.0000000 0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 15 Ga 3.3896332 0.4195334 0.0000000 0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 16 Ga 3.3896332 -0.4195334 0.0000000 -0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 17 Te 5.1063977 0.7428734 0.0000000 0.7428734 5.1063977 0.0000000 0.0000000 0.0000000 5.4058863 18 Te 5.1063977 -0.7428734 0.0000000 -0.7428734 5.1063977 0.0000000 0.0000000 0.0000000 5.4058863 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 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: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.301 Solver_block: 160 / 160 - Time: 0.217 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.534 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 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: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:41:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:41:45]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.569386830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.569386830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031326600000000 Atomic positions (fractional): 1 O 0.80658460743339 0.80658460743339 0.83613206688789 15.999 2 O 0.19341539256661 0.19341539256661 0.83613206688789 15.999 3 O 0.80658460743339 0.80658460743339 0.16386793311211 15.999 4 O 0.30658460743339 0.69341539256661 0.33613206688789 15.999 5 O 0.69341539256661 0.30658460743339 0.33613206688789 15.999 6 O 0.69341539256661 0.30658460743339 0.66386793311211 15.999 7 O 0.30187118835001 0.69812881164999 0.00000000000000 15.999 8 O 0.80187118835001 0.80187118835001 0.50000000000000 15.999 9 O 0.19812881164999 0.19812881164999 0.50000000000000 15.999 10 O 0.69812881164999 0.30187118835001 0.00000000000000 15.999 11 O 0.19341539256661 0.19341539256661 0.16386793311211 15.999 12 O 0.30658460743339 0.69341539256661 0.66386793311211 15.999 13 Ga 0.00000000000000 0.00000000000000 0.33459910277914 69.723 14 Ga 0.50000000000000 0.50000000000000 0.83459910277914 69.723 15 Ga 0.50000000000000 0.50000000000000 0.16540089722086 69.723 16 Ga 0.00000000000000 0.00000000000000 0.66540089722086 69.723 17 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.138773660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.138773660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.062653200000000 Atomic positions (fractional): 1 O 0.40329230371670 0.40329230371670 0.41806603344394 15.999 > 1 2 O 0.90329230371670 0.40329230371670 0.41806603344394 15.999 > 1 3 O 0.40329230371670 0.90329230371670 0.41806603344394 15.999 > 1 4 O 0.90329230371670 0.90329230371670 0.41806603344394 15.999 > 1 5 O 0.40329230371670 0.40329230371670 0.91806603344394 15.999 > 1 6 O 0.90329230371670 0.40329230371670 0.91806603344394 15.999 > 1 7 O 0.40329230371670 0.90329230371670 0.91806603344394 15.999 > 1 8 O 0.90329230371670 0.90329230371670 0.91806603344394 15.999 > 1 9 O 0.09670769628330 0.09670769628330 0.41806603344394 15.999 > 9 10 O 0.59670769628330 0.09670769628330 0.41806603344394 15.999 > 9 11 O 0.09670769628330 0.59670769628330 0.41806603344394 15.999 > 9 12 O 0.59670769628330 0.59670769628330 0.41806603344394 15.999 > 9 13 O 0.09670769628330 0.09670769628330 0.91806603344394 15.999 > 9 14 O 0.59670769628330 0.09670769628330 0.91806603344394 15.999 > 9 15 O 0.09670769628330 0.59670769628330 0.91806603344394 15.999 > 9 16 O 0.59670769628330 0.59670769628330 0.91806603344394 15.999 > 9 17 O 0.40329230371670 0.40329230371670 0.08193396655606 15.999 > 17 18 O 0.90329230371670 0.40329230371670 0.08193396655606 15.999 > 17 19 O 0.40329230371670 0.90329230371670 0.08193396655606 15.999 > 17 20 O 0.90329230371670 0.90329230371670 0.08193396655606 15.999 > 17 21 O 0.40329230371670 0.40329230371670 0.58193396655606 15.999 > 17 22 O 0.90329230371670 0.40329230371670 0.58193396655606 15.999 > 17 23 O 0.40329230371670 0.90329230371670 0.58193396655606 15.999 > 17 24 O 0.90329230371670 0.90329230371670 0.58193396655606 15.999 > 17 25 O 0.15329230371670 0.34670769628330 0.16806603344394 15.999 > 25 26 O 0.65329230371670 0.34670769628330 0.16806603344394 15.999 > 25 27 O 0.15329230371670 0.84670769628330 0.16806603344394 15.999 > 25 28 O 0.65329230371670 0.84670769628330 0.16806603344394 15.999 > 25 29 O 0.15329230371670 0.34670769628330 0.66806603344394 15.999 > 25 30 O 0.65329230371670 0.34670769628330 0.66806603344394 15.999 > 25 31 O 0.15329230371670 0.84670769628330 0.66806603344394 15.999 > 25 32 O 0.65329230371670 0.84670769628330 0.66806603344394 15.999 > 25 33 O 0.34670769628330 0.15329230371670 0.16806603344394 15.999 > 33 34 O 0.84670769628330 0.15329230371670 0.16806603344394 15.999 > 33 35 O 0.34670769628330 0.65329230371670 0.16806603344394 15.999 > 33 36 O 0.84670769628330 0.65329230371670 0.16806603344394 15.999 > 33 37 O 0.34670769628330 0.15329230371670 0.66806603344394 15.999 > 33 38 O 0.84670769628330 0.15329230371670 0.66806603344394 15.999 > 33 39 O 0.34670769628330 0.65329230371670 0.66806603344394 15.999 > 33 40 O 0.84670769628330 0.65329230371670 0.66806603344394 15.999 > 33 41 O 0.34670769628330 0.15329230371670 0.33193396655606 15.999 > 41 42 O 0.84670769628330 0.15329230371670 0.33193396655606 15.999 > 41 43 O 0.34670769628330 0.65329230371670 0.33193396655606 15.999 > 41 44 O 0.84670769628330 0.65329230371670 0.33193396655606 15.999 > 41 45 O 0.34670769628330 0.15329230371670 0.83193396655606 15.999 > 41 46 O 0.84670769628330 0.15329230371670 0.83193396655606 15.999 > 41 47 O 0.34670769628330 0.65329230371670 0.83193396655606 15.999 > 41 48 O 0.84670769628330 0.65329230371670 0.83193396655606 15.999 > 41 49 O 0.15093559417500 0.34906440582500 0.00000000000000 15.999 > 49 50 O 0.65093559417500 0.34906440582500 0.00000000000000 15.999 > 49 51 O 0.15093559417500 0.84906440582500 0.00000000000000 15.999 > 49 52 O 0.65093559417500 0.84906440582500 0.00000000000000 15.999 > 49 53 O 0.15093559417500 0.34906440582500 0.50000000000000 15.999 > 49 54 O 0.65093559417500 0.34906440582500 0.50000000000000 15.999 > 49 55 O 0.15093559417500 0.84906440582500 0.50000000000000 15.999 > 49 56 O 0.65093559417500 0.84906440582500 0.50000000000000 15.999 > 49 57 O 0.40093559417500 0.40093559417500 0.25000000000000 15.999 > 57 58 O 0.90093559417500 0.40093559417500 0.25000000000000 15.999 > 57 59 O 0.40093559417500 0.90093559417500 0.25000000000000 15.999 > 57 60 O 0.90093559417500 0.90093559417500 0.25000000000000 15.999 > 57 61 O 0.40093559417500 0.40093559417500 0.75000000000000 15.999 > 57 62 O 0.90093559417500 0.40093559417500 0.75000000000000 15.999 > 57 63 O 0.40093559417500 0.90093559417500 0.75000000000000 15.999 > 57 64 O 0.90093559417500 0.90093559417500 0.75000000000000 15.999 > 57 65 O 0.09906440582500 0.09906440582500 0.25000000000000 15.999 > 65 66 O 0.59906440582500 0.09906440582500 0.25000000000000 15.999 > 65 67 O 0.09906440582500 0.59906440582500 0.25000000000000 15.999 > 65 68 O 0.59906440582500 0.59906440582500 0.25000000000000 15.999 > 65 69 O 0.09906440582500 0.09906440582500 0.75000000000000 15.999 > 65 70 O 0.59906440582500 0.09906440582500 0.75000000000000 15.999 > 65 71 O 0.09906440582500 0.59906440582500 0.75000000000000 15.999 > 65 72 O 0.59906440582500 0.59906440582500 0.75000000000000 15.999 > 65 73 O 0.34906440582500 0.15093559417500 0.00000000000000 15.999 > 73 74 O 0.84906440582500 0.15093559417500 0.00000000000000 15.999 > 73 75 O 0.34906440582500 0.65093559417500 0.00000000000000 15.999 > 73 76 O 0.84906440582500 0.65093559417500 0.00000000000000 15.999 > 73 77 O 0.34906440582500 0.15093559417500 0.50000000000000 15.999 > 73 78 O 0.84906440582500 0.15093559417500 0.50000000000000 15.999 > 73 79 O 0.34906440582500 0.65093559417500 0.50000000000000 15.999 > 73 80 O 0.84906440582500 0.65093559417500 0.50000000000000 15.999 > 73 81 O 0.09670769628330 0.09670769628330 0.08193396655606 15.999 > 81 82 O 0.59670769628330 0.09670769628330 0.08193396655606 15.999 > 81 83 O 0.09670769628330 0.59670769628330 0.08193396655606 15.999 > 81 84 O 0.59670769628330 0.59670769628330 0.08193396655606 15.999 > 81 85 O 0.09670769628330 0.09670769628330 0.58193396655606 15.999 > 81 86 O 0.59670769628330 0.09670769628330 0.58193396655606 15.999 > 81 87 O 0.09670769628330 0.59670769628330 0.58193396655606 15.999 > 81 88 O 0.59670769628330 0.59670769628330 0.58193396655606 15.999 > 81 89 O 0.15329230371670 0.34670769628330 0.33193396655606 15.999 > 89 90 O 0.65329230371670 0.34670769628330 0.33193396655606 15.999 > 89 91 O 0.15329230371670 0.84670769628330 0.33193396655606 15.999 > 89 92 O 0.65329230371670 0.84670769628330 0.33193396655606 15.999 > 89 93 O 0.15329230371670 0.34670769628330 0.83193396655606 15.999 > 89 94 O 0.65329230371670 0.34670769628330 0.83193396655606 15.999 > 89 95 O 0.15329230371670 0.84670769628330 0.83193396655606 15.999 > 89 96 O 0.65329230371670 0.84670769628330 0.83193396655606 15.999 > 89 97 Ga 0.00000000000000 0.00000000000000 0.16729955138957 69.723 > 97 98 Ga 0.50000000000000 0.00000000000000 0.16729955138957 69.723 > 97 99 Ga 0.00000000000000 0.50000000000000 0.16729955138957 69.723 > 97 100 Ga 0.50000000000000 0.50000000000000 0.16729955138957 69.723 > 97 101 Ga 0.00000000000000 0.00000000000000 0.66729955138957 69.723 > 97 102 Ga 0.50000000000000 0.00000000000000 0.66729955138957 69.723 > 97 103 Ga 0.00000000000000 0.50000000000000 0.66729955138957 69.723 > 97 104 Ga 0.50000000000000 0.50000000000000 0.66729955138957 69.723 > 97 105 Ga 0.25000000000000 0.25000000000000 0.41729955138957 69.723 > 105 106 Ga 0.75000000000000 0.25000000000000 0.41729955138957 69.723 > 105 107 Ga 0.25000000000000 0.75000000000000 0.41729955138957 69.723 > 105 108 Ga 0.75000000000000 0.75000000000000 0.41729955138957 69.723 > 105 109 Ga 0.25000000000000 0.25000000000000 0.91729955138957 69.723 > 105 110 Ga 0.75000000000000 0.25000000000000 0.91729955138957 69.723 > 105 111 Ga 0.25000000000000 0.75000000000000 0.91729955138957 69.723 > 105 112 Ga 0.75000000000000 0.75000000000000 0.91729955138957 69.723 > 105 113 Ga 0.25000000000000 0.25000000000000 0.08270044861043 69.723 > 113 114 Ga 0.75000000000000 0.25000000000000 0.08270044861043 69.723 > 113 115 Ga 0.25000000000000 0.75000000000000 0.08270044861043 69.723 > 113 116 Ga 0.75000000000000 0.75000000000000 0.08270044861043 69.723 > 113 117 Ga 0.25000000000000 0.25000000000000 0.58270044861043 69.723 > 113 118 Ga 0.75000000000000 0.25000000000000 0.58270044861043 69.723 > 113 119 Ga 0.25000000000000 0.75000000000000 0.58270044861043 69.723 > 113 120 Ga 0.75000000000000 0.75000000000000 0.58270044861043 69.723 > 113 121 Ga 0.00000000000000 0.00000000000000 0.33270044861043 69.723 > 121 122 Ga 0.50000000000000 0.00000000000000 0.33270044861043 69.723 > 121 123 Ga 0.00000000000000 0.50000000000000 0.33270044861043 69.723 > 121 124 Ga 0.50000000000000 0.50000000000000 0.33270044861043 69.723 > 121 125 Ga 0.00000000000000 0.00000000000000 0.83270044861043 69.723 > 121 126 Ga 0.50000000000000 0.00000000000000 0.83270044861043 69.723 > 121 127 Ga 0.00000000000000 0.50000000000000 0.83270044861043 69.723 > 121 128 Ga 0.50000000000000 0.50000000000000 0.83270044861043 69.723 > 121 129 Te 0.25000000000000 0.25000000000000 0.25000000000000 127.600 > 129 130 Te 0.75000000000000 0.25000000000000 0.25000000000000 127.600 > 129 131 Te 0.25000000000000 0.75000000000000 0.25000000000000 127.600 > 129 132 Te 0.75000000000000 0.75000000000000 0.25000000000000 127.600 > 129 133 Te 0.25000000000000 0.25000000000000 0.75000000000000 127.600 > 129 134 Te 0.75000000000000 0.25000000000000 0.75000000000000 127.600 > 129 135 Te 0.25000000000000 0.75000000000000 0.75000000000000 127.600 > 129 136 Te 0.75000000000000 0.75000000000000 0.75000000000000 127.600 > 129 137 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 137 138 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 137 139 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 137 140 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 137 141 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 137 142 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 137 143 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 137 144 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6861145 0.0000000 0.0000000 0.0000000 4.6861145 0.0000000 0.0000000 0.0000000 4.8100236 -------------------------- Born effective charges -------------------------- 1 O -1.8657910 -0.6062233 -0.1544640 -0.6062233 -1.8657910 -0.1544640 -0.0800722 -0.0800722 -2.2467519 2 O -1.8657910 -0.6062233 0.1544640 -0.6062233 -1.8657910 0.1544640 0.0800722 0.0800722 -2.2467519 3 O -1.8657910 -0.6062233 0.1544640 -0.6062233 -1.8657910 0.1544640 0.0800722 0.0800722 -2.2467519 4 O -1.8657910 0.6062233 -0.1544640 0.6062233 -1.8657910 0.1544640 -0.0800722 0.0800722 -2.2467519 5 O -1.8657910 0.6062233 0.1544640 0.6062233 -1.8657910 -0.1544640 0.0800722 -0.0800722 -2.2467519 6 O -1.8657910 0.6062233 -0.1544640 0.6062233 -1.8657910 0.1544640 -0.0800722 0.0800722 -2.2467519 7 O -2.2112499 0.9626874 0.0000000 0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 8 O -2.2112499 -0.9626874 0.0000000 -0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 9 O -2.2112499 -0.9626874 0.0000000 -0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 10 O -2.2112499 0.9626874 0.0000000 0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 11 O -1.8657910 -0.6062233 -0.1544640 -0.6062233 -1.8657910 -0.1544640 -0.0800722 -0.0800722 -2.2467519 12 O -1.8657910 0.6062233 0.1544640 0.6062233 -1.8657910 -0.1544640 0.0800722 -0.0800722 -2.2467519 13 Ga 3.3896332 -0.4195334 0.0000000 -0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 14 Ga 3.3896332 0.4195334 0.0000000 0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 15 Ga 3.3896332 0.4195334 0.0000000 0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 16 Ga 3.3896332 -0.4195334 0.0000000 -0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 17 Te 5.1063977 0.7428734 0.0000000 0.7428734 5.1063977 0.0000000 0.0000000 0.0000000 5.4058863 18 Te 5.1063977 -0.7428734 0.0000000 -0.7428734 5.1063977 0.0000000 0.0000000 0.0000000 5.4058863 ---------------------------------------------------------------------------- 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[ 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[ 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] Computing fc3[ 129, 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: -0.00000020 (xzy) -0.00000020 (xzy) -0.00000020 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:42:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:42:02]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.569386830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.569386830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031326600000000 Atomic positions (fractional): 1 O 0.80658460743339 0.80658460743339 0.83613206688789 15.999 2 O 0.19341539256661 0.19341539256661 0.83613206688789 15.999 3 O 0.80658460743339 0.80658460743339 0.16386793311211 15.999 4 O 0.30658460743339 0.69341539256661 0.33613206688789 15.999 5 O 0.69341539256661 0.30658460743339 0.33613206688789 15.999 6 O 0.69341539256661 0.30658460743339 0.66386793311211 15.999 7 O 0.30187118835001 0.69812881164999 0.00000000000000 15.999 8 O 0.80187118835001 0.80187118835001 0.50000000000000 15.999 9 O 0.19812881164999 0.19812881164999 0.50000000000000 15.999 10 O 0.69812881164999 0.30187118835001 0.00000000000000 15.999 11 O 0.19341539256661 0.19341539256661 0.16386793311211 15.999 12 O 0.30658460743339 0.69341539256661 0.66386793311211 15.999 13 Ga 0.00000000000000 0.00000000000000 0.33459910277914 69.723 14 Ga 0.50000000000000 0.50000000000000 0.83459910277914 69.723 15 Ga 0.50000000000000 0.50000000000000 0.16540089722086 69.723 16 Ga 0.00000000000000 0.00000000000000 0.66540089722086 69.723 17 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 18 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.138773660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.138773660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.062653200000000 Atomic positions (fractional): 1 O 0.40329230371670 0.40329230371670 0.41806603344394 15.999 > 1 2 O 0.90329230371670 0.40329230371670 0.41806603344394 15.999 > 1 3 O 0.40329230371670 0.90329230371670 0.41806603344394 15.999 > 1 4 O 0.90329230371670 0.90329230371670 0.41806603344394 15.999 > 1 5 O 0.40329230371670 0.40329230371670 0.91806603344394 15.999 > 1 6 O 0.90329230371670 0.40329230371670 0.91806603344394 15.999 > 1 7 O 0.40329230371670 0.90329230371670 0.91806603344394 15.999 > 1 8 O 0.90329230371670 0.90329230371670 0.91806603344394 15.999 > 1 9 O 0.09670769628330 0.09670769628330 0.41806603344394 15.999 > 9 10 O 0.59670769628330 0.09670769628330 0.41806603344394 15.999 > 9 11 O 0.09670769628330 0.59670769628330 0.41806603344394 15.999 > 9 12 O 0.59670769628330 0.59670769628330 0.41806603344394 15.999 > 9 13 O 0.09670769628330 0.09670769628330 0.91806603344394 15.999 > 9 14 O 0.59670769628330 0.09670769628330 0.91806603344394 15.999 > 9 15 O 0.09670769628330 0.59670769628330 0.91806603344394 15.999 > 9 16 O 0.59670769628330 0.59670769628330 0.91806603344394 15.999 > 9 17 O 0.40329230371670 0.40329230371670 0.08193396655606 15.999 > 17 18 O 0.90329230371670 0.40329230371670 0.08193396655606 15.999 > 17 19 O 0.40329230371670 0.90329230371670 0.08193396655606 15.999 > 17 20 O 0.90329230371670 0.90329230371670 0.08193396655606 15.999 > 17 21 O 0.40329230371670 0.40329230371670 0.58193396655606 15.999 > 17 22 O 0.90329230371670 0.40329230371670 0.58193396655606 15.999 > 17 23 O 0.40329230371670 0.90329230371670 0.58193396655606 15.999 > 17 24 O 0.90329230371670 0.90329230371670 0.58193396655606 15.999 > 17 25 O 0.15329230371670 0.34670769628330 0.16806603344394 15.999 > 25 26 O 0.65329230371670 0.34670769628330 0.16806603344394 15.999 > 25 27 O 0.15329230371670 0.84670769628330 0.16806603344394 15.999 > 25 28 O 0.65329230371670 0.84670769628330 0.16806603344394 15.999 > 25 29 O 0.15329230371670 0.34670769628330 0.66806603344394 15.999 > 25 30 O 0.65329230371670 0.34670769628330 0.66806603344394 15.999 > 25 31 O 0.15329230371670 0.84670769628330 0.66806603344394 15.999 > 25 32 O 0.65329230371670 0.84670769628330 0.66806603344394 15.999 > 25 33 O 0.34670769628330 0.15329230371670 0.16806603344394 15.999 > 33 34 O 0.84670769628330 0.15329230371670 0.16806603344394 15.999 > 33 35 O 0.34670769628330 0.65329230371670 0.16806603344394 15.999 > 33 36 O 0.84670769628330 0.65329230371670 0.16806603344394 15.999 > 33 37 O 0.34670769628330 0.15329230371670 0.66806603344394 15.999 > 33 38 O 0.84670769628330 0.15329230371670 0.66806603344394 15.999 > 33 39 O 0.34670769628330 0.65329230371670 0.66806603344394 15.999 > 33 40 O 0.84670769628330 0.65329230371670 0.66806603344394 15.999 > 33 41 O 0.34670769628330 0.15329230371670 0.33193396655606 15.999 > 41 42 O 0.84670769628330 0.15329230371670 0.33193396655606 15.999 > 41 43 O 0.34670769628330 0.65329230371670 0.33193396655606 15.999 > 41 44 O 0.84670769628330 0.65329230371670 0.33193396655606 15.999 > 41 45 O 0.34670769628330 0.15329230371670 0.83193396655606 15.999 > 41 46 O 0.84670769628330 0.15329230371670 0.83193396655606 15.999 > 41 47 O 0.34670769628330 0.65329230371670 0.83193396655606 15.999 > 41 48 O 0.84670769628330 0.65329230371670 0.83193396655606 15.999 > 41 49 O 0.15093559417500 0.34906440582500 0.00000000000000 15.999 > 49 50 O 0.65093559417500 0.34906440582500 0.00000000000000 15.999 > 49 51 O 0.15093559417500 0.84906440582500 0.00000000000000 15.999 > 49 52 O 0.65093559417500 0.84906440582500 0.00000000000000 15.999 > 49 53 O 0.15093559417500 0.34906440582500 0.50000000000000 15.999 > 49 54 O 0.65093559417500 0.34906440582500 0.50000000000000 15.999 > 49 55 O 0.15093559417500 0.84906440582500 0.50000000000000 15.999 > 49 56 O 0.65093559417500 0.84906440582500 0.50000000000000 15.999 > 49 57 O 0.40093559417500 0.40093559417500 0.25000000000000 15.999 > 57 58 O 0.90093559417500 0.40093559417500 0.25000000000000 15.999 > 57 59 O 0.40093559417500 0.90093559417500 0.25000000000000 15.999 > 57 60 O 0.90093559417500 0.90093559417500 0.25000000000000 15.999 > 57 61 O 0.40093559417500 0.40093559417500 0.75000000000000 15.999 > 57 62 O 0.90093559417500 0.40093559417500 0.75000000000000 15.999 > 57 63 O 0.40093559417500 0.90093559417500 0.75000000000000 15.999 > 57 64 O 0.90093559417500 0.90093559417500 0.75000000000000 15.999 > 57 65 O 0.09906440582500 0.09906440582500 0.25000000000000 15.999 > 65 66 O 0.59906440582500 0.09906440582500 0.25000000000000 15.999 > 65 67 O 0.09906440582500 0.59906440582500 0.25000000000000 15.999 > 65 68 O 0.59906440582500 0.59906440582500 0.25000000000000 15.999 > 65 69 O 0.09906440582500 0.09906440582500 0.75000000000000 15.999 > 65 70 O 0.59906440582500 0.09906440582500 0.75000000000000 15.999 > 65 71 O 0.09906440582500 0.59906440582500 0.75000000000000 15.999 > 65 72 O 0.59906440582500 0.59906440582500 0.75000000000000 15.999 > 65 73 O 0.34906440582500 0.15093559417500 0.00000000000000 15.999 > 73 74 O 0.84906440582500 0.15093559417500 0.00000000000000 15.999 > 73 75 O 0.34906440582500 0.65093559417500 0.00000000000000 15.999 > 73 76 O 0.84906440582500 0.65093559417500 0.00000000000000 15.999 > 73 77 O 0.34906440582500 0.15093559417500 0.50000000000000 15.999 > 73 78 O 0.84906440582500 0.15093559417500 0.50000000000000 15.999 > 73 79 O 0.34906440582500 0.65093559417500 0.50000000000000 15.999 > 73 80 O 0.84906440582500 0.65093559417500 0.50000000000000 15.999 > 73 81 O 0.09670769628330 0.09670769628330 0.08193396655606 15.999 > 81 82 O 0.59670769628330 0.09670769628330 0.08193396655606 15.999 > 81 83 O 0.09670769628330 0.59670769628330 0.08193396655606 15.999 > 81 84 O 0.59670769628330 0.59670769628330 0.08193396655606 15.999 > 81 85 O 0.09670769628330 0.09670769628330 0.58193396655606 15.999 > 81 86 O 0.59670769628330 0.09670769628330 0.58193396655606 15.999 > 81 87 O 0.09670769628330 0.59670769628330 0.58193396655606 15.999 > 81 88 O 0.59670769628330 0.59670769628330 0.58193396655606 15.999 > 81 89 O 0.15329230371670 0.34670769628330 0.33193396655606 15.999 > 89 90 O 0.65329230371670 0.34670769628330 0.33193396655606 15.999 > 89 91 O 0.15329230371670 0.84670769628330 0.33193396655606 15.999 > 89 92 O 0.65329230371670 0.84670769628330 0.33193396655606 15.999 > 89 93 O 0.15329230371670 0.34670769628330 0.83193396655606 15.999 > 89 94 O 0.65329230371670 0.34670769628330 0.83193396655606 15.999 > 89 95 O 0.15329230371670 0.84670769628330 0.83193396655606 15.999 > 89 96 O 0.65329230371670 0.84670769628330 0.83193396655606 15.999 > 89 97 Ga 0.00000000000000 0.00000000000000 0.16729955138957 69.723 > 97 98 Ga 0.50000000000000 0.00000000000000 0.16729955138957 69.723 > 97 99 Ga 0.00000000000000 0.50000000000000 0.16729955138957 69.723 > 97 100 Ga 0.50000000000000 0.50000000000000 0.16729955138957 69.723 > 97 101 Ga 0.00000000000000 0.00000000000000 0.66729955138957 69.723 > 97 102 Ga 0.50000000000000 0.00000000000000 0.66729955138957 69.723 > 97 103 Ga 0.00000000000000 0.50000000000000 0.66729955138957 69.723 > 97 104 Ga 0.50000000000000 0.50000000000000 0.66729955138957 69.723 > 97 105 Ga 0.25000000000000 0.25000000000000 0.41729955138957 69.723 > 105 106 Ga 0.75000000000000 0.25000000000000 0.41729955138957 69.723 > 105 107 Ga 0.25000000000000 0.75000000000000 0.41729955138957 69.723 > 105 108 Ga 0.75000000000000 0.75000000000000 0.41729955138957 69.723 > 105 109 Ga 0.25000000000000 0.25000000000000 0.91729955138957 69.723 > 105 110 Ga 0.75000000000000 0.25000000000000 0.91729955138957 69.723 > 105 111 Ga 0.25000000000000 0.75000000000000 0.91729955138957 69.723 > 105 112 Ga 0.75000000000000 0.75000000000000 0.91729955138957 69.723 > 105 113 Ga 0.25000000000000 0.25000000000000 0.08270044861043 69.723 > 113 114 Ga 0.75000000000000 0.25000000000000 0.08270044861043 69.723 > 113 115 Ga 0.25000000000000 0.75000000000000 0.08270044861043 69.723 > 113 116 Ga 0.75000000000000 0.75000000000000 0.08270044861043 69.723 > 113 117 Ga 0.25000000000000 0.25000000000000 0.58270044861043 69.723 > 113 118 Ga 0.75000000000000 0.25000000000000 0.58270044861043 69.723 > 113 119 Ga 0.25000000000000 0.75000000000000 0.58270044861043 69.723 > 113 120 Ga 0.75000000000000 0.75000000000000 0.58270044861043 69.723 > 113 121 Ga 0.00000000000000 0.00000000000000 0.33270044861043 69.723 > 121 122 Ga 0.50000000000000 0.00000000000000 0.33270044861043 69.723 > 121 123 Ga 0.00000000000000 0.50000000000000 0.33270044861043 69.723 > 121 124 Ga 0.50000000000000 0.50000000000000 0.33270044861043 69.723 > 121 125 Ga 0.00000000000000 0.00000000000000 0.83270044861043 69.723 > 121 126 Ga 0.50000000000000 0.00000000000000 0.83270044861043 69.723 > 121 127 Ga 0.00000000000000 0.50000000000000 0.83270044861043 69.723 > 121 128 Ga 0.50000000000000 0.50000000000000 0.83270044861043 69.723 > 121 129 Te 0.25000000000000 0.25000000000000 0.25000000000000 127.600 > 129 130 Te 0.75000000000000 0.25000000000000 0.25000000000000 127.600 > 129 131 Te 0.25000000000000 0.75000000000000 0.25000000000000 127.600 > 129 132 Te 0.75000000000000 0.75000000000000 0.25000000000000 127.600 > 129 133 Te 0.25000000000000 0.25000000000000 0.75000000000000 127.600 > 129 134 Te 0.75000000000000 0.25000000000000 0.75000000000000 127.600 > 129 135 Te 0.25000000000000 0.75000000000000 0.75000000000000 127.600 > 129 136 Te 0.75000000000000 0.75000000000000 0.75000000000000 127.600 > 129 137 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 137 138 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 137 139 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 137 140 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 137 141 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 137 142 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 137 143 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 137 144 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6861145 0.0000000 0.0000000 0.0000000 4.6861145 0.0000000 0.0000000 0.0000000 4.8100236 -------------------------- Born effective charges -------------------------- 1 O -1.8657910 -0.6062233 -0.1544640 -0.6062233 -1.8657910 -0.1544640 -0.0800722 -0.0800722 -2.2467519 2 O -1.8657910 -0.6062233 0.1544640 -0.6062233 -1.8657910 0.1544640 0.0800722 0.0800722 -2.2467519 3 O -1.8657910 -0.6062233 0.1544640 -0.6062233 -1.8657910 0.1544640 0.0800722 0.0800722 -2.2467519 4 O -1.8657910 0.6062233 -0.1544640 0.6062233 -1.8657910 0.1544640 -0.0800722 0.0800722 -2.2467519 5 O -1.8657910 0.6062233 0.1544640 0.6062233 -1.8657910 -0.1544640 0.0800722 -0.0800722 -2.2467519 6 O -1.8657910 0.6062233 -0.1544640 0.6062233 -1.8657910 0.1544640 -0.0800722 0.0800722 -2.2467519 7 O -2.2112499 0.9626874 0.0000000 0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 8 O -2.2112499 -0.9626874 0.0000000 -0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 9 O -2.2112499 -0.9626874 0.0000000 -0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 10 O -2.2112499 0.9626874 0.0000000 0.9626874 -2.2112499 0.0000000 0.0000000 0.0000000 -1.9237364 11 O -1.8657910 -0.6062233 -0.1544640 -0.6062233 -1.8657910 -0.1544640 -0.0800722 -0.0800722 -2.2467519 12 O -1.8657910 0.6062233 0.1544640 0.6062233 -1.8657910 -0.1544640 0.0800722 -0.0800722 -2.2467519 13 Ga 3.3896332 -0.4195334 0.0000000 -0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 14 Ga 3.3896332 0.4195334 0.0000000 0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 15 Ga 3.3896332 0.4195334 0.0000000 0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 16 Ga 3.3896332 -0.4195334 0.0000000 -0.4195334 3.3896332 0.0000000 0.0000000 0.0000000 3.7142970 17 Te 5.1063977 0.7428734 0.0000000 0.7428734 5.1063977 0.0000000 0.0000000 0.0000000 5.4058863 18 Te 5.1063977 -0.7428734 0.0000000 -0.7428734 5.1063977 0.0000000 0.0000000 0.0000000 5.4058863 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000020 (xzy) -0.00000020 (xzy) -0.00000020 (xyz) 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 ... [ 11 11 6 ] 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: 0.72, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 84 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 3.535 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 16.410 ( 0.000 0.000 0.000) 0.000 17.003 ( 0.000 0.000 0.000) 0.000 17.461 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 18.551 ( 0.000 0.000 0.000) 0.000 18.779 ( 0.000 0.000 0.000) 0.000 18.779 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 18.974 ( 0.000 0.000 0.000) 0.000 18.974 ( 0.000 0.000 0.000) 0.000 19.816 ( 0.000 0.000 0.000) 0.000 20.132 ( 0.000 0.000 0.000) 0.000 21.933 ( 0.000 0.000 0.000) 0.000 22.087 ( 0.000 0.000 0.000) 0.000 22.570 ( 0.000 0.000 0.000) 0.000 23.080 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 39.972 0.000 0.000) 39.972 1.025 ( 51.076 0.000 0.000) 51.076 1.288 ( 64.200 0.000 0.000) 64.200 3.580 ( 5.452 0.000 0.000) 5.452 3.583 ( 4.898 0.000 0.000) 4.898 3.777 ( 17.877 0.000 0.000) 17.877 3.941 ( -1.679 0.000 0.000) 1.679 3.984 ( 2.536 0.000 0.000) 2.536 5.053 ( -3.873 0.000 0.000) 3.873 5.670 ( 0.989 0.000 0.000) 0.989 6.199 ( -8.098 0.000 0.000) 8.098 6.203 ( -7.326 0.000 0.000) 7.326 6.549 ( 2.273 0.000 0.000) 2.273 6.949 ( -5.761 0.000 0.000) 5.761 7.442 ( -1.449 0.000 0.000) 1.449 7.492 ( 5.113 0.000 0.000) 5.113 7.712 ( -16.453 0.000 0.000) 16.453 7.725 ( 6.191 0.000 0.000) 6.191 8.318 ( -6.167 0.000 0.000) 6.167 8.332 ( -1.877 0.000 0.000) 1.877 8.387 ( 4.014 0.000 0.000) 4.014 8.662 ( 7.345 0.000 0.000) 7.345 8.839 ( 7.263 0.000 0.000) 7.263 9.104 ( 1.151 0.000 0.000) 1.151 9.307 ( 2.893 0.000 0.000) 2.893 9.596 ( -5.394 0.000 0.000) 5.394 9.680 ( -3.795 0.000 0.000) 3.795 10.929 ( -5.088 0.000 0.000) 5.088 11.203 ( -1.064 0.000 0.000) 1.064 11.664 ( -3.198 0.000 0.000) 3.198 12.943 ( -6.908 0.000 0.000) 6.908 12.969 ( -4.770 0.000 0.000) 4.770 14.069 ( 9.664 0.000 0.000) 9.664 15.106 ( -3.944 0.000 0.000) 3.944 15.153 ( 0.507 0.000 0.000) 0.507 15.248 ( -4.987 0.000 0.000) 4.987 15.492 ( -5.552 0.000 0.000) 5.552 16.383 ( -2.816 0.000 0.000) 2.816 16.917 ( -7.836 0.000 0.000) 7.836 17.319 ( -12.739 0.000 0.000) 12.739 17.669 ( -22.317 0.000 0.000) 22.317 17.932 ( -35.058 0.000 0.000) 35.058 18.455 ( 5.381 0.000 0.000) 5.381 18.764 ( -1.114 0.000 0.000) 1.114 18.885 ( 9.869 0.000 0.000) 9.869 19.057 ( 5.210 0.000 0.000) 5.210 19.380 ( 33.310 0.000 0.000) 33.310 19.797 ( -1.800 0.000 0.000) 1.800 20.341 ( 19.282 0.000 0.000) 19.282 21.932 ( -0.127 0.000 0.000) 0.127 22.026 ( -6.052 0.000 0.000) 6.052 22.430 ( 1.457 0.000 0.000) 1.457 22.586 ( 1.818 0.000 0.000) 1.818 23.078 ( -0.170 0.000 0.000) 0.170 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 37.818 0.000 0.000) 37.818 2.023 ( 49.006 0.000 0.000) 49.006 2.543 ( 61.601 0.000 0.000) 61.601 3.732 ( 10.238 0.000 0.000) 10.238 3.751 ( 11.656 0.000 0.000) 11.656 3.904 ( -1.574 0.000 0.000) 1.574 4.064 ( 5.628 0.000 0.000) 5.628 4.242 ( 27.233 0.000 0.000) 27.233 4.935 ( -7.948 0.000 0.000) 7.948 5.700 ( 1.873 0.000 0.000) 1.873 5.971 ( -14.518 0.000 0.000) 14.518 6.014 ( -11.220 0.000 0.000) 11.220 6.591 ( 1.529 0.000 0.000) 1.529 6.742 ( -15.558 0.000 0.000) 15.558 7.395 ( -13.729 0.000 0.000) 13.729 7.404 ( -2.156 0.000 0.000) 2.156 7.612 ( 5.352 0.000 0.000) 5.352 7.864 ( 7.071 0.000 0.000) 7.071 8.201 ( -4.735 0.000 0.000) 4.735 8.268 ( -4.819 0.000 0.000) 4.819 8.523 ( 9.751 0.000 0.000) 9.751 8.786 ( 3.624 0.000 0.000) 3.624 8.806 ( -9.041 0.000 0.000) 9.041 9.238 ( 9.451 0.000 0.000) 9.451 9.365 ( 0.619 0.000 0.000) 0.619 9.456 ( -6.542 0.000 0.000) 6.542 9.619 ( -0.577 0.000 0.000) 0.577 10.795 ( -7.887 0.000 0.000) 7.887 11.171 ( -2.099 0.000 0.000) 2.099 11.568 ( -6.481 0.000 0.000) 6.481 12.771 ( -9.793 0.000 0.000) 9.793 12.838 ( -8.163 0.000 0.000) 8.163 14.314 ( 14.314 0.000 0.000) 14.314 15.014 ( -4.644 0.000 0.000) 4.644 15.114 ( -8.020 0.000 0.000) 8.020 15.170 ( 1.254 0.000 0.000) 1.254 15.339 ( -9.487 0.000 0.000) 9.487 16.297 ( -5.905 0.000 0.000) 5.905 16.730 ( -10.124 0.000 0.000) 10.124 17.017 ( -16.460 0.000 0.000) 16.460 17.178 ( -24.899 0.000 0.000) 24.899 17.271 ( -30.835 0.000 0.000) 30.835 18.553 ( 3.837 0.000 0.000) 3.837 18.750 ( -0.460 0.000 0.000) 0.460 19.135 ( 14.435 0.000 0.000) 14.435 19.136 ( 2.882 0.000 0.000) 2.882 19.750 ( -2.783 0.000 0.000) 2.783 19.988 ( 27.113 0.000 0.000) 27.113 20.806 ( 25.367 0.000 0.000) 25.367 21.859 ( -10.144 0.000 0.000) 10.144 21.926 ( -0.570 0.000 0.000) 0.570 22.451 ( 0.341 0.000 0.000) 0.341 22.649 ( 4.420 0.000 0.000) 4.420 23.073 ( -0.317 0.000 0.000) 0.317 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 34.494 0.000 0.000) 34.494 2.963 ( 45.155 0.000 0.000) 45.155 3.722 ( 56.273 0.000 0.000) 56.273 3.902 ( 1.925 0.000 0.000) 1.925 3.994 ( 16.048 0.000 0.000) 16.048 4.038 ( 17.088 0.000 0.000) 17.088 4.212 ( 9.252 0.000 0.000) 9.252 4.736 ( -12.010 0.000 0.000) 12.010 4.795 ( 26.637 0.000 0.000) 26.637 5.636 ( -18.731 0.000 0.000) 18.731 5.727 ( 0.046 0.000 0.000) 0.046 5.766 ( -13.731 0.000 0.000) 13.731 6.351 ( -22.329 0.000 0.000) 22.329 6.607 ( 0.502 0.000 0.000) 0.502 7.171 ( -9.627 0.000 0.000) 9.627 7.369 ( -0.937 0.000 0.000) 0.937 7.609 ( -7.415 0.000 0.000) 7.415 8.006 ( 7.602 0.000 0.000) 7.602 8.133 ( -8.783 0.000 0.000) 8.783 8.164 ( 0.441 0.000 0.000) 0.441 8.557 ( -14.992 0.000 0.000) 14.992 8.759 ( 13.285 0.000 0.000) 13.285 8.789 ( -1.530 0.000 0.000) 1.530 9.203 ( -12.082 0.000 0.000) 12.082 9.381 ( 4.001 0.000 0.000) 4.001 9.459 ( 1.936 0.000 0.000) 1.936 9.709 ( 9.312 0.000 0.000) 9.312 10.633 ( -7.988 0.000 0.000) 7.988 11.124 ( -2.531 0.000 0.000) 2.531 11.413 ( -8.747 0.000 0.000) 8.747 12.572 ( -9.787 0.000 0.000) 9.787 12.660 ( -9.279 0.000 0.000) 9.279 14.618 ( 15.883 0.000 0.000) 15.883 14.949 ( -8.055 0.000 0.000) 8.055 14.951 ( -1.046 0.000 0.000) 1.046 15.133 ( -10.624 0.000 0.000) 10.624 15.201 ( 1.643 0.000 0.000) 1.643 16.143 ( -9.674 0.000 0.000) 9.674 16.533 ( -9.444 0.000 0.000) 9.444 16.698 ( -15.022 0.000 0.000) 15.022 16.725 ( -23.483 0.000 0.000) 23.483 16.730 ( -19.461 0.000 0.000) 19.461 18.602 ( 1.269 0.000 0.000) 1.269 18.738 ( -0.936 0.000 0.000) 0.936 19.189 ( 2.953 0.000 0.000) 2.953 19.440 ( 15.982 0.000 0.000) 15.982 19.687 ( -3.636 0.000 0.000) 3.636 20.429 ( 16.163 0.000 0.000) 16.163 21.297 ( 23.298 0.000 0.000) 23.298 21.654 ( -9.228 0.000 0.000) 9.228 21.905 ( -1.645 0.000 0.000) 1.645 22.437 ( -1.837 0.000 0.000) 1.837 22.752 ( 5.588 0.000 0.000) 5.588 23.064 ( -0.607 0.000 0.000) 0.607 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 30.329 0.000 0.000) 30.329 3.800 ( 38.267 0.000 0.000) 38.267 3.987 ( 5.676 0.000 0.000) 5.676 4.367 ( 21.243 0.000 0.000) 21.243 4.400 ( 18.981 0.000 0.000) 18.981 4.427 ( 11.967 0.000 0.000) 11.967 4.472 ( -13.274 0.000 0.000) 13.274 4.746 ( 43.375 0.000 0.000) 43.375 5.224 ( 13.803 0.000 0.000) 13.803 5.245 ( -19.822 0.000 0.000) 19.822 5.470 ( -15.807 0.000 0.000) 15.807 5.663 ( -7.279 0.000 0.000) 7.279 5.931 ( -15.952 0.000 0.000) 15.952 6.641 ( 3.518 0.000 0.000) 3.518 6.995 ( -7.962 0.000 0.000) 7.962 7.315 ( -21.650 0.000 0.000) 21.650 7.384 ( 2.804 0.000 0.000) 2.804 7.924 ( -11.779 0.000 0.000) 11.779 8.125 ( -5.243 0.000 0.000) 5.243 8.180 ( 10.033 0.000 0.000) 10.033 8.250 ( -14.595 0.000 0.000) 14.595 8.838 ( 7.543 0.000 0.000) 7.543 8.945 ( -13.610 0.000 0.000) 13.610 9.024 ( 12.761 0.000 0.000) 12.761 9.385 ( -3.564 0.000 0.000) 3.564 9.469 ( -1.252 0.000 0.000) 1.252 9.939 ( 12.506 0.000 0.000) 12.506 10.486 ( -6.844 0.000 0.000) 6.844 11.076 ( -2.014 0.000 0.000) 2.014 11.238 ( -8.254 0.000 0.000) 8.254 12.404 ( -6.561 0.000 0.000) 6.561 12.485 ( -7.918 0.000 0.000) 7.918 14.813 ( -5.193 0.000 0.000) 5.193 14.922 ( 12.175 0.000 0.000) 12.175 14.936 ( -8.786 0.000 0.000) 8.786 14.997 ( 7.908 0.000 0.000) 7.908 15.223 ( 0.025 0.000 0.000) 0.025 15.905 ( -14.237 0.000 0.000) 14.237 16.359 ( -12.889 0.000 0.000) 12.889 16.360 ( -7.799 0.000 0.000) 7.799 16.420 ( -11.501 0.000 0.000) 11.501 16.438 ( -10.670 0.000 0.000) 10.670 18.616 ( 0.523 0.000 0.000) 0.523 18.709 ( -1.947 0.000 0.000) 1.947 19.264 ( 4.678 0.000 0.000) 4.678 19.602 ( -4.898 0.000 0.000) 4.898 19.766 ( 16.738 0.000 0.000) 16.738 20.582 ( -1.516 0.000 0.000) 1.516 21.554 ( 0.257 0.000 0.000) 0.257 21.715 ( 18.493 0.000 0.000) 18.493 21.855 ( -3.481 0.000 0.000) 3.481 22.374 ( -4.660 0.000 0.000) 4.660 22.860 ( 5.083 0.000 0.000) 5.083 23.046 ( -1.275 0.000 0.000) 1.275 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 25.359 0.000 0.000) 25.359 3.932 ( -15.607 0.000 0.000) 15.607 4.398 ( 9.446 0.000 0.000) 9.446 4.455 ( 26.449 0.000 0.000) 26.449 4.601 ( -1.298 0.000 0.000) 1.298 4.700 ( 6.102 0.000 0.000) 6.102 4.804 ( 20.934 0.000 0.000) 20.934 4.948 ( -2.739 0.000 0.000) 2.739 5.150 ( -15.681 0.000 0.000) 15.681 5.156 ( -13.409 0.000 0.000) 13.409 5.268 ( 5.711 0.000 0.000) 5.711 5.449 ( -12.534 0.000 0.000) 12.534 6.085 ( 31.190 0.000 0.000) 31.190 6.744 ( 5.324 0.000 0.000) 5.324 6.767 ( -31.879 0.000 0.000) 31.879 6.861 ( -5.712 0.000 0.000) 5.712 7.490 ( 7.835 0.000 0.000) 7.835 7.686 ( -11.507 0.000 0.000) 11.507 8.015 ( -3.854 0.000 0.000) 3.854 8.031 ( -6.237 0.000 0.000) 6.237 8.405 ( 12.527 0.000 0.000) 12.527 8.670 ( -13.813 0.000 0.000) 13.813 9.042 ( 11.403 0.000 0.000) 11.403 9.250 ( 9.700 0.000 0.000) 9.700 9.253 ( -9.175 0.000 0.000) 9.175 9.402 ( -5.510 0.000 0.000) 5.510 10.171 ( 10.415 0.000 0.000) 10.415 10.348 ( -7.507 0.000 0.000) 7.507 11.056 ( 0.407 0.000 0.000) 0.407 11.105 ( -4.699 0.000 0.000) 4.699 12.326 ( -1.069 0.000 0.000) 1.069 12.360 ( -4.283 0.000 0.000) 4.283 14.755 ( -0.430 0.000 0.000) 0.430 14.799 ( -4.718 0.000 0.000) 4.718 15.070 ( 6.481 0.000 0.000) 6.481 15.183 ( -4.179 0.000 0.000) 4.179 15.279 ( 15.988 0.000 0.000) 15.988 15.598 ( -15.986 0.000 0.000) 15.986 16.209 ( -2.584 0.000 0.000) 2.584 16.234 ( -4.405 0.000 0.000) 4.405 16.274 ( -3.249 0.000 0.000) 3.249 16.286 ( -4.348 0.000 0.000) 4.348 18.632 ( 1.242 0.000 0.000) 1.242 18.666 ( -2.082 0.000 0.000) 2.082 19.372 ( 5.975 0.000 0.000) 5.975 19.493 ( -5.954 0.000 0.000) 5.954 20.101 ( 16.695 0.000 0.000) 16.695 20.411 ( -13.606 0.000 0.000) 13.606 21.637 ( 6.431 0.000 0.000) 6.431 21.764 ( -5.685 0.000 0.000) 5.685 22.030 ( 13.227 0.000 0.000) 13.227 22.245 ( -8.474 0.000 0.000) 8.474 22.949 ( 3.804 0.000 0.000) 3.804 23.010 ( -2.398 0.000 0.000) 2.398 ======================= Grid point 12 (7/84) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 19.773 19.773 0.000) 27.963 1.133 ( 27.823 27.823 0.000) 39.348 2.163 ( 52.538 52.538 0.000) 74.300 3.570 ( 2.137 2.137 0.000) 3.023 3.703 ( 8.784 8.784 0.000) 12.422 3.947 ( 16.603 16.603 0.000) 23.480 3.958 ( -0.141 -0.141 0.000) 0.199 3.978 ( 1.483 1.483 0.000) 2.098 5.017 ( -3.583 -3.583 0.000) 5.066 5.679 ( 0.933 0.933 0.000) 1.320 5.968 ( -13.530 -13.530 0.000) 19.134 6.316 ( 1.558 1.558 0.000) 2.203 6.610 ( 4.168 4.168 0.000) 5.894 6.902 ( -9.278 -9.278 0.000) 13.121 7.431 ( -1.156 -1.156 0.000) 1.635 7.498 ( 2.757 2.757 0.000) 3.900 7.527 ( -10.071 -10.071 0.000) 14.243 7.750 ( 2.771 2.771 0.000) 3.919 8.323 ( -1.353 -1.353 0.000) 1.914 8.397 ( -0.389 -0.389 0.000) 0.551 8.421 ( 3.772 3.772 0.000) 5.335 8.645 ( 2.573 2.573 0.000) 3.639 8.817 ( -4.955 -4.955 0.000) 7.008 9.174 ( 8.811 8.811 0.000) 12.461 9.334 ( 2.467 2.467 0.000) 3.488 9.542 ( -5.328 -5.328 0.000) 7.535 9.665 ( -2.972 -2.972 0.000) 4.203 10.905 ( -4.172 -4.172 0.000) 5.901 11.152 ( -2.643 -2.643 0.000) 3.737 11.645 ( -2.026 -2.026 0.000) 2.865 12.806 ( -8.738 -8.738 0.000) 12.358 13.019 ( 0.075 0.075 0.000) 0.107 14.140 ( 7.006 7.006 0.000) 9.908 15.039 ( -4.856 -4.856 0.000) 6.867 15.188 ( 1.921 1.921 0.000) 2.717 15.319 ( -10.203 -10.203 0.000) 14.429 15.352 ( 2.463 2.463 0.000) 3.484 16.353 ( -3.002 -3.002 0.000) 4.246 16.822 ( -8.472 -8.472 0.000) 11.981 17.143 ( -15.009 -15.009 0.000) 21.226 17.779 ( -16.767 -16.767 0.000) 23.711 17.908 ( -1.023 -1.023 0.000) 1.447 17.923 ( -11.831 -11.831 0.000) 16.732 18.790 ( 0.529 0.529 0.000) 0.748 18.990 ( 0.826 0.826 0.000) 1.168 19.029 ( 2.232 2.232 0.000) 3.156 19.720 ( 24.305 24.305 0.000) 34.372 19.759 ( -2.953 -2.953 0.000) 4.177 20.534 ( 17.827 17.827 0.000) 25.211 21.876 ( -5.400 -5.400 0.000) 7.636 22.024 ( -0.189 -0.189 0.000) 0.267 22.412 ( -0.298 -0.298 0.000) 0.422 22.604 ( 1.793 1.793 0.000) 2.536 23.108 ( 1.153 1.153 0.000) 1.631 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 48.681 -19.552 0.000) 52.460 1.759 ( 33.231 16.780 0.000) 37.227 3.208 ( 51.274 43.767 0.000) 67.413 3.662 ( 7.303 -1.425 0.000) 7.441 3.928 ( -1.589 1.861 0.000) 2.447 3.939 ( 15.097 13.275 0.000) 20.104 4.066 ( 6.618 0.960 0.000) 6.687 4.389 ( 26.240 14.456 0.000) 29.958 4.909 ( -7.360 -2.705 0.000) 7.841 5.675 ( -15.852 -16.506 0.000) 22.885 5.708 ( 1.789 0.789 0.000) 1.955 6.256 ( -7.342 10.521 0.000) 12.830 6.563 ( -19.026 -12.129 0.000) 22.563 6.703 ( 1.465 3.714 0.000) 3.992 7.345 ( -9.435 -3.664 0.000) 10.122 7.399 ( -1.833 -0.512 0.000) 1.903 7.595 ( 4.584 -0.872 0.000) 4.666 7.838 ( 5.792 -1.739 0.000) 6.048 8.268 ( -4.268 -0.275 0.000) 4.277 8.293 ( -6.815 6.788 0.000) 9.619 8.542 ( 8.378 1.932 0.000) 8.598 8.656 ( -7.807 -8.434 0.000) 11.493 8.786 ( 6.209 -3.601 0.000) 7.177 9.349 ( 5.291 9.157 0.000) 10.576 9.368 ( -4.828 -1.051 0.000) 4.941 9.416 ( -1.605 -2.684 0.000) 3.128 9.599 ( -0.565 -2.707 0.000) 2.765 10.763 ( -9.123 -3.766 0.000) 9.869 11.116 ( -1.488 -4.251 0.000) 4.504 11.579 ( -4.737 0.755 0.000) 4.797 12.623 ( -9.236 -8.710 0.000) 12.695 12.960 ( -5.777 5.943 0.000) 8.289 14.335 ( 12.241 2.363 0.000) 12.467 14.943 ( -4.236 -5.326 0.000) 6.805 15.068 ( -12.013 -6.205 0.000) 13.520 15.222 ( 1.615 3.663 0.000) 4.003 15.375 ( -2.388 4.759 0.000) 5.325 16.263 ( -6.035 -3.315 0.000) 6.886 16.627 ( -10.341 -8.450 0.000) 13.355 16.803 ( -17.583 -14.621 0.000) 22.868 17.329 ( -25.494 2.757 0.000) 25.643 17.390 ( -24.427 13.220 0.000) 27.775 18.187 ( 10.639 -23.335 0.000) 25.646 18.919 ( -4.458 6.248 0.000) 7.675 18.954 ( 13.484 -12.446 0.000) 18.349 19.090 ( 2.431 -4.253 0.000) 4.899 19.701 ( -2.772 -4.021 0.000) 4.884 20.184 ( 20.803 14.871 0.000) 25.572 20.955 ( 22.730 13.580 0.000) 26.477 21.733 ( -8.326 -7.969 0.000) 11.525 22.015 ( -0.815 4.550 0.000) 4.622 22.420 ( 0.681 -2.206 0.000) 2.308 22.656 ( 3.334 0.991 0.000) 3.478 23.112 ( -0.541 2.495 0.000) 2.553 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 32.056 10.841 0.000) 33.839 2.570 ( 49.750 -25.748 0.000) 56.018 3.842 ( 12.589 -5.086 0.000) 13.578 3.918 ( 1.067 1.113 0.000) 1.542 4.146 ( 35.087 23.653 0.000) 42.315 4.240 ( 10.749 3.410 0.000) 11.277 4.345 ( 30.491 26.007 0.000) 40.076 4.725 ( -10.986 -1.145 0.000) 11.046 4.922 ( 25.384 12.498 0.000) 28.294 5.342 ( -17.380 -17.327 0.000) 24.542 5.730 ( -0.680 0.230 0.000) 0.718 6.043 ( -13.573 15.366 0.000) 20.502 6.146 ( -20.054 -16.334 0.000) 25.864 6.733 ( 0.754 8.990 0.000) 9.022 7.125 ( -12.947 -7.339 0.000) 14.882 7.371 ( -0.626 0.145 0.000) 0.642 7.580 ( -7.429 -0.962 0.000) 7.491 7.960 ( 5.407 -3.448 0.000) 6.413 8.156 ( -6.110 1.344 0.000) 6.257 8.197 ( -2.902 3.673 0.000) 4.681 8.507 ( -6.014 -3.110 0.000) 6.770 8.747 ( 11.845 -1.070 0.000) 11.893 8.844 ( -1.312 2.578 0.000) 2.893 9.165 ( -12.024 -3.940 0.000) 12.653 9.358 ( -0.898 -1.747 0.000) 1.964 9.451 ( 1.440 -0.754 0.000) 1.625 9.708 ( 8.969 -0.349 0.000) 8.976 10.571 ( -9.679 -6.000 0.000) 11.388 11.087 ( -1.347 -2.847 0.000) 3.149 11.458 ( -7.170 3.744 0.000) 8.088 12.453 ( -7.411 -6.472 0.000) 9.839 12.804 ( -9.381 9.008 0.000) 13.005 14.609 ( 14.909 -0.681 0.000) 14.924 14.866 ( -7.981 -5.302 0.000) 9.582 14.893 ( -0.263 -4.560 0.000) 4.567 15.254 ( 1.415 4.207 0.000) 4.439 15.267 ( -7.912 10.062 0.000) 12.800 16.111 ( -9.335 -3.216 0.000) 9.874 16.427 ( -9.544 -7.211 0.000) 11.962 16.488 ( -13.283 -11.583 0.000) 17.624 16.843 ( -22.218 7.764 0.000) 23.536 16.940 ( -20.600 11.223 0.000) 23.459 18.347 ( 5.850 -17.986 0.000) 18.913 18.820 ( -5.457 1.246 0.000) 5.598 19.151 ( 3.892 -3.069 0.000) 4.956 19.262 ( 16.706 -14.888 0.000) 22.377 19.644 ( -3.112 -3.646 0.000) 4.794 20.497 ( 9.322 3.947 0.000) 10.123 21.395 ( 20.858 8.944 0.000) 22.694 21.585 ( -5.131 -4.057 0.000) 6.541 21.988 ( -1.991 6.025 0.000) 6.345 22.422 ( -0.853 -1.342 0.000) 1.590 22.734 ( 4.459 -1.097 0.000) 4.592 23.092 ( -1.400 1.868 0.000) 2.334 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 28.671 7.073 0.000) 29.530 3.522 ( 45.006 -22.466 0.000) 50.301 3.978 ( 4.443 -1.022 0.000) 4.559 4.141 ( 17.731 -10.826 0.000) 20.775 4.409 ( -4.555 -0.735 0.000) 4.614 4.550 ( 3.465 6.150 0.000) 7.059 4.637 ( 20.365 14.332 0.000) 24.903 5.007 ( -14.631 -14.109 0.000) 20.326 5.023 ( 24.025 17.338 0.000) 29.628 5.269 ( 3.770 3.471 0.000) 5.125 5.671 ( 0.925 3.082 0.000) 3.218 5.730 ( -17.572 16.720 0.000) 24.255 5.881 ( -4.464 -2.358 0.000) 5.049 6.748 ( 1.192 7.262 0.000) 7.359 6.846 ( -13.500 -13.804 0.000) 19.308 7.337 ( -15.251 4.283 0.000) 15.841 7.389 ( 2.835 0.519 0.000) 2.882 7.904 ( -10.141 -1.794 0.000) 10.299 8.123 ( -4.596 2.483 0.000) 5.224 8.185 ( 8.536 0.201 0.000) 8.538 8.371 ( -10.016 7.531 0.000) 12.531 8.846 ( 4.894 0.801 0.000) 4.960 8.911 ( -13.031 -3.462 0.000) 13.483 8.992 ( 12.016 -2.952 0.000) 12.374 9.331 ( -3.179 -5.207 0.000) 6.100 9.449 ( -1.852 -1.971 0.000) 2.705 9.900 ( 9.899 -3.796 0.000) 10.601 10.392 ( -8.160 -8.549 0.000) 11.819 11.069 ( -0.180 -0.119 0.000) 0.216 11.307 ( -7.623 5.656 0.000) 9.492 12.345 ( -3.166 -2.502 0.000) 4.036 12.608 ( -9.846 8.868 0.000) 13.251 14.762 ( -2.270 -1.640 0.000) 2.801 14.903 ( 11.548 -1.341 0.000) 11.626 14.951 ( 8.596 -4.259 0.000) 9.593 15.084 ( -9.910 10.960 0.000) 14.776 15.268 ( -0.326 3.854 0.000) 3.867 15.887 ( -13.183 -2.040 0.000) 13.340 16.259 ( -6.740 -4.531 0.000) 8.121 16.292 ( -6.265 -6.654 0.000) 9.139 16.476 ( -14.365 6.002 0.000) 15.569 16.582 ( -15.177 7.920 0.000) 17.119 18.440 ( 3.913 -13.704 0.000) 14.252 18.708 ( -5.621 -3.522 0.000) 6.634 19.244 ( 5.350 -1.717 0.000) 5.619 19.571 ( -4.294 -2.747 0.000) 5.098 19.604 ( 17.523 -14.481 0.000) 22.733 20.518 ( -6.820 -7.236 0.000) 9.944 21.574 ( 4.016 3.018 0.000) 5.024 21.771 ( 16.788 5.184 0.000) 17.570 21.932 ( -3.828 6.212 0.000) 7.297 22.376 ( -3.956 0.162 0.000) 3.960 22.828 ( 4.866 -2.589 0.000) 5.512 23.056 ( -2.279 0.409 0.000) 2.316 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 24.011 4.203 0.000) 24.376 3.946 ( -13.503 1.200 0.000) 13.556 4.303 ( 31.464 -13.320 0.000) 34.168 4.311 ( 5.761 -6.248 0.000) 8.499 4.532 ( -11.906 -8.357 0.000) 14.546 4.539 ( 19.359 -12.352 0.000) 22.963 4.843 ( -7.688 -6.167 0.000) 9.856 4.995 ( 14.813 9.052 0.000) 17.359 5.001 ( -10.209 -5.687 0.000) 11.686 5.330 ( 6.979 5.390 0.000) 8.818 5.357 ( -19.409 15.368 0.000) 24.757 5.578 ( -12.787 7.586 0.000) 14.867 6.171 ( 25.329 8.604 0.000) 26.750 6.576 ( -14.111 -10.516 0.000) 17.598 6.836 ( 6.226 8.716 0.000) 10.712 7.030 ( -13.862 10.385 0.000) 17.321 7.493 ( 7.569 0.304 0.000) 7.575 7.682 ( -11.027 -0.373 0.000) 11.034 8.061 ( -0.231 5.764 0.000) 5.769 8.152 ( -9.323 9.206 0.000) 13.102 8.393 ( 11.897 -1.325 0.000) 11.971 8.646 ( -13.257 -2.469 0.000) 13.485 9.017 ( 10.399 -2.453 0.000) 10.684 9.212 ( -8.475 -4.052 0.000) 9.394 9.214 ( 9.782 -3.463 0.000) 10.377 9.372 ( -5.939 -2.969 0.000) 6.640 10.086 ( 8.578 -7.895 0.000) 11.659 10.242 ( -7.323 -9.587 0.000) 12.063 11.090 ( 2.462 3.197 0.000) 4.035 11.171 ( -5.664 5.522 0.000) 7.910 12.336 ( 2.350 2.121 0.000) 3.166 12.434 ( -7.201 6.238 0.000) 9.527 14.777 ( 3.648 3.434 0.000) 5.010 14.898 ( -8.189 8.195 0.000) 11.586 15.049 ( 6.986 -1.620 0.000) 7.171 15.154 ( 0.111 -2.865 0.000) 2.867 15.303 ( 10.879 2.057 0.000) 11.072 15.597 ( -15.537 -0.587 0.000) 15.549 16.189 ( 0.157 -1.064 0.000) 1.076 16.243 ( 1.357 -1.249 0.000) 1.844 16.264 ( -7.199 2.182 0.000) 7.522 16.343 ( -8.632 3.704 0.000) 9.393 18.515 ( 3.960 -10.271 0.000) 11.008 18.603 ( -4.864 -7.129 0.000) 8.630 19.358 ( 5.936 -1.372 0.000) 6.093 19.473 ( -5.502 -1.858 0.000) 5.807 19.954 ( 17.426 -13.568 0.000) 22.086 20.284 ( -15.193 -12.034 0.000) 19.382 21.699 ( 7.252 5.611 0.000) 9.169 21.834 ( -5.988 6.035 0.000) 8.501 22.060 ( 12.230 2.725 0.000) 12.530 22.259 ( -7.862 1.304 0.000) 7.969 22.922 ( 4.398 -2.456 0.000) 5.037 23.000 ( -3.372 -1.217 0.000) 3.585 ======================= Grid point 24 (12/84) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 18.363 18.363 0.000) 25.969 2.188 ( 24.884 24.884 0.000) 35.192 3.674 ( 2.800 2.800 0.000) 3.959 3.940 ( -0.793 -0.793 0.000) 1.122 4.034 ( 34.113 34.113 0.000) 48.243 4.152 ( 8.154 8.154 0.000) 11.531 4.310 ( 27.320 27.320 0.000) 38.636 4.783 ( 23.877 23.877 0.000) 33.767 4.827 ( -5.566 -5.566 0.000) 7.871 5.339 ( -17.050 -17.050 0.000) 24.113 5.733 ( 1.652 1.652 0.000) 2.337 6.183 ( -22.331 -22.331 0.000) 31.581 6.379 ( 1.220 1.220 0.000) 1.725 6.824 ( 6.184 6.184 0.000) 8.746 7.176 ( -14.763 -14.763 0.000) 20.878 7.384 ( -0.868 -0.868 0.000) 1.228 7.628 ( 3.296 3.296 0.000) 4.661 7.835 ( 1.996 1.996 0.000) 2.822 8.241 ( -2.782 -2.782 0.000) 3.934 8.371 ( -0.851 -0.851 0.000) 1.204 8.505 ( -5.520 -5.520 0.000) 7.806 8.604 ( 4.473 4.473 0.000) 6.325 8.754 ( 2.252 2.252 0.000) 3.185 9.251 ( -8.915 -8.915 0.000) 12.607 9.419 ( 1.145 1.145 0.000) 1.619 9.484 ( -6.118 -6.118 0.000) 8.653 9.547 ( 7.321 7.321 0.000) 10.353 10.627 ( -9.750 -9.750 0.000) 13.789 11.052 ( -1.689 -1.689 0.000) 2.388 11.580 ( -1.053 -1.053 0.000) 1.489 12.462 ( -7.093 -7.093 0.000) 10.031 13.028 ( 0.436 0.436 0.000) 0.617 14.422 ( 6.624 6.624 0.000) 9.368 14.845 ( -3.772 -3.772 0.000) 5.334 14.908 ( -8.175 -8.175 0.000) 11.561 15.290 ( 3.006 3.006 0.000) 4.251 15.474 ( 3.376 3.376 0.000) 4.775 16.167 ( -6.260 -6.260 0.000) 8.852 16.450 ( -8.648 -8.648 0.000) 12.230 16.499 ( -14.877 -14.877 0.000) 21.040 17.264 ( -10.570 -10.570 0.000) 14.949 17.508 ( -10.147 -10.147 0.000) 14.350 17.856 ( -1.446 -1.446 0.000) 2.045 18.820 ( 0.921 0.921 0.000) 1.302 18.919 ( -6.974 -6.974 0.000) 9.863 19.042 ( 1.780 1.780 0.000) 2.517 19.626 ( -3.194 -3.194 0.000) 4.517 20.441 ( 8.856 8.856 0.000) 12.525 21.276 ( 17.242 17.242 0.000) 24.384 21.593 ( -5.105 -5.105 0.000) 7.220 22.081 ( 1.997 1.997 0.000) 2.824 22.393 ( -0.337 -0.337 0.000) 0.477 22.685 ( 1.705 1.705 0.000) 2.412 23.136 ( -0.193 -0.193 0.000) 0.273 ======================= Grid point 25 (13/84) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 40.591 -10.207 0.000) 41.855 2.706 ( 26.349 17.626 0.000) 31.701 3.772 ( 7.169 -1.718 0.000) 7.372 3.923 ( -0.287 -0.752 0.000) 0.805 4.365 ( 11.547 8.617 0.000) 14.408 4.539 ( 21.559 18.571 0.000) 28.455 4.693 ( -7.215 -1.903 0.000) 7.462 4.969 ( 29.142 28.599 0.000) 40.831 5.007 ( -15.592 -15.671 0.000) 22.106 5.266 ( 21.219 21.251 0.000) 30.031 5.720 ( -7.003 -2.786 0.000) 7.537 5.830 ( -3.999 -9.688 0.000) 10.480 6.299 ( -8.925 9.427 0.000) 12.982 6.773 ( -22.492 -23.542 0.000) 32.559 6.931 ( 2.985 6.955 0.000) 7.569 7.375 ( 0.215 0.287 0.000) 0.358 7.639 ( -3.644 5.654 0.000) 6.727 7.906 ( 3.671 -1.402 0.000) 3.930 8.161 ( -4.315 -1.203 0.000) 4.480 8.293 ( -4.729 4.768 0.000) 6.716 8.460 ( 0.563 -1.593 0.000) 1.689 8.727 ( 8.002 -0.529 0.000) 8.020 8.841 ( 3.986 -2.009 0.000) 4.464 9.046 ( -11.303 -7.870 0.000) 13.773 9.312 ( -8.657 -3.727 0.000) 9.425 9.430 ( -0.429 -1.443 0.000) 1.506 9.695 ( 6.261 -0.586 0.000) 6.289 10.404 ( -11.844 -10.525 0.000) 15.844 11.046 ( 0.916 -0.674 0.000) 1.137 11.528 ( -4.144 2.648 0.000) 4.918 12.354 ( -3.460 -3.192 0.000) 4.707 12.970 ( -6.100 7.023 0.000) 9.302 14.601 ( 11.136 -0.032 0.000) 11.136 14.786 ( -3.447 -2.192 0.000) 4.085 14.814 ( 0.949 -2.486 0.000) 2.661 15.340 ( 1.862 4.158 0.000) 4.556 15.469 ( -4.221 9.308 0.000) 10.220 16.014 ( -9.160 -6.688 0.000) 11.341 16.254 ( -8.885 -11.647 0.000) 14.649 16.295 ( -6.828 -5.733 0.000) 8.916 16.950 ( -18.840 1.592 0.000) 18.907 17.128 ( -21.434 6.052 0.000) 22.272 17.986 ( 8.307 -16.186 0.000) 18.193 18.743 ( -9.599 -8.342 0.000) 12.717 18.972 ( 12.693 -11.772 0.000) 17.311 19.109 ( 4.450 -0.606 0.000) 4.491 19.570 ( -2.648 -3.358 0.000) 4.277 20.485 ( -4.626 -6.100 0.000) 7.656 21.567 ( 2.803 2.738 0.000) 3.918 21.608 ( 15.776 11.526 0.000) 19.538 22.094 ( -0.710 4.105 0.000) 4.165 22.397 ( 0.246 -0.788 0.000) 0.826 22.721 ( 2.036 -0.350 0.000) 2.066 23.108 ( -2.418 -0.513 0.000) 2.472 ======================= Grid point 26 (14/84) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 46.121 -21.374 0.000) 50.833 3.214 ( 24.354 11.860 0.000) 27.089 3.944 ( 2.469 -2.282 0.000) 3.362 3.965 ( 12.355 -6.914 0.000) 14.158 4.398 ( -9.729 -0.634 0.000) 9.750 4.579 ( -10.084 -8.267 0.000) 13.040 4.892 ( 11.612 7.802 0.000) 13.989 4.906 ( 6.411 6.827 0.000) 9.366 5.057 ( -7.305 -5.489 0.000) 9.137 5.473 ( -2.893 12.204 0.000) 12.543 5.784 ( 0.474 2.542 0.000) 2.585 6.004 ( 23.533 18.812 0.000) 30.128 6.046 ( -15.991 14.216 0.000) 21.396 6.410 ( -6.982 -21.919 0.000) 23.004 6.981 ( 2.217 11.300 0.000) 11.515 7.404 ( 3.035 1.027 0.000) 3.204 7.487 ( -10.591 9.499 0.000) 14.227 7.870 ( -7.884 -1.174 0.000) 7.971 8.171 ( 6.216 -1.975 0.000) 6.522 8.216 ( -2.681 5.796 0.000) 6.386 8.473 ( -2.019 2.625 0.000) 3.311 8.807 ( -11.732 -6.897 0.000) 13.609 8.864 ( 0.386 0.637 0.000) 0.745 8.918 ( 9.984 -4.118 0.000) 10.800 9.192 ( -3.826 -8.294 0.000) 9.134 9.393 ( -3.387 -3.534 0.000) 4.895 9.800 ( 4.637 -5.786 0.000) 7.415 10.181 ( -10.056 -12.044 0.000) 15.690 11.086 ( 3.094 1.912 0.000) 3.637 11.421 ( -6.359 5.141 0.000) 8.177 12.335 ( 1.679 1.724 0.000) 2.406 12.803 ( -10.124 10.310 0.000) 14.450 14.780 ( 2.846 3.454 0.000) 4.476 14.836 ( 10.655 -6.734 0.000) 12.604 14.898 ( 8.577 1.096 0.000) 8.647 15.316 ( -10.341 11.848 0.000) 15.726 15.353 ( -0.746 4.474 0.000) 4.536 15.807 ( -11.570 -6.384 0.000) 13.215 16.161 ( -0.517 -6.518 0.000) 6.539 16.188 ( -3.426 -2.377 0.000) 4.170 16.584 ( -16.693 4.340 0.000) 17.248 16.729 ( -18.142 6.178 0.000) 19.166 18.135 ( 6.714 -15.721 0.000) 17.094 18.558 ( -8.768 -10.789 0.000) 13.903 19.211 ( 5.604 -1.353 0.000) 5.765 19.273 ( 16.814 -16.945 0.000) 23.871 19.511 ( -3.503 -3.034 0.000) 4.635 20.290 ( -13.798 -15.025 0.000) 20.399 21.678 ( 7.312 6.654 0.000) 9.886 21.895 ( 12.983 6.645 0.000) 14.585 22.053 ( -3.377 5.301 0.000) 6.285 22.379 ( -2.554 0.160 0.000) 2.559 22.775 ( 3.620 -2.526 0.000) 4.414 23.046 ( -3.815 -1.586 0.000) 4.131 ======================= Grid point 27 (15/84) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 20.223 6.929 0.000) 21.377 3.960 ( 41.850 -20.869 0.000) 46.765 3.964 ( -6.026 0.007 0.000) 6.026 4.205 ( -2.824 -3.654 0.000) 4.618 4.272 ( 19.026 -12.883 0.000) 22.978 4.336 ( -11.525 -9.915 0.000) 15.203 4.584 ( -21.272 -15.159 0.000) 26.121 4.866 ( -31.414 -13.761 0.000) 34.296 5.259 ( 21.266 15.912 0.000) 26.560 5.461 ( 12.457 7.536 0.000) 14.559 5.680 ( -20.339 16.284 0.000) 26.055 5.697 ( -8.815 4.531 0.000) 9.911 6.410 ( 12.847 14.469 0.000) 19.349 6.471 ( 5.077 1.881 0.000) 5.414 7.059 ( 6.839 12.730 0.000) 14.451 7.256 ( -11.784 12.163 0.000) 16.936 7.504 ( 7.029 0.910 0.000) 7.088 7.677 ( -10.006 0.107 0.000) 10.007 8.210 ( 2.864 8.161 0.000) 8.649 8.339 ( -9.068 8.587 0.000) 12.489 8.344 ( 10.318 -3.875 0.000) 11.021 8.567 ( -11.872 -5.551 0.000) 13.105 8.949 ( 7.323 -4.207 0.000) 8.446 9.097 ( -6.491 -7.263 0.000) 9.740 9.123 ( 9.766 -5.378 0.000) 11.149 9.291 ( -6.901 -4.940 0.000) 8.487 9.895 ( 5.157 -10.456 0.000) 11.659 10.013 ( -6.963 -12.554 0.000) 14.355 11.169 ( 5.207 4.435 0.000) 6.839 11.288 ( -6.612 5.718 0.000) 8.741 12.421 ( 6.825 6.456 0.000) 9.395 12.594 ( -10.151 9.745 0.000) 14.072 14.894 ( 8.273 8.026 0.000) 11.527 15.007 ( 7.766 -3.555 0.000) 8.541 15.084 ( 3.948 -3.157 0.000) 5.055 15.093 ( -11.279 10.970 0.000) 15.734 15.350 ( 4.238 2.555 0.000) 4.948 15.558 ( -13.083 -3.321 0.000) 13.498 16.181 ( 3.068 0.332 0.000) 3.086 16.224 ( 6.635 -0.903 0.000) 6.696 16.314 ( -10.234 2.631 0.000) 10.567 16.419 ( -12.847 3.474 0.000) 13.308 18.263 ( 6.392 -14.192 0.000) 15.565 18.398 ( -7.320 -12.654 0.000) 14.618 19.324 ( 5.613 -1.841 0.000) 5.907 19.428 ( -4.766 -2.436 0.000) 5.352 19.622 ( 17.914 -18.425 0.000) 25.698 19.974 ( -17.239 -18.004 0.000) 24.926 21.829 ( 7.408 6.714 0.000) 9.998 21.961 ( -5.756 6.044 0.000) 8.347 22.124 ( 9.939 3.270 0.000) 10.463 22.288 ( -6.527 1.384 0.000) 6.672 22.862 ( 4.873 -3.302 0.000) 5.887 22.960 ( -4.734 -2.738 0.000) 5.469 ======================= Grid point 36 (16/84) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 15.421 15.421 0.000) 21.808 3.085 ( 19.813 19.813 0.000) 28.019 3.776 ( 2.206 2.206 0.000) 3.120 3.901 ( -1.076 -1.076 0.000) 1.522 4.480 ( -0.455 -0.455 0.000) 0.644 4.605 ( -10.936 -10.936 0.000) 15.466 4.858 ( 7.775 7.775 0.000) 10.996 4.893 ( 14.266 14.266 0.000) 20.175 5.086 ( -11.870 -11.870 0.000) 16.786 5.738 ( 20.738 20.738 0.000) 29.328 5.803 ( 3.996 3.996 0.000) 5.651 5.901 ( 19.918 19.918 0.000) 28.169 6.188 ( -27.443 -27.443 0.000) 38.810 6.387 ( -0.961 -0.961 0.000) 1.358 7.082 ( 6.671 6.671 0.000) 9.434 7.389 ( 1.371 1.371 0.000) 1.939 7.723 ( 1.158 1.158 0.000) 1.638 7.913 ( 1.522 1.522 0.000) 2.153 8.104 ( -3.976 -3.976 0.000) 5.623 8.341 ( -0.391 -0.391 0.000) 0.553 8.450 ( 1.127 1.127 0.000) 1.594 8.745 ( 2.726 2.726 0.000) 3.856 8.830 ( 1.757 1.757 0.000) 2.485 8.862 ( -10.284 -10.284 0.000) 14.544 9.186 ( -8.691 -8.691 0.000) 12.291 9.388 ( -2.851 -2.851 0.000) 4.032 9.691 ( -0.011 -0.011 0.000) 0.015 10.169 ( -12.538 -12.538 0.000) 17.732 11.067 ( 2.675 2.675 0.000) 3.783 11.548 ( -0.804 -0.804 0.000) 1.138 12.336 ( 1.503 1.503 0.000) 2.125 13.056 ( 0.973 0.973 0.000) 1.376 14.614 ( 1.811 1.811 0.000) 2.561 14.790 ( 2.688 2.688 0.000) 3.801 14.827 ( 4.059 4.059 0.000) 5.741 15.413 ( 3.010 3.010 0.000) 4.256 15.602 ( 2.904 2.904 0.000) 4.106 15.844 ( -10.086 -10.086 0.000) 14.264 16.055 ( -7.024 -7.024 0.000) 9.934 16.205 ( -3.353 -3.353 0.000) 4.742 16.872 ( -9.312 -9.312 0.000) 13.169 17.090 ( -10.795 -10.795 0.000) 15.266 17.803 ( -1.163 -1.163 0.000) 1.645 18.536 ( -11.409 -11.409 0.000) 16.135 18.860 ( 1.051 1.051 0.000) 1.487 19.128 ( 2.465 2.465 0.000) 3.486 19.512 ( -2.706 -2.706 0.000) 3.827 20.273 ( -14.216 -14.216 0.000) 20.105 21.671 ( 6.810 6.810 0.000) 9.631 21.829 ( 10.401 10.401 0.000) 14.709 22.144 ( 0.858 0.858 0.000) 1.213 22.393 ( 0.104 0.104 0.000) 0.148 22.716 ( -0.016 -0.016 0.000) 0.023 23.071 ( -3.059 -3.059 0.000) 4.326 ======================= Grid point 37 (17/84) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 34.108 -8.810 0.000) 35.227 3.472 ( 18.638 13.551 0.000) 23.043 3.865 ( 6.895 -3.072 0.000) 7.548 3.896 ( 0.911 -2.281 0.000) 2.456 4.347 ( -12.039 -9.837 0.000) 15.547 4.383 ( -8.489 -3.651 0.000) 9.241 4.675 ( -19.687 -17.323 0.000) 26.223 5.152 ( -11.953 -5.532 0.000) 13.171 5.176 ( 20.087 17.725 0.000) 26.789 5.463 ( -13.227 -7.049 0.000) 14.988 5.810 ( -0.053 0.948 0.000) 0.950 6.260 ( 22.017 10.427 0.000) 24.361 6.266 ( -10.758 7.188 0.000) 12.939 6.459 ( 22.161 23.547 0.000) 32.335 7.191 ( 4.613 9.355 0.000) 10.430 7.436 ( 3.518 2.356 0.000) 4.234 7.661 ( -6.870 6.682 0.000) 9.584 7.872 ( -7.189 1.643 0.000) 7.375 8.093 ( 4.559 -5.963 0.000) 7.506 8.316 ( -0.677 3.591 0.000) 3.654 8.501 ( 2.857 1.233 0.000) 3.112 8.645 ( -11.100 -9.087 0.000) 14.345 8.846 ( 7.166 -2.596 0.000) 7.622 8.867 ( -0.512 0.133 0.000) 0.529 9.016 ( -6.018 -9.323 0.000) 11.096 9.310 ( -5.110 -4.798 0.000) 7.009 9.688 ( -0.203 -5.121 0.000) 5.125 9.930 ( -10.757 -12.814 0.000) 16.731 11.145 ( 4.989 3.934 0.000) 6.353 11.496 ( -4.293 2.210 0.000) 4.828 12.417 ( 6.598 6.504 0.000) 9.265 12.996 ( -6.812 8.413 0.000) 10.825 14.699 ( 7.028 -6.327 0.000) 9.457 14.894 ( 7.615 7.755 0.000) 10.869 14.953 ( 7.447 4.029 0.000) 8.467 15.441 ( -1.009 4.188 0.000) 4.308 15.541 ( -8.577 10.483 0.000) 13.545 15.639 ( -9.367 -9.788 0.000) 13.548 16.030 ( 4.492 -6.621 0.000) 8.001 16.162 ( -0.660 -0.459 0.000) 0.804 16.622 ( -14.281 -1.140 0.000) 14.327 16.786 ( -17.226 -1.576 0.000) 17.298 17.867 ( 5.594 -9.857 0.000) 11.334 18.317 ( -10.182 -12.510 0.000) 16.130 18.992 ( 11.162 -10.102 0.000) 15.055 19.199 ( 4.382 0.348 0.000) 4.396 19.455 ( -3.183 -2.638 0.000) 4.134 19.954 ( -17.251 -18.045 0.000) 24.964 21.813 ( 7.159 6.600 0.000) 9.737 22.019 ( 8.754 5.677 0.000) 10.434 22.129 ( -2.257 2.235 0.000) 3.176 22.380 ( -1.966 -0.205 0.000) 1.976 22.733 ( 2.031 -1.611 0.000) 2.592 22.994 ( -4.553 -3.452 0.000) 5.714 ======================= Grid point 38 (18/84) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 41.853 -21.954 0.000) 47.261 3.805 ( 13.960 6.955 0.000) 15.597 3.933 ( 1.497 -2.758 0.000) 3.138 4.056 ( 12.281 -8.836 0.000) 15.130 4.146 ( -6.651 -5.717 0.000) 8.770 4.194 ( -9.470 -1.074 0.000) 9.531 4.274 ( -24.172 -17.015 0.000) 29.560 4.458 ( -35.894 -23.833 0.000) 43.086 5.592 ( 20.908 16.924 0.000) 26.899 5.610 ( 10.664 6.931 0.000) 12.718 5.767 ( -4.837 2.668 0.000) 5.524 5.980 ( -17.473 13.216 0.000) 21.908 6.623 ( 13.240 12.585 0.000) 18.267 6.734 ( 3.665 16.610 0.000) 17.010 7.306 ( 7.893 11.205 0.000) 13.706 7.489 ( -9.599 10.208 0.000) 14.012 7.536 ( 6.600 2.499 0.000) 7.057 7.696 ( -9.162 1.954 0.000) 9.368 8.234 ( 8.732 -7.152 0.000) 11.288 8.351 ( 4.660 5.398 0.000) 7.131 8.428 ( -10.559 -8.234 0.000) 13.390 8.479 ( -6.017 5.625 0.000) 8.237 8.856 ( 3.109 -5.125 0.000) 5.994 8.946 ( -3.884 -6.662 0.000) 7.712 9.013 ( 8.989 -5.365 0.000) 10.468 9.183 ( -7.680 -5.828 0.000) 9.641 9.696 ( 1.472 -9.237 0.000) 9.353 9.764 ( -5.738 -12.130 0.000) 13.419 11.259 ( 6.324 4.558 0.000) 7.795 11.388 ( -6.282 4.101 0.000) 7.502 12.590 ( 10.426 10.327 0.000) 14.675 12.810 ( -11.034 11.535 0.000) 15.962 14.879 ( 10.211 -8.560 0.000) 13.324 15.035 ( -2.370 -3.527 0.000) 4.249 15.084 ( 11.191 10.852 0.000) 15.588 15.322 ( -12.229 11.892 0.000) 17.058 15.403 ( 1.010 2.593 0.000) 2.782 15.497 ( -6.047 -1.211 0.000) 6.167 16.192 ( 11.057 -2.796 0.000) 11.405 16.198 ( 4.723 1.160 0.000) 4.863 16.358 ( -11.235 1.473 0.000) 11.331 16.457 ( -15.295 -0.429 0.000) 15.301 17.991 ( 6.686 -12.148 0.000) 13.866 18.136 ( -8.059 -12.765 0.000) 15.096 19.268 ( 15.867 -16.178 0.000) 22.660 19.292 ( 4.775 -1.161 0.000) 4.914 19.382 ( -4.133 -2.133 0.000) 4.652 19.604 ( -17.575 -18.513 0.000) 25.527 21.948 ( 6.283 5.132 0.000) 8.113 22.059 ( -4.678 3.598 0.000) 5.902 22.179 ( 7.323 2.240 0.000) 7.658 22.307 ( -5.283 0.336 0.000) 5.293 22.799 ( 4.417 -2.816 0.000) 5.239 22.896 ( -5.091 -3.439 0.000) 6.144 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 10.670 10.670 0.000) 15.089 3.733 ( 12.126 12.126 0.000) 17.148 3.847 ( 1.346 1.346 0.000) 1.904 3.864 ( -0.667 -0.667 0.000) 0.944 4.150 ( -8.254 -8.254 0.000) 11.673 4.317 ( -4.369 -4.369 0.000) 6.179 4.333 ( -17.206 -17.206 0.000) 24.332 4.611 ( -35.759 -35.759 0.000) 50.570 5.549 ( 19.055 19.055 0.000) 26.948 5.570 ( 9.265 9.265 0.000) 13.103 5.824 ( 0.190 0.190 0.000) 0.269 6.315 ( -2.267 -2.267 0.000) 3.206 6.587 ( 18.239 18.239 0.000) 25.794 6.872 ( 16.505 16.505 0.000) 23.342 7.344 ( 6.280 6.280 0.000) 8.881 7.502 ( 4.294 4.294 0.000) 6.072 7.716 ( -1.364 -1.364 0.000) 1.930 7.938 ( 0.044 0.044 0.000) 0.063 7.942 ( -3.817 -3.817 0.000) 5.397 8.354 ( 1.031 1.031 0.000) 1.457 8.453 ( -10.069 -10.069 0.000) 14.239 8.563 ( 5.281 5.281 0.000) 7.469 8.810 ( -9.829 -9.829 0.000) 13.900 8.836 ( 1.932 1.932 0.000) 2.732 8.900 ( 1.609 1.609 0.000) 2.275 9.201 ( -6.277 -6.277 0.000) 8.878 9.598 ( -4.042 -4.042 0.000) 5.717 9.689 ( -10.842 -10.842 0.000) 15.333 11.238 ( 5.241 5.241 0.000) 7.412 11.505 ( -1.331 -1.331 0.000) 1.882 12.589 ( 10.545 10.545 0.000) 14.912 13.100 ( 1.122 1.122 0.000) 1.587 14.623 ( -0.314 -0.314 0.000) 0.444 15.015 ( 0.063 0.063 0.000) 0.089 15.081 ( 10.929 10.929 0.000) 15.457 15.460 ( -5.072 -5.072 0.000) 7.173 15.518 ( 2.151 2.151 0.000) 3.042 15.697 ( 1.824 1.824 0.000) 2.579 15.931 ( 0.203 0.203 0.000) 0.288 16.167 ( 1.108 1.108 0.000) 1.568 16.533 ( -7.441 -7.441 0.000) 10.523 16.650 ( -11.407 -11.407 0.000) 16.131 17.768 ( -0.587 -0.587 0.000) 0.830 18.087 ( -10.188 -10.188 0.000) 14.408 18.899 ( 0.842 0.842 0.000) 1.191 19.226 ( 2.242 2.242 0.000) 3.170 19.402 ( -2.730 -2.730 0.000) 3.861 19.593 ( -17.751 -17.751 0.000) 25.103 21.934 ( 5.484 5.484 0.000) 7.755 22.122 ( 4.786 4.786 0.000) 6.768 22.143 ( -0.750 -0.750 0.000) 1.061 22.360 ( -2.029 -2.029 0.000) 2.869 22.721 ( 0.598 0.598 0.000) 0.845 22.915 ( -4.295 -4.295 0.000) 6.073 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 27.790 -13.008 0.000) 30.684 3.804 ( -35.456 -27.689 0.000) 44.987 3.873 ( 1.780 -1.914 0.000) 2.613 3.901 ( 1.717 0.275 0.000) 1.739 3.924 ( 6.389 -4.527 0.000) 7.831 4.073 ( 3.137 0.622 0.000) 3.198 4.111 ( -12.965 -11.387 0.000) 17.256 4.203 ( -6.988 0.453 0.000) 7.003 5.726 ( 6.020 4.676 0.000) 7.623 5.807 ( -2.203 1.361 0.000) 2.589 5.908 ( 16.498 14.300 0.000) 21.833 6.183 ( -10.656 6.796 0.000) 12.639 6.907 ( 12.784 14.781 0.000) 19.543 7.048 ( 0.086 14.220 0.000) 14.221 7.475 ( 7.674 5.488 0.000) 9.434 7.608 ( 6.460 4.791 0.000) 8.043 7.627 ( -6.728 3.236 0.000) 7.466 7.760 ( -8.707 4.478 0.000) 9.791 8.073 ( 8.059 -8.472 0.000) 11.692 8.253 ( -9.825 -9.012 0.000) 13.332 8.406 ( 5.074 0.201 0.000) 5.078 8.557 ( -8.809 0.358 0.000) 8.816 8.761 ( 7.668 -1.310 0.000) 7.779 8.896 ( -3.690 1.619 0.000) 4.030 8.922 ( 6.243 -3.458 0.000) 7.136 9.063 ( -7.395 -6.112 0.000) 9.594 9.526 ( -2.574 -8.380 0.000) 8.767 9.538 ( -3.652 -9.958 0.000) 10.606 11.347 ( 5.543 4.168 0.000) 6.935 11.447 ( -4.236 1.817 0.000) 4.609 12.819 ( 11.885 12.139 0.000) 16.989 13.027 ( -8.020 9.316 0.000) 12.293 14.704 ( 8.059 -7.985 0.000) 11.345 14.900 ( -10.034 -9.555 0.000) 13.856 15.319 ( 12.590 12.584 0.000) 17.800 15.463 ( 3.948 4.071 0.000) 5.671 15.530 ( -1.604 3.211 0.000) 3.589 15.564 ( -11.362 12.222 0.000) 16.688 16.097 ( 12.907 -6.726 0.000) 14.555 16.222 ( 4.797 1.251 0.000) 4.957 16.361 ( -8.725 -1.328 0.000) 8.826 16.379 ( -14.716 -7.486 0.000) 16.511 17.809 ( 4.059 -5.809 0.000) 7.087 17.918 ( -6.875 -8.740 0.000) 11.120 19.011 ( 9.757 -9.035 0.000) 13.298 19.263 ( -15.086 -15.218 0.000) 21.429 19.281 ( 3.141 0.044 0.000) 3.141 19.344 ( -3.090 -1.677 0.000) 3.516 22.032 ( 4.339 3.303 0.000) 5.453 22.105 ( -2.919 1.130 0.000) 3.130 22.214 ( 4.515 1.402 0.000) 4.727 22.300 ( -3.892 -1.018 0.000) 4.023 22.757 ( 2.944 -1.280 0.000) 3.210 22.830 ( -4.138 -3.125 0.000) 5.185 ======================= Grid point 60 (21/84) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 3.857 3.857 0.000) 5.454 3.305 ( -20.382 -20.382 0.000) 28.825 3.848 ( -0.175 -0.175 0.000) 0.248 3.868 ( -2.014 -2.014 0.000) 2.848 3.883 ( 0.474 0.474 0.000) 0.670 3.944 ( -5.652 -5.652 0.000) 7.993 4.137 ( 3.825 3.825 0.000) 5.410 4.193 ( -1.659 -1.659 0.000) 2.346 5.795 ( 2.270 2.270 0.000) 3.211 5.819 ( -0.211 -0.211 0.000) 0.298 6.141 ( 8.647 8.647 0.000) 12.229 6.240 ( -1.148 -1.148 0.000) 1.624 7.167 ( 10.138 10.138 0.000) 14.337 7.247 ( 3.695 3.695 0.000) 5.225 7.544 ( 3.040 3.040 0.000) 4.299 7.621 ( -3.277 -3.277 0.000) 4.634 7.720 ( 6.277 6.277 0.000) 8.877 7.829 ( -1.599 -1.599 0.000) 2.261 7.956 ( 0.870 0.870 0.000) 1.231 8.079 ( -8.272 -8.272 0.000) 11.698 8.403 ( 0.989 0.989 0.000) 1.398 8.473 ( -5.623 -5.623 0.000) 7.953 8.858 ( 7.647 7.647 0.000) 10.814 8.892 ( 0.743 0.743 0.000) 1.050 8.945 ( 0.575 0.575 0.000) 0.813 8.950 ( -4.776 -4.776 0.000) 6.755 9.368 ( -4.544 -4.544 0.000) 6.426 9.392 ( -5.593 -5.593 0.000) 7.909 11.420 ( 2.949 2.949 0.000) 4.171 11.458 ( -0.765 -0.765 0.000) 1.082 13.041 ( 9.128 9.128 0.000) 12.909 13.135 ( 0.506 0.506 0.000) 0.716 14.612 ( -0.175 -0.175 0.000) 0.248 14.705 ( -8.625 -8.625 0.000) 12.197 15.548 ( 3.541 3.541 0.000) 5.007 15.574 ( 12.578 12.578 0.000) 17.787 15.577 ( 0.775 0.775 0.000) 1.095 15.746 ( 0.608 0.608 0.000) 0.861 15.989 ( 1.487 1.487 0.000) 2.102 16.176 ( -11.977 -11.977 0.000) 16.938 16.254 ( 2.255 2.255 0.000) 3.189 16.312 ( -3.181 -3.181 0.000) 4.499 17.754 ( -0.150 -0.150 0.000) 0.212 17.792 ( -3.995 -3.995 0.000) 5.650 18.923 ( 0.324 0.324 0.000) 0.458 19.018 ( -8.939 -8.939 0.000) 12.642 19.292 ( 0.915 0.915 0.000) 1.294 19.315 ( -1.333 -1.333 0.000) 1.886 22.083 ( 1.912 1.912 0.000) 2.704 22.108 ( -0.632 -0.632 0.000) 0.894 22.241 ( 1.408 1.408 0.000) 1.991 22.272 ( -1.605 -1.605 0.000) 2.269 22.750 ( 0.544 0.544 0.000) 0.770 22.777 ( -2.078 -2.078 0.000) 2.939 ======================= Grid point 121 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 0.000 39.591) 39.591 0.737 ( 0.000 0.000 39.591) 39.591 1.510 ( 0.000 0.000 81.142) 81.142 3.244 ( 0.000 0.000 -24.219) 24.219 3.244 ( -0.000 0.000 -24.219) 24.219 3.692 ( 0.000 0.000 11.646) 11.646 4.168 ( 0.000 -0.000 15.305) 15.305 4.168 ( -0.000 0.000 15.305) 15.305 5.274 ( -0.000 -0.000 18.307) 18.307 5.435 ( 0.000 0.000 -21.769) 21.769 6.060 ( -0.000 -0.000 -15.784) 15.784 6.060 ( 0.000 0.000 -15.784) 15.784 6.712 ( -0.000 -0.000 12.488) 12.488 6.712 ( -0.000 0.000 12.488) 12.488 6.991 ( -0.000 -0.000 -52.516) 52.516 7.415 ( 0.000 -0.000 -2.329) 2.329 7.415 ( -0.000 0.000 -2.329) 2.329 7.679 ( 0.000 0.000 21.432) 21.432 8.310 ( 0.000 0.000 -35.486) 35.486 8.368 ( 0.000 -0.000 1.637) 1.637 8.368 ( 0.000 0.000 1.637) 1.637 8.449 ( -0.000 -0.000 4.747) 4.747 8.449 ( -0.000 -0.000 4.747) 4.747 9.056 ( -0.000 -0.000 34.913) 34.913 9.503 ( -0.000 -0.000 -14.999) 14.999 9.677 ( 0.000 0.000 -4.702) 4.702 9.677 ( 0.000 0.000 -4.702) 4.702 9.831 ( 0.000 0.000 14.508) 14.508 11.067 ( 0.000 0.000 8.277) 8.277 11.665 ( 0.000 0.000 -3.349) 3.349 13.099 ( 0.000 0.000 8.328) 8.328 13.099 ( 0.000 0.000 8.328) 8.328 14.903 ( -0.000 0.000 -17.108) 17.108 14.903 ( 0.000 -0.000 -17.108) 17.108 15.487 ( 0.000 0.000 11.002) 11.002 15.487 ( -0.000 0.000 11.002) 11.002 16.451 ( 0.000 0.000 4.204) 4.204 16.900 ( 0.000 0.000 -3.175) 3.175 17.497 ( 0.000 0.000 3.880) 3.880 17.928 ( 0.000 0.000 -0.192) 0.192 17.928 ( 0.000 -0.000 -0.192) 0.192 18.315 ( -0.000 -0.000 -16.398) 16.398 18.776 ( 0.000 0.000 -0.388) 0.388 18.776 ( -0.000 -0.000 -0.388) 0.388 18.977 ( -0.000 0.000 0.293) 0.293 18.977 ( 0.000 0.000 0.293) 0.293 19.026 ( 0.000 0.000 16.742) 16.742 19.798 ( 0.000 0.000 -2.191) 2.191 19.904 ( 0.000 0.000 0.585) 0.585 20.108 ( -0.000 -0.000 -2.448) 2.448 22.108 ( 0.000 0.000 2.168) 2.168 22.395 ( 0.000 0.000 -5.514) 5.514 22.666 ( 0.000 0.000 6.986) 6.986 23.060 ( 0.000 0.000 -2.128) 2.128 ======================= Grid point 122 (23/84) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 29.120 0.000 25.737) 38.863 1.247 ( 40.406 0.000 21.761) 45.893 1.992 ( 41.234 0.000 61.485) 74.032 3.291 ( 4.794 0.000 -23.561) 24.044 3.317 ( 7.363 0.000 -22.372) 23.552 3.860 ( 16.014 0.000 10.019) 18.890 4.157 ( -0.968 0.000 15.332) 15.362 4.187 ( 2.058 0.000 14.669) 14.813 5.241 ( -3.432 0.000 18.917) 19.225 5.460 ( 2.507 0.000 -20.330) 20.484 6.004 ( -5.474 0.000 -15.477) 16.416 6.049 ( -6.140 0.000 -14.784) 16.008 6.700 ( -0.426 0.000 8.916) 8.926 6.922 ( 0.999 0.000 -0.525) 1.129 7.106 ( 9.878 0.000 -47.176) 48.199 7.486 ( 7.032 0.000 -1.288) 7.149 7.544 ( -4.665 0.000 -13.553) 14.334 7.660 ( -1.734 0.000 20.781) 20.853 8.363 ( -0.649 0.000 0.138) 0.663 8.368 ( -1.756 0.000 3.160) 3.615 8.388 ( -5.124 0.000 5.628) 7.611 8.518 ( 12.349 0.000 -26.742) 29.455 8.687 ( 23.481 0.000 -26.072) 35.088 9.102 ( 3.086 0.000 28.927) 29.091 9.440 ( -6.139 0.000 -9.809) 11.572 9.477 ( -5.912 0.000 -0.779) 5.963 9.667 ( -0.028 0.000 0.104) 0.108 10.277 ( 25.769 0.000 -19.578) 32.363 11.032 ( -3.196 0.000 7.744) 8.378 11.630 ( -3.459 0.000 -3.611) 5.001 13.050 ( -4.846 0.000 8.204) 9.528 13.061 ( -4.261 0.000 8.508) 9.515 14.829 ( -7.370 0.000 -10.744) 13.029 14.893 ( -1.079 0.000 -16.967) 17.002 15.345 ( -14.816 0.000 22.592) 27.017 15.451 ( -3.381 0.000 10.877) 11.391 16.200 ( -60.892 0.000 63.355) 87.873 16.418 ( -3.301 0.000 3.661) 4.930 16.946 ( -14.098 0.000 5.947) 15.301 17.349 ( -13.830 0.000 3.339) 14.228 17.646 ( -23.346 0.000 -2.622) 23.492 17.892 ( -31.972 0.000 -4.143) 32.239 18.493 ( 2.682 0.000 3.869) 4.708 18.752 ( -0.633 0.000 -1.333) 1.476 18.884 ( 9.360 0.000 -0.031) 9.360 18.990 ( 6.857 0.000 -4.745) 8.339 19.524 ( 28.546 0.000 12.739) 31.260 19.836 ( -1.406 0.000 3.950) 4.193 20.314 ( 19.440 0.000 -2.742) 19.633 21.316 ( 41.754 0.000 -43.607) 60.374 22.051 ( -5.609 0.000 2.588) 6.177 22.402 ( 1.306 0.000 -6.239) 6.374 22.629 ( -2.179 0.000 7.272) 7.591 23.056 ( -0.314 0.000 -2.295) 2.316 ======================= Grid point 123 (24/84) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 35.965 0.000 15.223) 39.054 2.117 ( 45.059 0.000 10.036) 46.163 2.938 ( 51.083 0.000 39.837) 64.780 3.438 ( 10.024 0.000 -21.008) 23.277 3.536 ( 14.587 0.000 -17.781) 22.999 4.140 ( -0.327 0.000 14.675) 14.679 4.202 ( 8.592 0.000 10.193) 13.331 4.331 ( 20.812 0.000 9.017) 22.681 5.135 ( -7.208 0.000 20.375) 21.612 5.531 ( 4.419 0.000 -16.395) 16.981 5.848 ( -13.204 0.000 -11.576) 17.560 5.856 ( -9.015 0.000 -13.886) 16.556 6.693 ( -0.790 0.000 7.175) 7.218 6.778 ( -14.272 0.000 2.686) 14.522 7.321 ( 10.203 0.000 -37.956) 39.303 7.332 ( -11.471 0.000 -6.694) 13.281 7.607 ( -1.282 0.000 15.531) 15.584 7.686 ( 9.843 0.000 1.365) 9.937 8.258 ( -6.200 0.000 4.442) 7.627 8.302 ( -4.993 0.000 3.315) 5.994 8.375 ( 1.513 0.000 -3.360) 3.685 8.636 ( -0.210 0.000 -16.983) 16.985 8.936 ( 0.954 0.000 -18.742) 18.766 9.104 ( -3.555 0.000 13.483) 13.944 9.313 ( -8.028 0.000 -13.873) 16.028 9.499 ( 8.725 0.000 -2.820) 9.169 9.735 ( 7.619 0.000 14.360) 16.256 10.616 ( 6.522 0.000 -19.235) 20.311 10.977 ( -0.797 0.000 2.050) 2.200 11.527 ( -6.848 0.000 -4.217) 8.042 12.916 ( -8.201 0.000 7.958) 11.427 12.920 ( -9.613 0.000 10.642) 14.341 14.677 ( -4.587 0.000 3.815) 5.966 14.857 ( -2.601 0.000 -15.891) 16.102 15.056 ( -9.757 0.000 22.027) 24.092 15.370 ( -4.121 0.000 9.847) 10.675 15.579 ( -15.492 0.000 24.912) 29.336 16.319 ( -6.589 0.000 2.340) 6.993 16.728 ( -10.439 0.000 -0.140) 10.440 17.029 ( -17.165 0.000 1.283) 17.213 17.144 ( -25.061 0.000 -3.559) 25.312 17.256 ( -30.258 0.000 -1.779) 30.310 18.575 ( 3.779 0.000 2.339) 4.444 18.751 ( 0.208 0.000 0.003) 0.208 19.103 ( 4.344 0.000 -2.912) 5.230 19.121 ( 13.643 0.000 -1.405) 13.715 19.798 ( -2.332 0.000 5.015) 5.531 20.043 ( 22.831 0.000 4.908) 23.352 20.790 ( 25.969 0.000 -0.960) 25.986 21.740 ( 8.970 0.000 -17.768) 19.904 21.902 ( -8.712 0.000 4.316) 9.723 22.459 ( 3.680 0.000 -5.362) 6.504 22.608 ( 0.446 0.000 2.436) 2.476 23.048 ( -0.523 0.000 -2.674) 2.725 ======================= Grid point 124 (25/84) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 34.379 0.000 13.326) 36.871 2.999 ( 42.879 0.000 4.131) 43.077 3.685 ( 14.229 0.000 -14.766) 20.506 3.872 ( 23.640 0.000 -8.400) 25.088 3.974 ( 46.871 0.000 21.509) 51.570 4.171 ( 4.294 0.000 10.592) 11.429 4.324 ( 6.547 0.000 7.926) 10.281 4.833 ( 25.160 0.000 4.145) 25.499 4.954 ( -10.896 0.000 22.020) 24.568 5.549 ( -16.194 0.000 -7.878) 18.009 5.591 ( -2.958 0.000 -11.686) 12.055 5.681 ( -4.896 0.000 -9.848) 10.998 6.396 ( -22.676 0.000 3.257) 22.908 6.661 ( -2.023 0.000 4.851) 5.256 7.137 ( -8.691 0.000 -3.536) 9.383 7.444 ( 1.085 0.000 -13.621) 13.665 7.568 ( -3.417 0.000 8.625) 9.277 7.860 ( 6.788 0.000 -9.537) 11.706 8.165 ( -8.709 0.000 3.254) 9.297 8.182 ( -1.510 0.000 1.916) 2.440 8.444 ( 5.721 0.000 -9.035) 10.694 8.496 ( -12.580 0.000 -7.373) 14.582 8.894 ( -4.601 0.000 -24.208) 24.641 9.021 ( -1.860 0.000 6.042) 6.322 9.149 ( -7.369 0.000 -14.018) 15.837 9.677 ( 6.957 0.000 3.494) 7.785 9.942 ( 11.901 0.000 20.807) 23.970 10.589 ( -5.817 0.000 -5.595) 8.071 11.004 ( 1.877 0.000 -4.194) 4.595 11.366 ( -9.024 0.000 -4.753) 10.199 12.710 ( -10.645 0.000 11.536) 15.697 12.740 ( -9.124 0.000 7.905) 12.073 14.678 ( 3.040 0.000 -5.519) 6.301 14.789 ( -4.063 0.000 -12.759) 13.390 14.955 ( -0.829 0.000 13.472) 13.497 15.306 ( -2.195 0.000 6.896) 7.237 15.342 ( -9.056 0.000 17.416) 19.630 16.154 ( -10.055 0.000 0.973) 10.102 16.526 ( -9.729 0.000 -0.753) 9.758 16.697 ( -19.231 0.000 -3.242) 19.503 16.699 ( -15.378 0.000 0.084) 15.379 16.720 ( -23.067 0.000 -0.779) 23.081 18.625 ( 1.370 0.000 2.430) 2.790 18.750 ( -0.538 0.000 1.083) 1.209 19.181 ( 3.980 0.000 -0.633) 4.030 19.407 ( 14.658 0.000 -3.367) 15.040 19.744 ( -3.045 0.000 5.980) 6.711 20.403 ( 12.439 0.000 -3.239) 12.854 21.273 ( 20.884 0.000 -0.947) 20.905 21.749 ( -4.594 0.000 8.875) 9.993 21.824 ( 1.116 0.000 -7.842) 7.921 22.491 ( -0.986 0.000 3.690) 3.820 22.671 ( 5.540 0.000 -6.777) 8.753 23.035 ( -0.858 0.000 -3.143) 3.258 ======================= Grid point 125 (26/84) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 30.333 0.000 13.577) 33.233 3.795 ( 35.653 0.000 0.718) 35.660 3.957 ( 12.243 0.000 -3.536) 12.744 4.316 ( 22.603 0.000 -6.509) 23.521 4.340 ( 11.501 0.000 -0.167) 11.502 4.459 ( 7.136 0.000 0.965) 7.201 4.732 ( -8.694 0.000 23.192) 24.768 4.870 ( 33.666 0.000 12.191) 35.806 5.233 ( 5.978 0.000 1.046) 6.069 5.261 ( -1.870 0.000 3.755) 4.194 5.389 ( -12.558 0.000 -7.322) 14.536 5.639 ( -4.999 0.000 -3.297) 5.988 5.952 ( -18.029 0.000 1.524) 18.094 6.648 ( 1.724 0.000 1.246) 2.127 6.974 ( -7.551 0.000 -2.206) 7.867 7.287 ( -18.783 0.000 -3.728) 19.150 7.510 ( 0.801 0.000 11.533) 11.561 7.964 ( -11.074 0.000 4.073) 11.800 8.007 ( 7.242 0.000 -17.773) 19.192 8.126 ( -3.582 0.000 -0.721) 3.654 8.213 ( -14.037 0.000 -4.182) 14.647 8.593 ( 8.690 0.000 -15.469) 17.743 8.733 ( -10.997 0.000 -21.453) 24.107 9.035 ( -4.874 0.000 -19.893) 20.482 9.111 ( 10.479 0.000 6.725) 12.452 9.734 ( -1.739 0.000 10.722) 10.862 10.168 ( 10.182 0.000 18.518) 21.133 10.474 ( -4.695 0.000 -3.084) 5.618 11.021 ( 0.001 0.000 -1.957) 1.957 11.188 ( -8.225 0.000 -4.679) 9.463 12.526 ( -7.291 0.000 11.015) 13.209 12.570 ( -7.503 0.000 8.313) 11.198 14.711 ( -3.234 0.000 -9.153) 9.708 14.722 ( 0.292 0.000 -11.921) 11.924 15.013 ( 5.580 0.000 8.174) 9.897 15.242 ( 0.328 0.000 15.941) 15.945 15.274 ( -1.517 0.000 3.916) 4.199 15.918 ( -13.618 0.000 0.970) 13.653 16.345 ( -8.221 0.000 -1.432) 8.345 16.352 ( -13.189 0.000 -0.635) 13.205 16.399 ( -10.952 0.000 -2.141) 11.159 16.436 ( -10.682 0.000 -0.384) 10.689 18.641 ( 0.545 0.000 2.526) 2.584 18.726 ( -1.728 0.000 1.660) 2.396 19.274 ( 5.512 0.000 1.282) 5.659 19.620 ( -0.631 0.000 0.429) 0.763 19.754 ( 11.344 0.000 0.308) 11.348 20.502 ( -2.678 0.000 -8.200) 8.626 21.533 ( 5.945 0.000 -0.465) 5.963 21.812 ( -2.051 0.000 -4.102) 4.586 21.836 ( 12.923 0.000 10.732) 16.798 22.434 ( -4.527 0.000 5.796) 7.354 22.790 ( 5.879 0.000 -7.100) 9.218 23.011 ( -1.617 0.000 -3.746) 4.080 ======================= Grid point 126 (27/84) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 24.394 0.000 13.070) 27.675 4.002 ( -8.849 0.000 6.427) 10.937 4.402 ( 9.744 0.000 0.847) 9.781 4.498 ( 21.467 0.000 2.889) 21.661 4.528 ( -2.514 0.000 -5.837) 6.355 4.715 ( 12.648 0.000 0.223) 12.650 4.839 ( 14.732 0.000 4.902) 15.526 4.955 ( -3.663 0.000 1.162) 3.843 5.141 ( -11.382 0.000 -1.068) 11.432 5.180 ( -15.475 0.000 -0.249) 15.477 5.351 ( 1.199 0.000 10.474) 10.543 5.457 ( -10.921 0.000 1.179) 10.984 6.104 ( 32.027 0.000 2.700) 32.140 6.732 ( 4.096 0.000 -1.168) 4.259 6.776 ( -29.591 0.000 1.518) 29.630 6.847 ( -5.435 0.000 -1.402) 5.613 7.581 ( 6.151 0.000 8.929) 10.842 7.747 ( -10.172 0.000 6.171) 11.897 7.984 ( -3.635 0.000 -4.103) 5.482 8.000 ( -6.129 0.000 -3.498) 7.056 8.247 ( 11.403 0.000 -16.054) 19.692 8.491 ( -12.672 0.000 -18.370) 22.317 8.770 ( 8.634 0.000 -21.017) 22.721 8.924 ( -6.660 0.000 -22.579) 23.540 9.368 ( 13.698 0.000 9.736) 16.805 9.612 ( -9.975 0.000 12.189) 15.750 10.329 ( 5.737 0.000 11.473) 12.827 10.406 ( -2.787 0.000 2.405) 3.681 11.020 ( 0.386 0.000 -1.388) 1.441 11.061 ( -4.206 0.000 -3.274) 5.331 12.434 ( -1.719 0.000 10.151) 10.295 12.456 ( -3.687 0.000 9.157) 9.871 14.675 ( -0.252 0.000 -7.404) 7.408 14.697 ( -1.975 0.000 -8.693) 8.914 15.125 ( 5.463 0.000 4.688) 7.199 15.223 ( -3.913 0.000 3.347) 5.149 15.371 ( 11.176 0.000 8.495) 14.038 15.632 ( -14.362 0.000 3.184) 14.711 16.195 ( -2.931 0.000 -1.378) 3.239 16.215 ( -4.330 0.000 -1.872) 4.717 16.262 ( -2.810 0.000 -1.152) 3.037 16.283 ( -4.610 0.000 -0.539) 4.641 18.657 ( 1.148 0.000 2.397) 2.658 18.688 ( -1.914 0.000 2.072) 2.821 19.397 ( 6.576 0.000 2.753) 7.129 19.526 ( -6.179 0.000 3.556) 7.130 20.047 ( 15.444 0.000 -5.478) 16.386 20.334 ( -12.650 0.000 -7.818) 14.871 21.642 ( 5.708 0.000 0.541) 5.733 21.747 ( -4.452 0.000 -1.577) 4.723 22.105 ( 12.336 0.000 7.585) 14.482 22.309 ( -8.194 0.000 6.452) 10.429 22.894 ( 4.470 0.000 -5.749) 7.282 22.967 ( -2.883 0.000 -4.591) 5.421 ======================= Grid point 133 (28/84) ======================= q-point: ( 0.09 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 14.253 14.253 26.590) 33.366 1.516 ( 24.010 24.010 29.665) 45.089 2.516 ( 41.529 41.529 39.141) 70.578 3.298 ( 2.582 2.582 -22.833) 23.124 3.434 ( 9.785 9.785 -20.861) 25.034 4.013 ( 14.010 14.010 8.935) 21.735 4.171 ( 1.028 1.028 14.308) 14.382 4.190 ( 1.468 1.468 14.603) 14.750 5.209 ( -3.152 -3.152 19.443) 19.947 5.483 ( 2.351 2.351 -18.963) 19.253 5.831 ( -12.648 -12.648 -13.350) 22.320 6.114 ( 2.501 2.501 -14.987) 15.399 6.776 ( 3.054 3.054 11.374) 12.166 6.895 ( -6.060 -6.060 -2.507) 8.930 7.167 ( 5.726 5.726 -44.423) 45.155 7.478 ( 2.970 2.970 -1.835) 4.584 7.488 ( -5.001 -5.001 -7.153) 10.059 7.641 ( -1.784 -1.784 20.274) 20.430 8.336 ( -1.615 -1.615 1.204) 2.582 8.351 ( -1.655 -1.655 1.006) 2.547 8.440 ( -0.446 -0.446 4.543) 4.587 8.549 ( 2.904 2.904 -21.191) 21.585 8.809 ( 6.435 6.435 -19.127) 21.182 9.200 ( 9.706 9.706 18.387) 22.945 9.396 ( -5.108 -5.108 -14.455) 16.159 9.427 ( -1.192 -1.192 4.893) 5.175 9.632 ( -2.491 -2.491 -3.824) 5.199 10.489 ( 15.634 15.634 -23.536) 32.292 10.983 ( -4.554 -4.554 7.601) 9.962 11.609 ( -2.213 -2.213 -3.776) 4.904 12.928 ( -8.329 -8.329 8.680) 14.632 13.101 ( 0.113 0.113 8.367) 8.368 14.691 ( -9.373 -9.373 -2.557) 13.500 14.947 ( 2.114 2.114 -16.948) 17.210 15.156 ( -11.705 -11.705 22.156) 27.657 15.537 ( 2.373 2.373 11.077) 11.574 15.779 ( -26.114 -26.114 49.186) 61.507 16.392 ( -3.208 -3.208 4.494) 6.386 16.822 ( -9.429 -9.429 0.352) 13.340 17.165 ( -15.688 -15.688 2.680) 22.347 17.737 ( -16.139 -16.139 -4.359) 23.237 17.906 ( -1.017 -1.017 -0.176) 1.449 17.932 ( -12.934 -12.934 1.045) 18.322 18.787 ( 0.573 0.573 -0.292) 0.862 18.992 ( 0.768 0.768 0.171) 1.100 18.992 ( 3.452 3.452 -3.348) 5.919 19.778 ( 6.628 6.628 4.630) 10.454 19.833 ( 12.072 12.072 8.501) 19.071 20.512 ( 18.332 18.332 -2.025) 26.004 21.571 ( 15.298 15.298 -30.010) 36.995 21.987 ( -5.451 -5.451 1.806) 7.918 22.412 ( 1.141 1.141 -5.242) 5.485 22.617 ( -0.496 -0.496 5.809) 5.851 23.073 ( 0.900 0.900 -3.125) 3.374 ======================= Grid point 134 (29/84) ======================= q-point: ( 0.18 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 38.118 -7.781 12.547) 40.877 2.107 ( 33.784 10.432 27.379) 44.719 3.379 ( 23.196 15.693 -1.651) 28.054 3.427 ( 29.273 18.209 2.124) 34.540 3.703 ( 17.800 14.563 -14.064) 26.958 4.135 ( -0.001 -0.541 12.926) 12.938 4.247 ( 5.158 3.600 11.637) 13.228 4.453 ( 24.032 12.993 6.654) 28.118 5.114 ( -6.499 -2.187 20.755) 21.859 5.546 ( -1.727 -2.862 -14.034) 14.426 5.563 ( -8.363 -10.460 -12.173) 18.098 6.094 ( -4.822 10.146 -13.259) 17.377 6.610 ( -19.199 -13.200 3.251) 23.525 6.812 ( -0.238 6.166 7.831) 9.970 7.287 ( -0.915 -2.519 -17.547) 17.750 7.381 ( 0.902 4.795 -23.122) 23.631 7.587 ( -0.992 -1.782 14.067) 14.214 7.645 ( 8.068 -3.482 1.438) 8.905 8.254 ( -5.976 -0.144 0.280) 5.984 8.330 ( -2.574 -0.543 0.695) 2.721 8.380 ( -1.655 2.176 -0.452) 2.771 8.574 ( -2.453 -5.789 -11.863) 13.427 8.874 ( 2.383 -1.566 -14.099) 14.385 9.241 ( -7.728 1.499 -3.152) 8.480 9.288 ( -5.638 3.563 0.632) 6.699 9.513 ( 7.189 1.827 -1.752) 7.622 9.667 ( 8.450 -5.655 6.092) 11.853 10.698 ( 1.200 6.512 -12.364) 14.026 10.905 ( 0.074 -6.464 0.281) 6.471 11.538 ( -4.980 0.714 -4.150) 6.521 12.741 ( -9.882 -9.398 9.214) 16.458 13.051 ( -5.210 5.173 8.821) 11.477 14.553 ( -3.000 -7.634 0.373) 8.211 14.959 ( -1.730 4.849 -9.597) 10.891 14.972 ( -5.480 -4.789 9.521) 11.984 15.365 ( -12.605 -6.309 23.960) 27.799 15.564 ( -2.784 3.387 12.838) 13.566 16.293 ( -6.621 -2.862 3.277) 7.923 16.617 ( -10.699 -8.869 -1.028) 13.935 16.809 ( -18.282 -14.320 0.775) 23.236 17.293 ( -25.026 1.199 -3.864) 25.351 17.386 ( -24.470 14.469 -0.468) 28.432 18.199 ( 11.004 -23.956 1.178) 26.389 18.913 ( -2.999 4.710 -0.621) 5.618 18.940 ( 10.975 -10.312 -1.376) 15.122 19.085 ( 3.890 -3.951 -0.487) 5.566 19.746 ( -2.501 -3.942 4.594) 6.550 20.216 ( 17.453 13.018 2.898) 21.965 20.943 ( 22.948 13.748 -0.603) 26.758 21.725 ( -0.795 -3.001 -4.943) 5.837 21.905 ( -0.528 1.881 -5.735) 6.058 22.449 ( 2.348 -0.559 -2.142) 3.227 22.624 ( 1.258 1.466 1.162) 2.254 23.077 ( -0.461 2.036 -3.392) 3.982 ======================= Grid point 135 (30/84) ======================= q-point: ( 0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 37.885 -5.294 5.585) 38.659 2.832 ( 38.853 -4.608 21.938) 44.856 3.605 ( 13.036 -4.467 -16.072) 21.171 4.018 ( 16.607 10.322 -5.771) 20.387 4.150 ( 9.245 2.818 8.095) 12.607 4.306 ( 24.205 14.345 9.723) 29.769 4.427 ( 21.450 16.645 7.841) 28.260 4.941 ( 10.975 7.155 10.328) 16.683 4.970 ( 5.004 5.449 15.245) 16.946 5.272 ( -13.713 -14.779 -5.990) 21.032 5.632 ( 2.579 1.470 -9.804) 10.244 5.934 ( -10.755 15.112 -9.891) 21.021 6.190 ( -21.072 -16.357 3.829) 26.949 6.790 ( -1.884 9.068 4.326) 10.223 7.107 ( -12.625 -6.170 -1.919) 14.182 7.455 ( 0.371 2.295 -13.153) 13.357 7.544 ( -3.522 -1.621 9.776) 10.517 7.794 ( 6.479 -5.112 -12.094) 14.641 8.132 ( -6.481 -1.133 -0.290) 6.586 8.235 ( -4.935 3.203 2.620) 6.440 8.424 ( 4.242 -2.023 -10.295) 11.317 8.487 ( -4.480 -0.950 -4.325) 6.299 8.896 ( -2.629 0.543 -21.149) 21.319 9.082 ( -5.133 0.452 -3.291) 6.114 9.128 ( -8.521 1.902 -6.202) 10.709 9.647 ( 5.840 -3.487 9.354) 11.566 9.881 ( 10.958 -4.722 10.899) 16.160 10.576 ( -9.256 -2.681 0.329) 9.643 10.971 ( 3.536 -1.659 -5.288) 6.574 11.414 ( -7.227 3.872 -4.333) 9.273 12.559 ( -7.891 -7.396 9.134) 14.156 12.902 ( -9.306 8.652 9.372) 15.789 14.562 ( 2.573 -6.395 -8.691) 11.093 14.907 ( 0.394 -2.231 11.523) 11.744 14.924 ( -2.430 6.702 -10.611) 12.783 15.207 ( -3.984 -5.701 14.448) 16.035 15.479 ( -5.351 8.999 10.437) 14.784 16.130 ( -9.767 -2.665 1.904) 10.301 16.407 ( -10.171 -7.817 -2.007) 12.984 16.486 ( -13.616 -11.081 -0.408) 17.560 16.825 ( -20.999 6.322 -1.856) 22.008 16.931 ( -20.850 12.406 -0.849) 24.277 18.365 ( 6.118 -18.454 1.822) 19.527 18.823 ( -5.105 0.496 0.140) 5.131 19.139 ( 5.843 -4.041 -1.001) 7.174 19.253 ( 14.637 -12.590 -1.031) 19.334 19.692 ( -3.069 -4.060 5.009) 7.141 20.463 ( 6.303 3.262 -3.776) 8.039 21.363 ( 17.549 8.051 -1.259) 19.349 21.672 ( -0.059 -3.166 6.447) 7.183 21.921 ( 0.453 5.670 -5.316) 7.786 22.479 ( 0.032 -0.876 3.767) 3.868 22.674 ( 3.895 0.454 -4.750) 6.160 23.058 ( -1.444 1.658 -3.513) 4.144 ======================= Grid point 136 (31/84) ======================= q-point: ( 0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 30.902 1.528 8.960) 32.211 3.620 ( 38.607 -12.838 10.672) 42.062 3.893 ( 14.219 -5.746 -7.533) 17.086 4.202 ( 9.716 -6.110 4.642) 12.381 4.437 ( 10.003 4.241 -0.302) 10.869 4.557 ( 5.575 6.266 -2.930) 8.884 4.711 ( 3.446 4.484 14.404) 15.475 4.972 ( -3.282 -4.772 0.003) 5.791 5.187 ( 12.884 7.484 13.434) 20.062 5.277 ( 2.860 3.259 1.001) 4.450 5.600 ( -6.970 9.416 -6.683) 13.487 5.719 ( -4.349 11.582 -0.818) 12.399 5.891 ( -5.238 -2.597 0.812) 5.903 6.759 ( -0.845 5.665 0.856) 5.791 6.833 ( -12.931 -11.261 -1.038) 17.178 7.315 ( -13.321 4.637 -2.944) 14.409 7.507 ( 1.247 -0.108 10.875) 10.947 7.900 ( -1.190 -4.401 -7.137) 8.469 7.994 ( -2.865 -0.069 -8.629) 9.093 8.160 ( -1.574 3.645 -0.557) 4.009 8.336 ( -10.097 6.845 -7.071) 14.099 8.564 ( 7.751 -2.842 -14.155) 16.387 8.730 ( -11.501 -0.327 -17.922) 21.297 8.993 ( -5.415 -3.383 -17.618) 18.740 9.132 ( 8.769 1.497 4.199) 9.837 9.702 ( -1.218 -3.333 13.533) 13.991 10.077 ( 8.449 -7.885 11.685) 16.435 10.405 ( -7.074 -6.990 0.661) 9.967 11.022 ( 1.857 1.044 -1.857) 2.826 11.266 ( -7.288 5.985 -3.744) 10.147 12.444 ( -3.320 -3.311 9.096) 10.233 12.705 ( -9.890 8.743 9.396) 16.203 14.615 ( 2.654 -2.992 -10.394) 11.137 14.877 ( -2.833 8.335 -10.636) 13.807 14.979 ( 5.772 -2.215 6.572) 9.024 15.191 ( 2.992 -3.602 13.790) 14.563 15.373 ( -5.032 7.701 7.125) 11.636 15.906 ( -12.657 -1.651 1.723) 12.880 16.233 ( -6.604 -5.171 -2.951) 8.891 16.269 ( -8.281 -6.771 -1.843) 10.854 16.483 ( -13.012 5.687 0.614) 14.214 16.573 ( -14.857 8.651 -0.901) 17.216 18.461 ( 3.976 -14.102 2.146) 14.808 18.717 ( -5.271 -4.102 0.850) 6.733 19.254 ( 6.105 -1.905 1.175) 6.502 19.557 ( 11.721 -9.451 -2.915) 15.337 19.630 ( 0.306 -7.151 4.242) 8.321 20.448 ( -7.260 -6.324 -7.173) 12.006 21.574 ( 6.174 4.048 0.441) 7.396 21.808 ( 7.875 2.465 0.377) 8.260 21.933 ( 3.849 6.069 3.540) 8.011 22.440 ( -3.923 0.569 6.060) 7.241 22.769 ( 5.318 -1.721 -6.001) 8.201 23.020 ( -2.447 0.463 -3.783) 4.529 ======================= Grid point 137 (32/84) ======================= q-point: ( 0.45 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 23.833 2.481 11.310) 26.497 4.006 ( -6.186 0.162 5.746) 8.444 4.289 ( 21.756 -10.992 0.197) 24.376 4.375 ( 5.437 -6.475 2.085) 8.708 4.492 ( -5.596 -5.226 -3.231) 8.311 4.581 ( 15.085 -11.762 6.297) 20.139 4.902 ( -10.102 -9.797 3.636) 14.535 4.974 ( 6.532 8.148 2.470) 10.732 5.068 ( 1.653 -0.276 3.945) 4.286 5.312 ( -9.416 12.252 -2.547) 15.661 5.365 ( -2.434 4.345 2.709) 5.669 5.586 ( -13.549 7.632 0.845) 15.573 6.190 ( 24.705 8.260 2.467) 26.166 6.573 ( -13.128 -10.611 0.097) 16.880 6.831 ( 6.135 9.122 -0.333) 10.998 7.026 ( -13.698 10.486 -0.307) 17.253 7.579 ( 5.929 -0.154 8.455) 10.328 7.737 ( -9.487 -0.917 5.458) 10.983 8.005 ( 1.289 3.374 -8.006) 8.783 8.107 ( -8.949 7.138 -5.713) 12.793 8.265 ( 9.195 1.926 -11.894) 15.157 8.487 ( -12.164 -0.305 -15.571) 19.761 8.729 ( 8.218 -4.008 -20.772) 22.695 8.879 ( -6.557 -4.357 -22.062) 23.424 9.361 ( 12.654 -0.786 9.840) 16.049 9.590 ( -9.457 -2.192 13.323) 16.485 10.213 ( 5.306 -9.972 8.151) 13.930 10.300 ( -4.043 -9.616 3.504) 11.004 11.063 ( 2.668 4.043 -0.978) 4.942 11.139 ( -5.165 6.060 -2.203) 8.262 12.434 ( 2.299 1.558 9.200) 9.610 12.531 ( -7.188 5.965 9.296) 13.179 14.683 ( 4.452 2.434 -8.114) 9.571 14.788 ( -5.634 6.856 -8.989) 12.632 15.106 ( 6.906 -0.994 4.698) 8.412 15.237 ( -5.011 0.232 6.259) 8.022 15.374 ( 10.478 1.134 6.997) 12.651 15.635 ( -14.143 -0.358 3.683) 14.619 16.154 ( -1.376 -2.294 -3.532) 4.431 16.166 ( -2.303 -3.137 -5.002) 6.338 16.313 ( -3.711 3.524 2.345) 5.629 16.351 ( -7.089 4.983 0.577) 8.685 18.536 ( 3.809 -10.652 2.016) 11.491 18.619 ( -4.574 -7.572 1.525) 8.976 19.380 ( 6.505 -1.610 2.522) 7.160 19.505 ( -5.835 -2.011 3.443) 7.067 19.908 ( 16.419 -12.803 -4.682) 21.340 20.221 ( -14.402 -10.932 -6.534) 19.225 21.697 ( 6.132 4.998 -0.061) 7.911 21.803 ( -4.143 4.941 -2.637) 6.967 22.133 ( 11.278 2.583 7.219) 13.637 22.324 ( -7.753 1.391 6.453) 10.183 22.873 ( 4.885 -1.936 -5.136) 7.348 22.959 ( -3.696 -0.924 -4.302) 5.746 ======================= Grid point 145 (33/84) ======================= q-point: ( 0.18 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 16.246 16.246 15.367) 27.640 2.474 ( 23.557 23.557 26.980) 42.870 3.428 ( 3.650 3.650 -19.753) 20.416 3.950 ( 19.742 19.742 -9.795) 29.588 4.112 ( -1.468 -1.468 11.590) 11.775 4.198 ( 27.880 27.880 9.829) 40.635 4.393 ( 15.616 15.616 6.906) 23.139 4.820 ( 22.538 22.538 3.953) 32.117 5.050 ( -3.981 -3.981 20.814) 21.562 5.261 ( -13.915 -13.915 -6.247) 20.647 5.609 ( 3.750 3.750 -11.946) 13.070 6.230 ( 2.908 2.908 -12.115) 12.794 6.237 ( -21.888 -21.888 4.669) 31.304 6.937 ( 4.814 4.814 8.589) 10.960 7.148 ( -13.236 -13.236 -6.033) 19.666 7.497 ( 5.320 5.320 -32.229) 33.095 7.552 ( -2.074 -2.074 15.764) 16.035 7.623 ( 3.463 3.463 0.272) 4.905 8.242 ( -3.047 -3.047 0.193) 4.313 8.276 ( -2.234 -2.234 -9.968) 10.457 8.411 ( -1.037 -1.037 4.014) 4.274 8.467 ( -2.905 -2.905 -5.740) 7.059 8.896 ( 2.947 2.947 -16.943) 17.448 9.124 ( -8.223 -8.223 -12.645) 17.180 9.402 ( 1.510 1.510 22.865) 22.964 9.466 ( -5.899 -5.899 -2.317) 8.658 9.671 ( 7.160 7.160 -5.093) 11.334 10.685 ( -10.244 -10.244 5.745) 15.584 10.875 ( 5.557 5.557 -9.479) 12.313 11.537 ( -1.214 -1.214 -4.284) 4.616 12.563 ( -7.923 -7.923 8.558) 14.100 13.112 ( 0.500 0.500 8.476) 8.506 14.450 ( -2.188 -2.188 -4.859) 5.760 14.870 ( -3.262 -3.262 10.366) 11.346 15.057 ( 3.218 3.218 -16.530) 17.145 15.183 ( -8.741 -8.741 23.326) 26.399 15.656 ( 3.314 3.314 11.225) 12.164 16.200 ( -6.567 -6.567 3.384) 9.885 16.433 ( -9.160 -9.160 -1.377) 13.027 16.507 ( -14.780 -14.780 0.680) 20.914 17.203 ( -11.111 -11.111 -6.155) 16.876 17.529 ( -9.543 -9.543 1.919) 13.631 17.855 ( -1.445 -1.445 -0.159) 2.050 18.818 ( 0.949 0.949 -0.132) 1.349 18.909 ( -6.602 -6.602 -1.101) 9.402 19.041 ( 1.726 1.726 -0.066) 2.441 19.673 ( -3.202 -3.202 4.810) 6.606 20.431 ( 6.674 6.674 -1.174) 9.511 21.260 ( 16.478 16.478 -0.678) 23.314 21.646 ( -2.807 -2.807 4.373) 5.907 21.968 ( 3.329 3.329 -9.228) 10.360 22.450 ( 0.714 0.714 1.801) 2.065 22.657 ( 1.612 1.612 -0.437) 2.322 23.099 ( -0.087 -0.087 -3.715) 3.717 ======================= Grid point 146 (34/84) ======================= q-point: ( 0.27 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 35.475 -6.376 8.107) 36.944 2.983 ( 26.815 15.310 26.387) 40.617 3.548 ( 8.544 -1.057 -16.783) 18.863 4.081 ( -0.730 -1.864 9.602) 9.809 4.326 ( 16.513 12.616 -4.324) 21.226 4.527 ( 13.441 11.877 -1.185) 17.976 4.774 ( 4.076 6.265 9.281) 11.916 4.949 ( -7.104 -7.703 -1.627) 10.604 5.164 ( 11.224 12.087 15.873) 22.892 5.278 ( 20.285 20.202 1.294) 28.658 5.675 ( 1.476 3.152 -6.061) 6.990 5.856 ( -9.894 -12.729 4.590) 16.763 6.197 ( -6.110 10.375 -8.914) 14.981 6.761 ( -22.421 -23.528 -1.444) 32.532 7.001 ( 0.768 7.648 5.731) 9.588 7.507 ( -1.317 -0.368 11.302) 11.384 7.583 ( 0.046 7.114 -14.357) 16.023 7.717 ( 5.774 -1.746 -12.813) 14.162 8.125 ( -6.775 0.023 -3.277) 7.526 8.259 ( -1.398 -2.203 -7.886) 8.306 8.382 ( 0.207 -1.181 -3.702) 3.891 8.458 ( 0.902 -1.883 -2.948) 3.612 8.902 ( -7.738 -1.895 -13.917) 16.036 9.003 ( 1.028 -3.224 -15.444) 15.811 9.221 ( -11.491 3.187 2.835) 12.257 9.527 ( 5.169 -7.735 18.423) 20.639 9.816 ( 6.401 -1.268 -0.314) 6.533 10.446 ( -12.636 -9.960 4.293) 16.652 10.981 ( 4.705 2.467 -2.555) 5.895 11.483 ( -4.160 2.451 -4.405) 6.536 12.443 ( -3.836 -3.891 7.981) 9.672 13.059 ( -5.827 6.691 8.806) 12.501 14.470 ( 3.978 -2.533 -9.866) 10.935 14.859 ( 2.366 -0.831 8.022) 8.405 15.034 ( -3.067 0.902 8.876) 9.434 15.125 ( 0.917 0.254 -5.368) 5.451 15.659 ( -3.146 8.344 10.967) 14.135 16.035 ( -9.715 -7.120 2.092) 12.225 16.235 ( -9.227 -10.819 -1.925) 14.349 16.293 ( -7.371 -6.239 -0.046) 9.657 16.897 ( -17.592 -0.145 -5.150) 18.331 17.148 ( -21.702 7.574 1.662) 23.046 17.993 ( 8.646 -16.801 0.698) 18.908 18.739 ( -9.250 -8.166 -0.417) 12.346 18.961 ( 11.755 -10.579 -1.007) 15.846 19.114 ( 5.162 -1.504 0.496) 5.400 19.614 ( -2.973 -3.535 4.522) 6.463 20.441 ( -5.627 -6.261 -4.505) 9.548 21.534 ( 9.431 7.831 -0.875) 12.289 21.692 ( 8.712 5.730 5.638) 11.854 22.017 ( 1.478 3.879 -5.890) 7.205 22.470 ( 0.791 0.099 4.894) 4.958 22.685 ( 1.476 0.435 -2.552) 2.980 23.075 ( -2.252 -0.308 -3.497) 4.171 ======================= Grid point 147 (35/84) ======================= q-point: ( 0.36 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 38.671 -12.673 0.573) 40.699 3.526 ( 27.705 5.501 25.676) 38.172 3.768 ( 13.239 -5.864 -11.209) 18.311 4.098 ( 2.988 -4.652 6.499) 8.533 4.489 ( -2.795 0.295 3.263) 4.306 4.538 ( -11.374 -6.587 1.530) 13.232 4.895 ( 5.124 3.477 0.985) 6.270 4.971 ( 14.396 12.415 5.119) 19.688 5.089 ( -12.669 -9.389 4.182) 16.314 5.502 ( -2.790 11.310 2.965) 12.020 5.744 ( 0.210 3.894 -3.829) 5.465 5.999 ( -11.110 13.021 -4.274) 17.642 6.038 ( 20.345 18.833 3.898) 27.996 6.406 ( -6.592 -21.038 0.187) 22.048 7.004 ( 0.274 11.774 1.723) 11.902 7.465 ( -8.974 8.280 -1.285) 12.277 7.511 ( 0.848 1.437 8.335) 8.501 7.825 ( 1.248 -2.859 -10.695) 11.140 8.007 ( -2.444 0.827 -9.956) 10.285 8.224 ( -1.034 1.733 -3.300) 3.868 8.398 ( -2.175 -0.572 -14.061) 14.240 8.490 ( 3.825 -4.329 -10.034) 11.578 8.699 ( -10.976 -3.820 -9.447) 14.976 8.937 ( -9.366 -1.413 -16.008) 18.601 9.155 ( 6.343 0.467 3.544) 7.281 9.599 ( 0.774 -6.727 19.600) 20.736 9.921 ( 4.348 -6.476 4.311) 8.912 10.214 ( -9.831 -11.464 3.029) 15.402 11.066 ( 4.044 3.015 -0.016) 5.044 11.379 ( -5.991 4.853 -3.900) 8.640 12.420 ( 1.671 1.144 7.947) 8.201 12.894 ( -10.125 10.006 8.949) 16.814 14.589 ( 7.521 -0.172 -10.507) 12.922 14.957 ( 6.903 0.865 5.517) 8.879 15.018 ( -0.239 3.935 -0.910) 4.046 15.135 ( 1.444 -0.028 2.320) 2.732 15.546 ( -7.300 9.161 9.532) 15.101 15.825 ( -11.246 -6.922 1.737) 13.319 16.122 ( -2.375 -6.418 -4.201) 8.030 16.174 ( -4.412 -2.087 -1.329) 5.058 16.569 ( -14.191 2.564 -1.440) 14.492 16.745 ( -18.077 7.699 1.413) 19.699 18.146 ( 6.836 -16.261 1.141) 17.676 18.560 ( -8.457 -10.840 0.240) 13.751 19.199 ( 8.515 -5.326 -1.047) 10.098 19.275 ( 13.681 -12.689 0.101) 18.660 19.546 ( -3.963 -3.364 3.745) 6.407 20.240 ( -13.561 -14.051 -5.120) 20.188 21.682 ( 6.894 6.321 0.539) 9.369 21.896 ( 7.653 5.545 -1.647) 9.593 22.043 ( 2.945 4.615 1.571) 5.695 22.454 ( -2.870 0.711 6.694) 7.318 22.734 ( 3.700 -1.738 -4.185) 5.850 23.014 ( -3.757 -1.198 -3.285) 5.133 ======================= Grid point 148 (36/84) ======================= q-point: ( 0.45 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( 26.997 -3.072 2.396) 27.277 3.989 ( 1.912 -2.527 3.109) 4.439 4.057 ( 21.363 -9.554 5.500) 24.040 4.256 ( 6.729 -7.635 0.440) 10.186 4.317 ( -0.099 -10.886 8.170) 13.611 4.359 ( -2.451 -7.474 4.306) 8.967 4.610 ( -16.832 -15.381 4.318) 23.206 4.953 ( -28.082 -10.608 10.289) 31.733 5.260 ( 17.519 13.866 0.095) 22.343 5.464 ( 13.656 8.825 0.319) 16.263 5.600 ( -14.369 11.898 -4.914) 19.292 5.748 ( -12.337 9.985 2.033) 16.001 6.410 ( 11.770 12.484 0.102) 17.158 6.467 ( 4.855 2.292 0.155) 5.371 7.059 ( 6.407 12.871 -0.147) 14.379 7.250 ( -11.335 11.811 -0.836) 16.391 7.577 ( 5.434 0.075 7.205) 9.025 7.718 ( -8.115 -0.762 3.720) 8.959 8.072 ( 6.034 2.184 -17.417) 18.562 8.209 ( -5.127 2.437 -13.633) 14.768 8.322 ( 2.132 2.826 -4.079) 5.401 8.478 ( -10.508 -0.957 -6.395) 12.339 8.617 ( 7.445 -6.945 -19.915) 22.366 8.768 ( -7.675 -6.008 -19.985) 22.235 9.333 ( 10.277 -2.138 9.862) 14.403 9.525 ( -7.843 -4.235 15.854) 18.187 9.999 ( 3.645 -10.297 6.431) 12.676 10.075 ( -4.590 -11.999 4.556) 13.631 11.151 ( 4.744 4.429 -0.640) 6.521 11.258 ( -5.907 5.384 -2.468) 8.364 12.508 ( 6.961 5.987 8.268) 12.356 12.684 ( -10.296 9.400 8.680) 16.422 14.757 ( 9.072 4.073 -9.297) 13.613 14.932 ( -7.736 6.616 -9.998) 14.268 15.112 ( 8.239 1.927 6.221) 10.502 15.217 ( 1.759 -1.594 8.578) 8.900 15.433 ( -0.109 4.503 6.699) 8.072 15.593 ( -11.716 -4.066 3.534) 12.896 16.113 ( 0.822 -1.721 -6.965) 7.221 16.132 ( -0.399 -0.028 -6.352) 6.365 16.376 ( -3.724 2.431 3.843) 5.878 16.454 ( -10.460 4.873 2.905) 11.899 18.274 ( 6.308 -14.629 1.161) 15.973 18.406 ( -7.085 -12.921 0.809) 14.758 19.336 ( 6.296 -2.687 1.387) 6.985 19.453 ( -5.257 -3.227 2.614) 6.699 19.596 ( 16.988 -16.992 -2.631) 24.172 19.934 ( -16.590 -16.869 -4.197) 24.029 21.813 ( 6.046 6.046 -1.271) 8.644 21.912 ( -3.456 5.367 -4.001) 7.534 22.191 ( 9.217 2.787 6.140) 11.420 22.355 ( -6.893 1.383 6.299) 9.439 22.826 ( 5.183 -2.590 -3.790) 6.923 22.928 ( -4.859 -2.165 -3.342) 6.282 ======================= Grid point 157 (37/84) ======================= q-point: ( 0.27 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 14.236 14.236 9.198) 22.134 3.339 ( 19.338 19.338 25.382) 37.312 3.568 ( 3.207 3.207 -15.658) 16.301 4.035 ( -2.188 -2.188 7.774) 8.367 4.506 ( 0.854 0.854 -1.989) 2.326 4.592 ( -5.902 -5.902 2.247) 8.644 4.887 ( 3.486 3.486 3.874) 6.270 4.940 ( 15.326 15.326 3.910) 22.024 5.132 ( -13.977 -13.977 5.491) 20.515 5.719 ( 17.594 17.594 -1.961) 24.958 5.767 ( 7.696 7.696 -3.286) 11.369 5.984 ( 22.342 22.342 8.432) 32.703 6.175 ( -30.979 -30.979 -0.295) 43.812 6.321 ( 1.662 1.662 -5.792) 6.251 7.146 ( 5.593 5.593 5.425) 9.591 7.493 ( -0.402 -0.402 10.576) 10.591 7.706 ( 4.431 4.431 -26.591) 27.319 7.727 ( 1.276 1.276 0.557) 1.888 8.102 ( -3.848 -3.848 -0.162) 5.445 8.187 ( -1.926 -1.926 -24.180) 24.333 8.368 ( -0.841 -0.841 2.777) 3.021 8.420 ( -1.621 -1.621 -7.305) 7.657 8.766 ( -9.500 -9.500 -9.787) 16.622 9.027 ( 3.198 3.198 -12.822) 13.597 9.170 ( -8.731 -8.731 -1.781) 12.475 9.440 ( 0.663 0.663 24.516) 24.534 9.817 ( 0.873 0.873 1.362) 1.838 10.212 ( -12.804 -12.804 4.211) 18.591 11.048 ( 3.928 3.928 0.298) 5.563 11.499 ( -0.955 -0.955 -4.783) 4.970 12.415 ( 1.234 1.234 7.320) 7.525 13.143 ( 1.063 1.063 8.692) 8.821 14.469 ( 2.691 2.691 -9.694) 10.415 14.892 ( 4.206 4.206 6.443) 8.768 15.006 ( -0.571 -0.571 16.676) 16.695 15.188 ( 3.189 3.189 -15.960) 16.585 15.782 ( 2.856 2.856 11.266) 11.968 15.852 ( -10.684 -10.684 0.567) 15.120 16.036 ( -7.501 -7.501 -2.180) 10.830 16.205 ( -3.319 -3.319 0.350) 4.707 16.799 ( -9.361 -9.361 -6.699) 14.837 17.133 ( -10.319 -10.319 3.511) 15.010 17.801 ( -1.171 -1.171 -0.175) 1.665 18.538 ( -11.160 -11.160 0.155) 15.783 18.859 ( 1.019 1.019 -0.137) 1.448 19.126 ( 2.462 2.462 -0.185) 3.487 19.549 ( -3.158 -3.158 3.912) 5.936 20.231 ( -13.924 -13.924 -4.331) 20.162 21.675 ( 6.828 6.828 0.523) 9.670 21.854 ( 8.928 8.928 1.742) 12.746 22.075 ( 2.067 2.067 -4.462) 5.334 22.479 ( 0.429 0.429 6.507) 6.535 22.687 ( -0.063 -0.063 -2.492) 2.493 23.043 ( -2.743 -2.743 -2.941) 4.868 ======================= Grid point 158 (38/84) ======================= q-point: ( 0.36 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 30.726 -6.839 4.674) 31.823 3.681 ( 8.132 -2.492 -12.339) 14.986 3.722 ( 18.489 11.875 24.350) 32.799 4.012 ( 0.264 -3.849 5.258) 6.521 4.349 ( -9.721 -9.451 -0.128) 13.558 4.467 ( -10.787 -4.874 7.764) 14.156 4.677 ( -18.904 -16.853 0.793) 25.338 5.175 ( 7.837 8.167 1.549) 11.425 5.253 ( 6.556 9.424 9.124) 14.665 5.478 ( -17.541 -9.590 2.042) 20.095 5.804 ( 1.011 2.726 -0.399) 2.935 6.161 ( 6.414 8.049 -6.309) 12.071 6.316 ( 6.563 10.235 1.566) 12.259 6.466 ( 20.588 21.832 1.291) 30.036 7.222 ( 2.795 9.584 2.546) 10.303 7.506 ( 1.758 0.832 7.038) 7.302 7.657 ( -6.837 7.212 -1.142) 10.003 7.797 ( 1.783 0.334 -14.200) 14.315 8.007 ( -2.695 -1.277 -7.491) 8.063 8.197 ( 1.626 -4.003 -22.639) 23.047 8.369 ( 0.735 -1.227 -3.968) 4.218 8.392 ( -0.582 -5.308 -13.726) 14.728 8.570 ( -9.618 -8.490 -7.825) 15.027 8.918 ( -12.749 -2.202 -6.405) 14.436 9.135 ( 5.410 -2.222 -0.786) 5.901 9.486 ( 1.905 -2.991 24.401) 24.658 9.833 ( 0.234 -2.804 6.244) 6.848 9.970 ( -10.285 -12.662 3.749) 16.738 11.133 ( 4.609 3.673 0.015) 5.893 11.447 ( -4.110 1.835 -4.704) 6.511 12.494 ( 6.659 6.283 7.302) 11.710 13.085 ( -6.826 8.435 8.753) 13.942 14.583 ( 8.596 -0.739 -8.401) 12.042 15.014 ( 6.883 4.179 5.793) 9.920 15.041 ( 4.074 1.762 11.559) 12.382 15.214 ( -0.808 5.436 -14.111) 15.144 15.641 ( -9.650 -10.718 0.019) 14.423 15.721 ( -7.840 8.133 9.363) 14.672 16.003 ( 3.333 -5.472 -2.765) 6.979 16.155 ( -1.536 -0.275 -0.585) 1.666 16.571 ( -11.924 -2.573 -4.158) 12.887 16.831 ( -17.180 -0.316 3.556) 17.547 17.869 ( 5.780 -10.243 0.174) 11.762 18.322 ( -10.118 -12.345 0.466) 15.968 18.983 ( 10.432 -9.434 -0.892) 14.093 19.202 ( 4.879 -0.186 0.293) 4.892 19.481 ( -3.809 -3.285 2.804) 5.759 19.920 ( -16.657 -17.289 -3.493) 24.260 21.807 ( 6.315 5.976 -0.422) 8.704 22.001 ( 4.302 4.537 -3.588) 7.209 22.116 ( 3.448 3.009 1.648) 4.864 22.461 ( -2.772 -0.304 6.945) 7.484 22.704 ( 2.319 -1.039 -2.916) 3.868 22.972 ( -4.326 -2.986 -2.347) 5.757 ======================= Grid point 159 (39/84) ======================= q-point: ( 0.45 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 35.535 -16.414 -1.762) 39.182 3.877 ( 10.169 -6.804 -5.662) 13.482 3.984 ( -0.709 -2.351 7.437) 7.832 4.072 ( 7.305 -7.699 3.101) 11.057 4.130 ( -20.384 -12.526 -2.287) 24.034 4.248 ( 2.904 -2.826 11.384) 12.084 4.346 ( -12.065 -11.445 5.897) 17.644 4.657 ( -29.486 -14.008 23.087) 39.984 5.533 ( 15.176 12.158 -2.700) 19.632 5.689 ( 15.042 13.377 4.204) 20.564 5.760 ( -5.318 5.621 -0.248) 7.742 5.999 ( -13.743 13.420 1.810) 19.294 6.601 ( 12.648 11.909 -2.095) 17.498 6.715 ( 2.890 15.377 -1.762) 15.745 7.307 ( 6.760 11.213 -0.357) 13.098 7.472 ( -8.442 9.474 -1.722) 12.806 7.592 ( 4.460 1.811 5.129) 7.034 7.718 ( -7.169 1.093 1.576) 7.421 8.072 ( 7.211 -2.064 -20.477) 21.808 8.209 ( -3.435 -2.093 -24.176) 24.509 8.320 ( -0.172 -4.039 -8.166) 9.112 8.407 ( -6.461 -6.858 -8.167) 12.469 8.487 ( 7.507 -4.784 -12.138) 15.053 8.673 ( -11.109 -3.544 -9.621) 15.118 9.275 ( 8.431 -3.400 8.483) 12.434 9.442 ( -6.829 -3.233 17.736) 19.278 9.824 ( 0.208 -8.091 9.160) 12.223 9.854 ( -2.343 -9.056 8.192) 12.434 11.233 ( 5.475 3.827 -1.898) 6.944 11.346 ( -5.673 3.473 -3.740) 7.631 12.670 ( 10.668 10.182 7.735) 16.653 12.896 ( -11.277 11.501 8.355) 18.145 14.793 ( 11.740 -1.715 -7.145) 13.850 15.008 ( -8.122 0.152 -4.650) 9.360 15.175 ( 6.943 3.360 7.331) 10.642 15.230 ( 2.728 4.285 -1.378) 5.264 15.494 ( -3.839 -3.220 2.694) 5.689 15.553 ( -7.771 6.729 6.199) 12.004 16.096 ( 4.740 -0.320 -7.023) 8.479 16.148 ( 0.046 1.327 -5.570) 5.727 16.397 ( -2.920 -0.542 3.489) 4.581 16.518 ( -12.938 0.839 4.652) 13.775 17.995 ( 6.767 -12.450 0.428) 14.177 18.141 ( -8.078 -12.847 0.517) 15.184 19.229 ( 12.530 -12.451 -2.611) 17.856 19.316 ( 6.782 -4.479 1.104) 8.202 19.396 ( -4.186 -3.793 1.530) 5.852 19.587 ( -16.303 -16.954 -1.733) 23.585 21.922 ( 5.062 4.667 -2.232) 7.238 22.002 ( -2.759 3.557 -4.463) 6.339 22.235 ( 7.120 1.654 4.815) 8.753 22.370 ( -6.047 -0.023 5.604) 8.244 22.778 ( 4.677 -2.091 -2.234) 5.589 22.877 ( -5.059 -2.826 -2.040) 6.143 ======================= Grid point 169 (40/84) ======================= q-point: ( 0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 9.934 9.934 5.295) 15.014 3.674 ( 2.010 2.010 -11.910) 12.244 3.937 ( 6.925 6.925 16.909) 19.540 3.954 ( -1.706 -1.706 3.232) 4.032 4.199 ( -3.453 -3.453 8.104) 9.462 4.232 ( -18.069 -18.069 -3.226) 25.756 4.385 ( -14.837 -14.837 0.270) 20.984 4.830 ( -23.342 -23.342 23.612) 40.586 5.500 ( 13.609 13.609 -1.569) 19.310 5.665 ( 16.224 16.224 5.882) 23.686 5.848 ( 1.291 1.291 2.583) 3.163 6.298 ( 1.858 1.858 -1.955) 3.275 6.581 ( 15.710 15.710 -0.585) 22.225 6.847 ( 15.096 15.096 -2.365) 21.479 7.370 ( 5.387 5.387 2.547) 8.033 7.542 ( 2.947 2.947 4.097) 5.845 7.718 ( -1.439 -1.439 0.477) 2.089 7.837 ( 2.366 2.366 -15.996) 16.342 7.948 ( -3.705 -3.705 0.523) 5.266 8.137 ( -0.654 -0.654 -36.938) 36.950 8.291 ( -4.198 -4.198 -25.769) 26.444 8.357 ( -1.550 -1.550 -1.412) 2.608 8.392 ( -7.225 -7.225 -4.590) 11.202 8.795 ( -9.693 -9.693 -1.572) 13.798 9.128 ( 2.460 2.460 0.898) 3.593 9.487 ( 1.681 1.681 27.111) 27.215 9.725 ( -10.888 -10.888 3.617) 15.818 9.789 ( -2.323 -2.323 11.576) 12.033 11.213 ( 4.366 4.366 -1.733) 6.413 11.450 ( -1.440 -1.440 -5.235) 5.618 12.665 ( 10.667 10.667 7.308) 16.762 13.191 ( 1.213 1.213 8.999) 9.161 14.583 ( 2.029 2.029 -4.089) 4.995 15.056 ( -0.458 -0.458 5.394) 5.433 15.147 ( 6.168 6.168 5.707) 10.423 15.300 ( 2.294 2.294 -15.356) 15.695 15.461 ( -3.949 -3.949 -0.153) 5.587 15.875 ( 1.763 1.763 11.111) 11.387 15.896 ( 0.157 0.157 -3.913) 3.919 16.156 ( 0.492 0.492 -0.885) 1.125 16.472 ( -6.720 -6.720 -4.290) 10.426 16.714 ( -10.667 -10.667 4.610) 15.773 17.766 ( -0.596 -0.596 -0.211) 0.869 18.093 ( -10.242 -10.242 0.619) 14.497 18.895 ( 0.773 0.773 -0.355) 1.149 19.225 ( 2.279 2.279 -0.104) 3.225 19.408 ( -4.422 -4.422 0.701) 6.293 19.580 ( -16.083 -16.083 -1.415) 22.789 21.915 ( 4.784 4.784 -1.577) 6.948 22.060 ( 1.163 1.163 -5.194) 5.448 22.178 ( 3.566 3.566 3.426) 6.097 22.430 ( -2.917 -2.917 5.833) 7.144 22.704 ( 1.178 1.178 -1.683) 2.367 22.901 ( -3.940 -3.940 -1.457) 5.760 ======================= Grid point 170 (41/84) ======================= q-point: ( 0.45 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 25.056 -11.230 2.025) 27.532 3.736 ( -28.917 -21.855 -3.593) 36.424 3.763 ( 6.371 -4.456 -9.019) 11.907 3.916 ( -7.467 -6.921 -1.730) 10.327 3.958 ( 2.419 -4.346 1.089) 5.091 4.080 ( -11.011 -10.430 -2.822) 15.427 4.303 ( 9.727 4.456 26.177) 28.279 4.511 ( -11.294 -2.777 29.297) 31.522 5.724 ( 8.565 7.366 0.432) 11.305 5.837 ( -2.829 2.987 3.039) 5.114 5.986 ( 14.986 14.364 6.865) 21.864 6.226 ( -8.465 8.606 4.198) 12.781 6.871 ( 12.003 13.989 -3.729) 18.807 7.006 ( -0.104 13.076 -4.335) 13.776 7.476 ( 6.323 5.395 -0.001) 8.312 7.595 ( -2.062 3.522 -1.077) 4.221 7.656 ( 0.874 3.638 2.440) 4.467 7.768 ( -7.025 3.802 -0.172) 7.990 7.999 ( 7.245 -5.146 -12.724) 15.520 8.149 ( -3.103 -3.380 -31.128) 31.465 8.191 ( -2.625 -7.067 -20.677) 22.008 8.244 ( -3.845 -7.978 -24.516) 26.066 8.425 ( 5.638 -2.267 -1.148) 6.184 8.587 ( -10.093 -5.651 -1.988) 11.737 9.232 ( 7.767 0.042 8.394) 11.436 9.416 ( -9.463 0.497 15.457) 18.131 9.647 ( 3.257 -8.560 14.263) 16.950 9.729 ( -3.870 -5.211 15.603) 16.899 11.305 ( 4.808 3.404 -3.736) 6.976 11.395 ( -3.924 1.372 -4.978) 6.485 12.900 ( 12.246 12.375 7.899) 19.118 13.116 ( -8.316 9.615 8.723) 15.417 14.697 ( 9.333 -6.220 -1.068) 11.267 14.919 ( -11.475 -8.682 1.679) 14.487 15.256 ( 4.868 4.683 -4.248) 7.980 15.317 ( -0.757 3.372 -11.685) 12.185 15.533 ( 8.549 7.681 4.554) 12.362 15.723 ( -9.443 10.029 6.633) 15.289 16.070 ( 9.110 -3.269 -2.034) 9.890 16.171 ( -0.117 0.666 -4.047) 4.103 16.355 ( -2.537 -3.315 1.827) 4.557 16.470 ( -11.893 -5.578 5.451) 14.223 17.809 ( 4.210 -5.984 -0.044) 7.317 17.921 ( -7.085 -8.885 0.330) 11.369 18.999 ( 9.080 -8.448 -1.084) 12.450 19.228 ( -12.486 -12.307 -2.721) 17.742 19.289 ( 3.073 -1.309 0.559) 3.386 19.369 ( -5.011 -3.709 1.900) 6.518 21.997 ( 3.507 2.983 -2.833) 5.405 22.051 ( -1.794 1.425 -4.244) 4.823 22.260 ( 4.558 1.034 3.829) 6.042 22.353 ( -4.539 -1.560 4.448) 6.544 22.749 ( 3.125 -0.752 -0.877) 3.332 22.821 ( -3.988 -2.677 -0.906) 4.888 ======================= Grid point 181 (42/84) ======================= q-point: ( 0.45 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 3.588 3.588 3.172) 5.985 3.309 ( -18.149 -18.149 0.965) 25.685 3.726 ( 0.626 0.626 -9.636) 9.677 3.787 ( -5.323 -5.323 -7.567) 10.674 3.908 ( -0.553 -0.553 -0.181) 0.803 3.941 ( -4.000 -4.000 -1.059) 5.755 4.398 ( 4.379 4.379 27.285) 27.979 4.467 ( -2.522 -2.522 28.094) 28.320 5.833 ( 3.578 3.578 3.928) 6.405 5.867 ( 0.001 0.001 4.944) 4.944 6.226 ( 8.955 8.955 8.349) 15.169 6.317 ( 0.100 0.100 7.685) 7.686 7.114 ( 9.299 9.299 -5.490) 14.250 7.186 ( 3.304 3.304 -6.351) 7.884 7.544 ( 2.778 2.778 0.044) 3.929 7.608 ( -2.503 -2.503 -1.093) 3.705 7.734 ( 4.944 4.944 1.221) 7.098 7.832 ( -1.698 -1.698 0.358) 2.428 7.911 ( 1.271 1.271 -5.905) 6.172 8.033 ( -7.744 -7.744 -4.658) 11.901 8.116 ( -0.415 -0.415 -45.834) 45.838 8.141 ( -2.717 -2.717 -45.551) 45.713 8.404 ( 0.825 0.825 0.085) 1.169 8.468 ( -5.320 -5.320 -0.437) 7.536 9.288 ( 5.254 5.254 8.282) 11.126 9.405 ( -4.491 -4.491 3.703) 7.351 9.542 ( 0.800 0.800 27.782) 27.805 9.623 ( -5.355 -5.355 21.506) 22.800 11.366 ( 2.542 2.542 -5.098) 6.237 11.400 ( -0.809 -0.809 -5.519) 5.636 13.130 ( 9.549 9.549 8.699) 16.063 13.229 ( 0.546 0.546 9.239) 9.272 14.622 ( 0.268 0.268 0.898) 0.975 14.724 ( -9.064 -9.064 1.992) 12.972 15.339 ( 3.119 3.119 -12.206) 12.978 15.363 ( 0.833 0.833 -14.940) 14.987 15.732 ( 11.038 11.038 6.945) 17.086 15.921 ( 0.577 0.577 10.918) 10.949 15.966 ( 1.876 1.876 -2.211) 3.453 16.140 ( -5.769 -5.769 -1.753) 8.344 16.298 ( -0.927 -0.927 2.400) 2.735 16.343 ( -5.173 -5.173 3.394) 8.065 17.751 ( -0.154 -0.154 -0.238) 0.322 17.792 ( -4.182 -4.182 -0.036) 5.915 18.917 ( 0.287 0.287 -0.583) 0.711 19.006 ( -8.372 -8.372 -1.162) 11.897 19.292 ( 0.938 0.938 0.030) 1.327 19.320 ( -1.842 -1.842 0.524) 2.657 22.043 ( 1.612 1.612 -3.282) 3.996 22.062 ( -0.288 -0.288 -3.760) 3.782 22.283 ( 1.362 1.362 3.390) 3.899 22.316 ( -1.910 -1.910 3.583) 4.487 22.748 ( 0.696 0.696 -0.189) 1.002 22.775 ( -1.895 -1.895 -0.246) 2.691 ======================= Grid point 242 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 0.000 37.875) 37.875 1.454 ( 0.000 0.000 37.875) 37.875 2.734 ( 0.000 -0.000 -30.537) 30.537 2.734 ( 0.000 0.000 -30.537) 30.537 2.982 ( -0.000 -0.000 78.029) 78.029 3.998 ( 0.000 0.000 20.960) 20.960 4.421 ( 0.000 -0.000 10.974) 10.974 4.421 ( 0.000 0.000 10.974) 10.974 4.957 ( 0.000 0.000 -28.095) 28.095 5.450 ( 0.000 0.000 -27.362) 27.362 5.795 ( 0.000 0.000 -11.676) 11.676 5.795 ( 0.000 -0.000 -11.676) 11.676 6.220 ( -0.000 -0.000 -2.866) 2.866 6.900 ( 0.000 0.000 7.363) 7.363 6.900 ( -0.000 0.000 7.363) 7.363 7.367 ( 0.000 0.000 -2.400) 2.400 7.367 ( 0.000 0.000 -2.400) 2.400 7.560 ( 0.000 0.000 -43.734) 43.734 8.150 ( 0.000 0.000 27.850) 27.850 8.399 ( 0.000 0.000 1.478) 1.478 8.399 ( -0.000 -0.000 1.478) 1.478 8.556 ( 0.000 0.000 5.826) 5.826 8.556 ( 0.000 0.000 5.826) 5.826 9.140 ( 0.000 0.000 -23.383) 23.383 9.573 ( 0.000 0.000 -5.632) 5.632 9.573 ( 0.000 0.000 -5.632) 5.632 9.622 ( 0.000 0.000 25.013) 25.013 10.015 ( -0.000 -0.000 3.988) 3.988 11.247 ( 0.000 0.000 10.354) 10.354 11.573 ( 0.000 0.000 -6.476) 6.476 13.290 ( 0.000 0.000 10.698) 10.698 13.290 ( 0.000 0.000 10.698) 10.698 14.598 ( 0.000 0.000 -14.490) 14.490 14.598 ( 0.000 0.000 -14.490) 14.490 15.646 ( 0.000 0.000 5.985) 5.985 15.646 ( 0.000 0.000 5.985) 5.985 16.556 ( 0.000 0.000 6.897) 6.897 16.815 ( 0.000 0.000 -5.854) 5.854 17.604 ( -0.000 -0.000 7.744) 7.744 17.924 ( 0.000 0.000 -0.192) 0.192 17.924 ( 0.000 -0.000 -0.192) 0.192 18.024 ( 0.000 0.000 -14.671) 14.671 18.768 ( 0.000 0.000 -0.386) 0.386 18.768 ( 0.000 0.000 -0.386) 0.386 18.983 ( 0.000 0.000 0.288) 0.288 18.983 ( -0.000 0.000 0.288) 0.288 19.322 ( -0.000 -0.000 14.899) 14.899 19.722 ( 0.000 0.000 -6.264) 6.264 19.929 ( -0.000 -0.000 2.137) 2.137 20.049 ( 0.000 0.000 -3.680) 3.680 22.161 ( -0.000 -0.000 3.318) 3.318 22.302 ( 0.000 0.000 -4.522) 4.522 22.795 ( 0.000 0.000 6.789) 6.789 23.002 ( 0.000 0.000 -4.076) 4.076 ======================= Grid point 243 (44/84) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 16.836 0.000 32.848) 36.911 1.739 ( 26.053 0.000 29.724) 39.526 2.802 ( 7.005 0.000 -28.947) 29.783 2.847 ( 11.228 0.000 -27.841) 30.020 3.245 ( 24.664 0.000 70.876) 75.045 4.131 ( 12.779 0.000 18.813) 22.743 4.410 ( -1.130 0.000 10.988) 11.046 4.429 ( 0.882 0.000 10.451) 10.489 5.014 ( 5.610 0.000 -26.140) 26.735 5.492 ( 3.203 0.000 -16.890) 17.191 5.750 ( -4.387 0.000 -8.238) 9.333 5.771 ( -3.976 0.000 -12.703) 13.310 6.258 ( 4.157 0.000 -14.822) 15.394 6.922 ( 1.468 0.000 7.597) 7.737 6.929 ( -1.551 0.000 -1.246) 1.990 7.292 ( -6.192 0.000 -15.862) 17.028 7.474 ( 10.379 0.000 0.321) 10.384 7.871 ( 26.021 0.000 -31.904) 41.170 8.118 ( -3.086 0.000 26.890) 27.066 8.382 ( -1.625 0.000 1.642) 2.310 8.403 ( 0.197 0.000 0.108) 0.224 8.503 ( -4.995 0.000 6.126) 7.904 8.552 ( 0.213 0.000 1.831) 1.843 9.094 ( -4.547 0.000 -22.798) 23.247 9.387 ( -10.235 0.000 1.525) 10.348 9.435 ( -9.569 0.000 -4.586) 10.611 9.830 ( 12.309 0.000 17.469) 21.371 10.198 ( 13.905 0.000 -0.330) 13.909 11.205 ( -3.993 0.000 10.164) 10.921 11.534 ( -3.934 0.000 -6.729) 7.795 13.235 ( -5.290 0.000 10.336) 11.611 13.245 ( -4.544 0.000 9.991) 10.976 14.573 ( -2.226 0.000 -12.946) 13.136 14.594 ( -0.433 0.000 -14.098) 14.104 15.577 ( -6.755 0.000 7.227) 9.893 15.604 ( -4.061 0.000 5.488) 6.827 16.509 ( -4.706 0.000 5.849) 7.507 16.678 ( -16.249 0.000 1.032) 16.281 17.258 ( -40.229 0.000 17.279) 43.783 17.462 ( -22.311 0.000 9.775) 24.358 17.572 ( -25.031 0.000 -5.335) 25.594 17.793 ( -27.392 0.000 -6.302) 28.108 18.579 ( -1.705 0.000 4.821) 5.113 18.714 ( -0.631 0.000 -2.621) 2.696 18.886 ( 7.759 0.000 0.284) 7.765 18.925 ( 5.305 0.000 -2.302) 5.783 19.785 ( 22.937 0.000 14.447) 27.108 19.925 ( 0.091 0.000 4.995) 4.996 20.255 ( 22.357 0.000 -2.830) 22.536 20.665 ( 48.319 0.000 -27.013) 55.357 22.114 ( -4.461 0.000 4.025) 6.009 22.288 ( -0.921 0.000 -5.611) 5.686 22.770 ( -2.079 0.000 7.435) 7.721 22.994 ( -0.723 0.000 -4.393) 4.452 ======================= Grid point 244 (45/84) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 29.243 0.000 22.794) 37.077 2.379 ( 36.163 0.000 17.602) 40.219 3.020 ( 15.105 0.000 -23.861) 28.240 3.166 ( 20.300 0.000 -21.294) 29.420 3.869 ( 35.921 0.000 56.966) 67.346 4.379 ( -1.773 0.000 10.621) 10.768 4.402 ( 5.923 0.000 10.631) 12.170 4.527 ( 16.479 0.000 11.852) 20.298 5.172 ( 9.760 0.000 -20.966) 23.127 5.520 ( -1.557 0.000 -1.310) 2.035 5.627 ( -9.786 0.000 -10.143) 14.094 5.632 ( -7.158 0.000 3.818) 8.112 6.401 ( 10.045 0.000 -35.342) 36.742 6.767 ( -14.422 0.000 -6.943) 16.007 6.937 ( 0.078 0.000 4.429) 4.429 7.168 ( -5.772 0.000 -9.664) 11.256 7.717 ( 10.776 0.000 5.224) 11.975 8.040 ( -4.246 0.000 24.734) 25.095 8.239 ( 6.056 0.000 -22.222) 23.032 8.338 ( -3.415 0.000 4.061) 5.306 8.377 ( -3.868 0.000 1.941) 4.328 8.388 ( -4.357 0.000 3.800) 5.781 8.620 ( 4.867 0.000 -13.322) 14.183 8.973 ( -7.111 0.000 -21.680) 22.816 9.190 ( -8.964 0.000 -0.374) 8.972 9.320 ( 1.368 0.000 -10.654) 10.741 10.083 ( 12.731 0.000 19.163) 23.006 10.455 ( 10.108 0.000 -2.695) 10.461 11.104 ( -5.365 0.000 8.904) 10.396 11.420 ( -7.332 0.000 -7.146) 10.238 13.091 ( -8.762 0.000 9.451) 12.888 13.109 ( -8.896 0.000 9.016) 12.666 14.528 ( -1.777 0.000 -9.768) 9.928 14.581 ( -0.845 0.000 -12.843) 12.871 15.399 ( -10.115 0.000 10.726) 14.744 15.500 ( -5.868 0.000 3.997) 7.100 16.141 ( -28.181 0.000 26.380) 38.601 16.372 ( -8.898 0.000 2.925) 9.366 16.745 ( -13.988 0.000 3.327) 14.379 17.049 ( -25.683 0.000 -6.874) 26.587 17.065 ( -19.508 0.000 2.690) 19.693 17.203 ( -28.207 0.000 -3.783) 28.460 18.632 ( 3.571 0.000 3.552) 5.036 18.741 ( 1.775 0.000 -1.392) 2.256 19.056 ( 6.597 0.000 -1.546) 6.775 19.087 ( 11.546 0.000 -2.073) 11.730 19.922 ( -0.493 0.000 7.871) 7.886 20.113 ( 12.464 0.000 1.069) 12.509 20.818 ( 29.034 0.000 5.427) 29.537 21.362 ( 23.008 0.000 -21.077) 31.203 22.005 ( -5.539 0.000 6.626) 8.636 22.296 ( 2.478 0.000 -9.277) 9.603 22.728 ( -2.078 0.000 7.762) 8.035 22.976 ( -1.064 0.000 -5.048) 5.158 ======================= Grid point 245 (46/84) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 33.235 0.000 16.918) 37.293 3.121 ( 37.457 0.000 8.372) 38.381 3.399 ( 22.423 0.000 -15.360) 27.180 3.633 ( 25.980 0.000 -14.236) 29.625 4.349 ( -0.879 0.000 8.440) 8.485 4.437 ( 2.435 0.000 5.796) 6.286 4.616 ( 34.916 0.000 39.604) 52.798 4.949 ( 21.804 0.000 8.737) 23.490 5.345 ( 2.368 0.000 -11.403) 11.646 5.423 ( -8.974 0.000 -3.109) 9.498 5.457 ( -0.118 0.000 -11.412) 11.413 5.465 ( -9.373 0.000 25.978) 27.617 6.395 ( -21.980 0.000 -5.528) 22.665 6.601 ( 7.453 0.000 -26.961) 27.972 6.956 ( 3.442 0.000 -11.992) 12.476 7.051 ( -6.326 0.000 -5.203) 8.191 7.761 ( -6.367 0.000 5.029) 8.113 7.968 ( -3.535 0.000 20.194) 20.501 8.222 ( -5.261 0.000 -11.369) 12.528 8.237 ( -5.156 0.000 4.035) 6.547 8.245 ( -9.095 0.000 -4.837) 10.301 8.391 ( 1.667 0.000 0.473) 1.732 8.558 ( -9.503 0.000 -10.968) 14.513 8.823 ( -7.832 0.000 -20.655) 22.090 9.094 ( 1.670 0.000 4.123) 4.448 9.515 ( 14.248 0.000 -16.654) 21.917 10.315 ( 9.922 0.000 17.026) 19.706 10.541 ( -2.028 0.000 0.949) 2.239 11.037 ( -0.672 0.000 4.842) 4.888 11.256 ( -8.655 0.000 -6.655) 10.918 12.906 ( -9.330 0.000 8.588) 12.681 12.911 ( -10.282 0.000 9.000) 13.665 14.515 ( 0.394 0.000 -8.161) 8.171 14.561 ( -1.164 0.000 -10.638) 10.701 15.227 ( -6.033 0.000 11.459) 12.950 15.391 ( -4.638 0.000 1.896) 5.011 15.728 ( -14.166 0.000 21.947) 26.122 16.160 ( -12.147 0.000 -1.335) 12.220 16.513 ( -10.491 0.000 -0.359) 10.497 16.613 ( -17.418 0.000 -5.410) 18.239 16.699 ( -16.723 0.000 -0.053) 16.723 16.705 ( -21.728 0.000 -0.638) 21.737 18.682 ( 1.432 0.000 3.405) 3.694 18.763 ( 0.301 0.000 -0.070) 0.309 19.183 ( 6.478 0.000 1.342) 6.615 19.326 ( 12.229 0.000 -4.983) 13.205 19.898 ( -2.082 0.000 10.314) 10.522 20.295 ( 5.218 0.000 -8.478) 9.955 21.309 ( 19.029 0.000 5.161) 19.716 21.647 ( 7.497 0.000 -10.659) 13.032 21.942 ( 0.680 0.000 11.452) 11.472 22.397 ( 7.043 0.000 -11.971) 13.889 22.686 ( -2.104 0.000 7.053) 7.360 22.951 ( -1.496 0.000 -5.784) 5.974 ======================= Grid point 246 (47/84) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 30.813 0.000 15.990) 34.715 3.838 ( 31.085 0.000 -4.509) 31.410 3.864 ( 25.080 0.000 1.923) 25.153 4.172 ( 27.382 0.000 -8.908) 28.794 4.364 ( 2.880 0.000 2.461) 3.788 4.457 ( 0.016 0.000 -1.228) 1.228 5.052 ( 1.557 0.000 4.922) 5.163 5.213 ( -11.810 0.000 19.268) 22.600 5.252 ( -8.868 0.000 -0.984) 8.922 5.280 ( 7.373 0.000 3.878) 8.330 5.537 ( 26.497 0.000 28.640) 39.017 5.552 ( 2.290 0.000 -4.131) 4.723 5.942 ( -20.249 0.000 -4.085) 20.657 6.663 ( 1.177 0.000 -3.244) 3.451 6.919 ( -6.393 0.000 -3.449) 7.264 7.060 ( 1.696 0.000 -23.362) 23.423 7.581 ( -7.223 0.000 -2.857) 7.767 7.900 ( -2.639 0.000 14.770) 15.004 8.031 ( -11.610 0.000 -9.918) 15.270 8.077 ( -8.413 0.000 -0.711) 8.443 8.125 ( -6.351 0.000 0.774) 6.398 8.338 ( -11.634 0.000 -14.609) 18.676 8.391 ( -0.129 0.000 -7.759) 7.760 8.671 ( -7.304 0.000 -20.150) 21.433 9.275 ( 14.273 0.000 11.226) 18.159 9.761 ( 8.609 0.000 -8.441) 12.057 10.428 ( -6.859 0.000 1.407) 7.001 10.450 ( 3.007 0.000 9.475) 9.941 11.052 ( 1.037 0.000 3.188) 3.353 11.106 ( -5.488 0.000 -3.024) 6.266 12.729 ( -7.478 0.000 9.306) 11.938 12.739 ( -7.121 0.000 8.294) 10.932 14.532 ( 0.947 0.000 -7.995) 8.051 14.540 ( -0.782 0.000 -8.076) 8.113 15.173 ( 0.287 0.000 8.065) 8.071 15.321 ( -2.534 0.000 0.626) 2.610 15.544 ( -4.609 0.000 15.872) 16.528 15.911 ( -12.336 0.000 -2.654) 12.618 16.318 ( -8.961 0.000 -1.230) 9.046 16.338 ( -12.205 0.000 -1.630) 12.313 16.363 ( -10.806 0.000 -0.321) 10.811 16.420 ( -11.018 0.000 -1.453) 11.113 18.697 ( 0.369 0.000 3.151) 3.172 18.753 ( -1.137 0.000 0.757) 1.366 19.323 ( 7.558 0.000 4.184) 8.639 19.557 ( 9.841 0.000 -6.333) 11.703 19.848 ( -1.820 0.000 9.318) 9.494 20.303 ( -4.266 0.000 -12.623) 13.325 21.556 ( 7.122 0.000 2.862) 7.675 21.723 ( 1.127 0.000 -5.230) 5.350 22.065 ( 10.565 0.000 13.543) 17.177 22.516 ( 2.324 0.000 -2.833) 3.664 22.662 ( 1.377 0.000 -0.843) 1.614 22.913 ( -2.482 0.000 -6.707) 7.152 ======================= Grid point 247 (48/84) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 21.543 0.000 14.824) 26.150 4.115 ( 2.849 0.000 4.411) 5.251 4.426 ( 1.490 0.000 0.592) 1.603 4.432 ( -1.591 0.000 -3.979) 4.285 4.515 ( 30.680 0.000 0.373) 30.682 4.681 ( 21.621 0.000 -4.051) 21.997 4.989 ( -9.622 0.000 8.933) 13.129 4.996 ( -6.566 0.000 3.005) 7.221 5.110 ( -5.207 0.000 -2.067) 5.602 5.154 ( -16.436 0.000 -1.820) 16.537 5.514 ( -2.911 0.000 5.415) 6.147 5.570 ( -8.003 0.000 9.478) 12.405 6.240 ( 32.107 0.000 14.281) 35.140 6.717 ( 2.522 0.000 -0.373) 2.550 6.817 ( -4.103 0.000 -1.698) 4.441 6.825 ( -21.514 0.000 2.853) 21.702 7.627 ( 9.060 0.000 -18.578) 20.670 7.818 ( -9.610 0.000 -13.930) 16.923 7.871 ( -0.295 0.000 7.522) 7.528 7.922 ( -6.084 0.000 5.973) 8.526 8.033 ( -0.762 0.000 -3.549) 3.630 8.124 ( -8.905 0.000 -13.888) 16.498 8.430 ( 3.962 0.000 -15.141) 15.651 8.535 ( -6.248 0.000 -19.118) 20.113 9.574 ( 14.353 0.000 11.957) 18.681 9.794 ( -5.975 0.000 6.092) 8.533 10.362 ( 1.333 0.000 -4.787) 4.969 10.433 ( -3.766 0.000 -1.262) 3.972 11.052 ( -0.423 0.000 2.659) 2.692 11.058 ( -0.357 0.000 4.040) 4.055 12.629 ( -2.350 0.000 9.172) 9.468 12.636 ( -2.941 0.000 8.645) 9.131 14.534 ( 0.209 0.000 -6.621) 6.624 14.541 ( -0.151 0.000 -7.092) 7.093 15.215 ( 3.210 0.000 4.568) 5.583 15.275 ( -2.525 0.000 1.771) 3.085 15.539 ( 3.925 0.000 8.666) 9.514 15.684 ( -10.010 0.000 1.478) 10.118 16.169 ( -3.868 0.000 -1.171) 4.041 16.178 ( -4.338 0.000 -1.777) 4.688 16.240 ( -2.333 0.000 -0.903) 2.501 16.265 ( -4.630 0.000 -1.353) 4.824 18.706 ( 0.684 0.000 2.523) 2.614 18.727 ( -1.315 0.000 1.640) 2.102 19.478 ( 7.787 0.000 6.030) 9.849 19.611 ( -4.443 0.000 4.420) 6.268 19.931 ( 10.161 0.000 -5.312) 11.465 20.149 ( -10.351 0.000 -11.379) 15.383 21.657 ( 3.807 0.000 1.085) 3.958 21.714 ( -1.785 0.000 -1.843) 2.566 22.286 ( 10.361 0.000 11.290) 15.323 22.456 ( -6.557 0.000 8.511) 10.743 22.752 ( 5.545 0.000 -8.887) 10.474 22.849 ( -4.049 0.000 -7.931) 8.905 ======================= Grid point 254 (49/84) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 8.818 8.818 32.869) 35.155 2.029 ( 22.864 22.864 26.434) 41.765 2.816 ( 3.931 3.931 -28.747) 29.279 3.005 ( 13.190 13.190 -24.051) 30.437 3.508 ( 24.304 24.304 61.978) 70.871 4.253 ( 11.140 11.140 16.537) 22.840 4.404 ( 0.061 0.061 10.155) 10.155 4.433 ( 0.580 0.580 10.902) 10.933 5.068 ( 5.358 5.358 -24.235) 25.393 5.483 ( -3.441 -3.441 -13.720) 14.558 5.624 ( -4.959 -4.959 -0.805) 7.059 5.864 ( 3.242 3.242 -10.837) 11.767 6.294 ( 4.026 4.026 -25.493) 26.121 6.888 ( -7.355 -7.355 -6.940) 12.505 6.947 ( 2.258 2.258 6.621) 7.351 7.369 ( 2.433 2.433 -5.709) 6.666 7.442 ( 3.476 3.476 -1.792) 5.232 8.037 ( 11.408 11.408 -28.991) 33.178 8.086 ( -3.099 -3.099 25.878) 26.247 8.362 ( -1.847 -1.847 1.784) 3.163 8.405 ( -1.382 -1.382 2.283) 3.005 8.517 ( 3.495 3.495 -6.127) 7.872 8.542 ( -0.700 -0.700 5.510) 5.598 9.049 ( -4.338 -4.338 -22.276) 23.106 9.234 ( -6.693 -6.693 -5.212) 10.806 9.541 ( -1.825 -1.825 -5.040) 5.662 9.762 ( 1.927 1.927 19.903) 20.088 10.376 ( 13.239 13.239 0.916) 18.745 11.149 ( -5.379 -5.379 9.496) 12.168 11.512 ( -2.277 -2.277 -6.424) 7.186 13.102 ( -8.732 -8.732 9.086) 15.332 13.290 ( 0.048 0.048 10.474) 10.475 14.493 ( -4.711 -4.711 -11.305) 13.122 14.647 ( 2.332 2.332 -14.141) 14.520 15.399 ( -10.490 -10.490 7.019) 16.411 15.698 ( 2.457 2.457 6.076) 6.999 16.376 ( -16.481 -16.481 9.555) 25.190 16.564 ( -8.952 -8.952 10.302) 16.322 16.877 ( -19.359 -19.359 6.507) 28.141 17.268 ( -18.003 -18.003 9.232) 27.083 17.628 ( -16.052 -16.052 -7.209) 23.818 17.903 ( -1.004 -1.004 -0.177) 1.431 17.958 ( -15.408 -15.408 1.512) 21.843 18.781 ( 0.653 0.653 -0.304) 0.972 18.931 ( 4.479 4.479 -2.713) 6.891 18.995 ( 0.662 0.662 0.180) 0.953 19.870 ( -0.157 -0.157 4.741) 4.746 20.022 ( 12.916 12.916 9.890) 20.772 20.491 ( 21.681 21.681 1.298) 30.689 21.028 ( 26.689 26.689 -26.096) 45.887 22.047 ( -5.806 -5.806 3.813) 9.053 22.296 ( 0.692 0.692 -5.768) 5.851 22.753 ( -1.255 -1.255 7.559) 7.764 23.001 ( 0.285 0.285 -4.685) 4.702 ======================= Grid point 255 (50/84) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 26.424 -3.635 23.993) 35.876 2.580 ( 31.379 17.033 22.640) 42.277 2.972 ( 11.796 -1.016 -25.082) 27.736 3.352 ( 21.272 14.963 -18.072) 31.670 4.107 ( 33.297 21.258 46.481) 61.000 4.345 ( -1.388 -2.200 9.133) 9.496 4.446 ( 1.693 2.283 9.569) 9.982 4.623 ( 19.916 10.541 11.618) 25.353 5.219 ( 9.223 4.660 -19.117) 21.731 5.321 ( -9.967 -12.773 -11.390) 19.804 5.579 ( -2.557 -0.256 20.339) 20.501 5.863 ( -3.375 11.083 -10.202) 15.437 6.432 ( 8.926 2.963 -38.927) 40.047 6.636 ( -16.234 -11.802 -7.864) 21.557 6.985 ( 1.378 4.104 4.528) 6.264 7.274 ( -7.557 7.961 -3.195) 11.432 7.646 ( 8.958 -6.279 3.021) 11.349 8.006 ( -4.486 -3.181 23.494) 24.129 8.143 ( -0.744 -6.385 -20.522) 21.505 8.305 ( -4.012 -1.742 1.146) 4.522 8.358 ( -1.763 -1.956 0.915) 2.788 8.480 ( -4.675 3.590 4.167) 7.219 8.654 ( 4.924 3.299 -8.201) 10.119 8.932 ( -6.996 -3.991 -20.986) 22.478 9.205 ( 2.842 3.760 -12.682) 13.530 9.395 ( -5.870 4.861 -4.751) 8.980 9.930 ( 10.777 -10.397 15.720) 21.711 10.618 ( 9.143 11.922 1.615) 15.111 11.015 ( -6.824 -8.158 7.428) 12.973 11.440 ( -4.977 1.202 -5.889) 7.803 12.909 ( -10.081 -10.121 8.104) 16.423 13.239 ( -5.142 5.179 9.984) 12.367 14.413 ( -2.886 -6.625 -8.841) 11.419 14.680 ( 1.074 5.259 -13.153) 14.206 15.204 ( -8.218 -10.554 7.462) 15.317 15.682 ( -4.225 9.347 7.088) 12.468 15.943 ( -20.537 -15.189 21.724) 33.532 16.389 ( -9.484 -1.532 7.321) 12.079 16.592 ( -11.815 -10.040 -1.544) 15.581 16.839 ( -22.257 -13.045 2.823) 25.952 17.192 ( -23.247 -2.044 -6.770) 24.299 17.375 ( -24.505 16.705 -0.540) 29.662 18.225 ( 11.763 -25.297 1.385) 27.932 18.898 ( -1.698 2.932 -0.847) 3.492 18.912 ( 8.654 -7.752 -1.407) 11.703 19.077 ( 5.400 -3.138 -0.316) 6.253 19.850 ( -1.303 -4.211 5.789) 7.277 20.260 ( 9.463 9.856 1.133) 13.710 20.975 ( 24.230 13.879 5.114) 28.388 21.476 ( 16.400 9.466 -17.192) 25.576 21.933 ( -4.211 -5.548 4.823) 8.472 22.326 ( 2.788 2.404 -7.694) 8.529 22.730 ( -1.139 0.374 7.598) 7.692 22.996 ( -0.844 1.377 -5.322) 5.562 ======================= Grid point 256 (51/84) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 33.877 -8.620 14.302) 37.770 3.226 ( 30.625 8.679 12.675) 34.262 3.296 ( 22.649 -4.470 -10.971) 25.561 3.828 ( 25.786 15.508 -12.550) 32.602 4.312 ( -1.195 -3.144 7.209) 7.955 4.461 ( 1.936 1.987 4.489) 5.277 4.773 ( 27.430 12.791 28.286) 41.426 5.045 ( 20.462 9.501 7.034) 23.631 5.145 ( -5.294 -10.862 -1.015) 12.126 5.407 ( 6.458 3.075 -9.377) 11.794 5.490 ( -3.958 2.582 24.385) 24.839 5.754 ( -6.432 15.977 -7.616) 18.831 6.233 ( -20.534 -13.315 -0.971) 24.492 6.644 ( 7.625 2.564 -34.065) 35.002 7.016 ( 1.133 4.856 -4.699) 6.852 7.090 ( -9.129 1.798 -4.204) 10.210 7.668 ( -6.297 -7.035 1.423) 9.548 7.921 ( -4.120 -3.717 19.414) 20.191 8.090 ( -3.658 -8.381 -12.509) 15.495 8.207 ( -5.815 -1.573 -3.099) 6.774 8.340 ( -3.189 -0.568 -2.142) 3.883 8.351 ( -5.447 3.111 -1.647) 6.486 8.676 ( -3.597 6.453 -2.722) 7.873 8.796 ( -6.124 -1.880 -17.877) 18.990 9.145 ( -2.161 4.538 1.617) 5.280 9.533 ( 13.304 1.711 -16.453) 21.228 10.126 ( 8.031 -13.165 12.587) 19.906 10.637 ( -7.438 2.522 5.724) 9.718 10.976 ( 3.350 -2.414 2.967) 5.085 11.322 ( -6.461 4.546 -4.834) 9.262 12.725 ( -7.853 -8.461 7.717) 13.886 13.092 ( -9.283 8.661 9.509) 15.863 14.393 ( 0.988 -6.060 -7.779) 9.910 14.692 ( 0.075 7.141 -11.165) 13.254 15.094 ( -2.587 -7.352 6.849) 10.375 15.541 ( -7.842 4.312 13.396) 16.110 15.659 ( -9.536 -0.695 11.560) 15.002 16.172 ( -12.272 -0.518 2.354) 12.506 16.358 ( -11.748 -8.637 -3.319) 14.954 16.473 ( -13.913 -10.130 -0.852) 17.232 16.781 ( -17.738 3.076 -2.556) 18.183 16.915 ( -21.369 14.633 -0.759) 25.910 18.404 ( 6.669 -19.485 2.083) 20.700 18.821 ( -4.393 -0.866 -0.316) 4.489 19.126 ( 9.595 -6.442 -0.183) 11.558 19.226 ( 10.617 -7.699 -1.718) 13.227 19.814 ( -2.505 -5.602 7.416) 9.626 20.364 ( 0.487 3.343 -6.351) 7.193 21.387 ( 16.038 7.066 3.929) 17.960 21.676 ( 5.270 2.377 -6.779) 8.910 21.931 ( 4.434 0.004 7.218) 8.471 22.416 ( 6.015 1.746 -9.172) 11.107 22.701 ( -1.886 1.304 6.906) 7.277 22.969 ( -1.810 1.352 -5.982) 6.395 ======================= Grid point 257 (52/84) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 33.092 -7.631 10.546) 35.560 3.715 ( 24.114 -8.988 -9.848) 27.555 3.887 ( 28.099 3.627 14.498) 31.826 4.274 ( 8.385 -0.163 2.224) 8.676 4.384 ( 17.560 7.712 -4.660) 19.737 4.478 ( 0.680 2.276 -3.824) 4.502 4.973 ( 0.431 -3.464 1.585) 3.833 5.110 ( -8.518 -6.136 20.458) 22.994 5.324 ( 2.820 3.836 6.228) 7.839 5.437 ( -2.588 6.180 6.409) 9.272 5.487 ( -1.304 5.909 -2.246) 6.455 5.758 ( 5.446 8.852 8.960) 13.722 5.912 ( -0.719 3.194 2.300) 4.001 6.718 ( 0.685 -1.539 -9.630) 9.776 6.826 ( -10.791 -2.561 0.239) 11.094 7.140 ( 3.077 6.208 -17.177) 18.522 7.513 ( -5.059 -3.960 -7.064) 9.549 7.851 ( -2.584 -3.444 13.280) 13.961 7.981 ( -7.575 -5.050 -8.247) 12.284 8.079 ( -7.124 -1.311 -6.673) 9.849 8.182 ( -6.974 7.234 -0.348) 10.054 8.335 ( -0.248 -1.847 -10.845) 11.004 8.507 ( -11.282 7.880 -4.605) 14.511 8.648 ( -8.145 -0.947 -18.274) 20.030 9.281 ( 13.257 0.485 10.813) 17.114 9.765 ( 8.443 0.492 -8.212) 11.788 10.219 ( 0.932 -13.402 6.406) 14.883 10.453 ( -8.502 -5.540 3.467) 10.723 11.052 ( 3.136 2.380 3.586) 5.325 11.204 ( -4.932 6.148 -2.233) 8.192 12.615 ( -3.004 -4.411 7.922) 9.552 12.893 ( -10.071 8.687 9.188) 16.165 14.445 ( 3.937 -2.603 -7.239) 8.642 14.680 ( -1.428 7.657 -9.086) 11.968 15.099 ( 2.846 -3.881 5.452) 7.272 15.451 ( -1.478 5.345 8.760) 10.368 15.492 ( -7.017 -0.068 9.201) 11.572 15.926 ( -11.817 0.060 -0.445) 11.826 16.160 ( -7.579 -7.638 -4.068) 11.504 16.243 ( -9.912 -6.884 -0.750) 12.092 16.492 ( -11.141 4.769 0.264) 12.121 16.553 ( -14.308 10.786 -1.009) 17.947 18.507 ( 4.018 -14.935 2.370) 15.647 18.731 ( -4.479 -5.117 0.457) 6.816 19.294 ( 8.028 -2.969 3.301) 9.174 19.477 ( 13.154 -8.659 -5.334) 16.627 19.748 ( -3.829 -6.962 7.791) 11.128 20.281 ( -8.210 -3.793 -9.854) 13.375 21.601 ( 6.651 4.106 2.488) 8.202 21.750 ( 2.146 2.794 -4.643) 5.828 22.087 ( 10.373 1.942 10.722) 15.045 22.525 ( 2.721 0.953 -1.982) 3.499 22.669 ( 0.173 0.476 0.285) 0.581 22.923 ( -2.932 0.740 -6.530) 7.196 ======================= Grid point 258 (53/84) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 24.033 -3.104 11.445) 26.799 4.109 ( 6.449 -1.874 3.383) 7.519 4.284 ( 16.507 -10.880 -1.373) 19.818 4.385 ( 1.540 -3.848 1.036) 4.272 4.434 ( 1.842 -2.761 -2.073) 3.913 4.736 ( -8.610 -10.472 6.866) 15.197 4.898 ( 9.493 3.950 -1.534) 10.396 5.061 ( 4.932 4.956 1.133) 7.083 5.208 ( -6.534 3.485 12.446) 14.482 5.261 ( -8.960 11.594 -1.502) 14.730 5.459 ( -1.848 -2.676 6.127) 6.936 5.608 ( -11.940 3.712 1.157) 12.558 6.296 ( 21.694 5.357 10.157) 24.546 6.601 ( -9.551 -9.384 3.424) 13.821 6.824 ( 6.885 8.687 -0.896) 11.120 7.022 ( -11.666 9.590 -0.441) 15.108 7.583 ( 9.053 -2.737 -21.340) 23.342 7.776 ( -8.930 -3.520 -13.231) 16.346 7.857 ( 0.191 -0.885 6.379) 6.443 7.934 ( -6.445 -0.369 1.187) 6.564 8.121 ( 1.547 8.376 -3.165) 9.087 8.243 ( -9.472 9.077 -7.067) 14.902 8.405 ( 2.949 -2.380 -14.006) 14.509 8.504 ( -6.306 -2.898 -18.279) 19.552 9.568 ( 14.142 -0.770 12.088) 18.620 9.793 ( -6.624 -0.072 7.294) 9.853 10.230 ( 2.976 -11.172 -3.917) 12.207 10.326 ( -5.421 -9.549 -2.056) 11.171 11.097 ( 1.712 4.150 3.742) 5.844 11.134 ( -2.335 5.334 1.547) 6.024 12.611 ( 2.636 0.718 8.388) 8.821 12.714 ( -7.447 5.562 8.830) 12.820 14.537 ( 4.957 2.235 -6.602) 8.552 14.628 ( -3.831 6.111 -7.288) 10.253 15.193 ( 6.140 -0.632 4.054) 7.384 15.329 ( -7.328 3.601 3.421) 8.853 15.526 ( 6.695 -0.286 8.284) 10.655 15.704 ( -10.501 0.897 2.896) 10.930 16.065 ( -1.876 -6.184 -4.793) 8.046 16.091 ( -4.683 -5.477 -3.373) 7.957 16.344 ( -3.566 5.453 1.027) 6.596 16.359 ( -5.204 7.101 0.230) 8.807 18.577 ( 3.350 -11.376 2.055) 12.035 18.648 ( -3.837 -8.355 1.317) 9.288 19.453 ( 7.823 -2.589 5.220) 9.754 19.590 ( -4.885 -2.106 4.749) 7.131 19.803 ( 12.374 -11.717 -5.464) 17.896 20.066 ( -12.745 -8.380 -9.365) 17.899 21.701 ( 3.856 3.996 0.567) 5.582 21.755 ( -1.444 3.762 -2.348) 4.664 22.299 ( 10.053 1.121 9.969) 14.202 22.469 ( -6.676 1.049 8.223) 10.644 22.746 ( 5.616 -0.506 -7.855) 9.670 22.849 ( -4.487 -0.010 -7.231) 8.510 ======================= Grid point 266 (54/84) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 12.157 12.157 23.844) 29.396 3.001 ( 24.506 24.506 26.455) 43.599 3.018 ( 5.776 5.776 -24.248) 25.587 3.722 ( 21.822 21.822 -14.269) 34.000 4.292 ( -3.009 -3.009 7.387) 8.525 4.457 ( 3.971 3.971 9.202) 10.780 4.633 ( 23.732 23.732 26.465) 42.742 4.928 ( 18.929 18.929 7.705) 27.857 5.092 ( -9.153 -9.153 -5.502) 14.066 5.354 ( 8.501 8.501 -14.348) 18.719 5.558 ( -2.028 -2.028 25.861) 26.020 6.026 ( 4.543 4.543 -8.743) 10.850 6.299 ( -17.753 -17.753 0.275) 25.107 6.560 ( 6.225 6.225 -45.970) 46.805 7.068 ( 3.696 3.696 5.039) 7.260 7.273 ( -11.266 -11.266 2.504) 16.128 7.604 ( 4.052 4.052 -0.565) 5.759 7.926 ( -4.517 -4.517 20.862) 21.818 8.016 ( -6.239 -6.239 -23.924) 25.499 8.256 ( -3.378 -3.378 2.074) 5.208 8.314 ( -2.115 -2.115 -4.180) 5.140 8.499 ( -1.464 -1.464 4.741) 5.174 8.736 ( 5.116 5.116 1.793) 7.454 8.821 ( -6.793 -6.793 -19.352) 21.605 9.355 ( 9.512 9.512 -21.453) 25.321 9.405 ( -5.242 -5.242 -3.611) 8.246 9.810 ( 0.455 0.455 16.285) 16.298 10.806 ( -11.397 -11.397 6.287) 17.300 10.849 ( 9.458 9.458 3.297) 13.775 11.443 ( -1.172 -1.172 -5.068) 5.332 12.718 ( -8.529 -8.529 7.163) 14.029 13.298 ( 0.458 0.458 10.049) 10.070 14.308 ( -3.193 -3.193 -7.457) 8.718 14.768 ( 3.542 3.542 -13.354) 14.263 15.041 ( -5.449 -5.449 6.404) 10.020 15.637 ( -13.374 -13.374 20.221) 27.688 15.821 ( 3.399 3.399 6.265) 7.897 16.278 ( -8.734 -8.734 4.015) 12.988 16.425 ( -7.725 -7.725 1.342) 11.007 16.524 ( -16.974 -16.974 1.411) 24.046 17.057 ( -11.459 -11.459 -8.879) 18.478 17.565 ( -8.772 -8.772 1.674) 12.519 17.851 ( -1.444 -1.444 -0.160) 2.049 18.815 ( 1.003 1.003 -0.162) 1.427 18.884 ( -5.904 -5.904 -1.289) 8.448 19.040 ( 1.620 1.620 -0.041) 2.291 19.781 ( -2.962 -2.962 5.941) 7.269 20.396 ( 2.414 2.414 -2.418) 4.184 21.284 ( 15.548 15.548 3.628) 22.286 21.644 ( 5.834 5.834 -7.103) 10.887 21.872 ( 1.332 1.332 1.516) 2.418 22.381 ( 3.261 3.261 -6.476) 7.950 22.739 ( 0.168 0.168 7.376) 7.380 23.010 ( -0.220 -0.220 -5.820) 5.829 ======================= Grid point 267 (55/84) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 27.198 -3.269 16.530) 31.995 3.206 ( 13.243 -1.167 -19.886) 23.920 3.520 ( 26.779 17.161 27.961) 42.349 4.180 ( 18.762 16.440 -6.952) 25.896 4.243 ( 2.375 -1.300 2.795) 3.891 4.502 ( 0.938 1.557 -1.275) 2.220 4.906 ( 0.628 -1.427 -0.605) 1.673 5.085 ( 6.528 4.552 22.145) 23.532 5.317 ( 17.723 17.017 3.166) 24.774 5.473 ( -2.897 0.990 7.161) 7.789 5.565 ( 7.967 4.288 2.771) 9.462 5.987 ( -8.293 -6.260 8.125) 13.190 6.041 ( -2.297 12.238 -6.432) 14.015 6.627 ( -4.025 -8.075 -23.352) 25.035 7.017 ( -8.737 -3.665 -8.427) 12.681 7.141 ( 4.435 5.062 -2.490) 7.176 7.627 ( -3.968 3.402 -2.312) 5.716 7.840 ( -4.112 -4.246 15.840) 16.906 7.927 ( -2.047 -8.132 -20.688) 22.323 8.165 ( -5.729 -2.444 0.265) 6.234 8.281 ( -1.176 -3.859 -7.662) 8.659 8.428 ( -5.229 2.261 3.413) 6.642 8.666 ( -8.188 -5.604 -16.347) 19.123 8.856 ( 3.983 6.644 4.273) 8.847 9.220 ( -7.450 0.919 -0.785) 7.547 9.581 ( 11.158 3.213 -17.209) 20.760 9.891 ( 5.302 -8.650 13.518) 16.902 10.542 ( -14.031 -10.254 5.006) 18.085 11.017 ( 6.708 4.833 4.374) 9.354 11.393 ( -3.738 2.125 -4.559) 6.267 12.590 ( -3.924 -4.671 6.791) 9.129 13.246 ( -5.836 6.539 9.721) 13.089 14.307 ( 3.278 -2.273 -6.967) 8.028 14.820 ( 1.594 5.648 -12.223) 13.559 14.995 ( 0.785 -2.318 5.531) 6.048 15.434 ( -6.619 -7.246 17.426) 19.999 15.818 ( -3.892 9.115 5.991) 11.582 16.076 ( -11.361 -8.829 1.970) 14.523 16.187 ( -12.370 -10.905 -3.176) 16.793 16.303 ( -7.491 -4.698 1.378) 8.949 16.785 ( -14.250 -3.062 -6.150) 15.820 17.176 ( -22.101 9.722 1.151) 24.172 18.008 ( 9.350 -18.127 0.812) 20.412 18.728 ( -8.568 -7.750 -0.609) 11.569 18.942 ( 10.423 -8.956 -0.907) 13.772 19.123 ( 6.047 -2.552 0.356) 6.573 19.721 ( -3.362 -3.940 6.202) 8.080 20.338 ( -7.729 -6.414 -5.812) 11.605 21.547 ( 10.259 8.142 2.168) 13.275 21.738 ( 5.073 4.264 -2.174) 6.974 21.970 ( 6.974 3.667 2.322) 8.215 22.461 ( 4.777 2.743 -5.281) 7.631 22.723 ( -1.999 0.371 6.569) 6.877 22.986 ( -2.027 0.093 -5.913) 6.251 ======================= Grid point 268 (56/84) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 33.307 -11.120 8.413) 36.108 3.540 ( 19.939 -7.870 -12.985) 25.062 4.024 ( 21.614 9.404 24.181) 33.768 4.195 ( 0.391 -5.302 4.419) 6.913 4.429 ( -3.318 -2.725 -3.590) 5.597 4.635 ( 11.608 8.098 0.863) 14.180 4.950 ( -8.428 -5.033 4.313) 10.722 5.028 ( 3.037 2.494 0.768) 4.004 5.286 ( -5.800 -3.290 18.061) 19.253 5.563 ( -0.633 9.075 2.790) 9.515 5.672 ( 0.179 7.233 -3.099) 7.871 5.909 ( -7.247 10.448 -5.444) 13.832 6.147 ( 15.367 13.553 6.360) 21.454 6.476 ( -3.102 -12.407 9.631) 16.010 6.953 ( -0.216 8.651 -13.696) 16.201 7.263 ( 5.696 5.417 -15.201) 17.113 7.498 ( -5.928 2.275 -9.156) 11.143 7.770 ( -2.608 -4.510 8.006) 9.552 7.892 ( -2.731 -3.928 -12.392) 13.283 8.035 ( -6.972 -2.624 -1.500) 7.599 8.269 ( -0.244 -4.728 -9.488) 10.604 8.322 ( -3.959 5.476 0.736) 6.797 8.504 ( -7.839 -5.468 -13.977) 16.933 8.745 ( -12.521 7.423 -3.614) 14.998 9.279 ( 10.938 -1.433 9.614) 14.633 9.782 ( 8.241 1.291 -8.613) 11.990 9.964 ( 1.052 -10.646 9.857) 14.547 10.274 ( -11.679 -11.095 2.380) 16.284 11.118 ( 3.637 3.309 4.340) 6.558 11.307 ( -4.438 3.911 -3.171) 6.711 12.571 ( 2.064 0.342 7.039) 7.343 13.077 ( -10.483 9.764 9.168) 17.008 14.427 ( 8.217 0.444 -6.539) 10.511 14.826 ( -1.249 6.847 -10.269) 12.406 15.064 ( 5.882 0.652 4.979) 7.734 15.375 ( 0.250 -4.437 13.889) 14.583 15.681 ( -8.697 9.778 5.241) 14.097 15.853 ( -10.393 -7.574 0.623) 12.875 16.013 ( -5.641 -7.068 -6.981) 11.424 16.155 ( -7.319 -1.359 -0.338) 7.452 16.541 ( -9.454 0.243 -1.373) 9.556 16.770 ( -17.734 9.702 1.114) 20.245 18.171 ( 7.062 -17.415 1.264) 18.834 18.564 ( -7.777 -10.829 0.073) 13.333 19.180 ( 12.099 -10.481 -0.864) 16.031 19.275 ( 9.671 -6.955 -0.126) 11.913 19.640 ( -4.880 -4.318 5.811) 8.731 20.121 ( -13.313 -12.033 -6.910) 19.230 21.701 ( 5.877 5.508 1.588) 8.209 21.828 ( 2.863 4.600 -4.452) 7.013 22.132 ( 9.191 2.425 6.471) 11.499 22.554 ( 2.756 1.838 0.317) 3.328 22.670 ( -1.687 -0.647 1.114) 2.122 22.931 ( -3.550 -0.118 -5.470) 6.522 ======================= Grid point 269 (57/84) ======================= q-point: ( 0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 30.579 -11.024 4.739) 32.849 3.965 ( 20.560 -10.819 -4.472) 23.659 4.159 ( -2.925 -4.206 3.604) 6.263 4.273 ( -0.067 -7.208 1.741) 7.416 4.370 ( -9.120 -5.261 1.523) 10.638 4.456 ( -18.464 -14.258 0.506) 23.334 4.880 ( 11.471 -4.568 22.414) 25.590 5.192 ( 0.233 5.773 6.721) 8.863 5.313 ( -6.493 4.507 12.093) 14.446 5.461 ( 10.315 7.716 -1.189) 12.937 5.529 ( -8.321 13.730 -1.755) 16.150 5.759 ( -10.281 11.264 -1.321) 15.307 6.427 ( 10.419 6.121 2.544) 12.349 6.515 ( 1.555 3.261 6.194) 7.170 7.019 ( 7.350 9.807 -6.622) 13.930 7.202 ( -9.350 8.340 -5.471) 13.671 7.548 ( 8.344 -0.880 -21.056) 22.666 7.706 ( -5.823 -3.240 -11.046) 12.900 7.837 ( -0.286 -1.223 1.422) 1.897 7.903 ( -5.850 -2.412 0.510) 6.348 8.266 ( 1.939 0.251 -4.784) 5.168 8.338 ( 3.590 2.881 -8.029) 9.255 8.362 ( -5.371 -4.297 -10.346) 12.424 8.496 ( -10.887 5.427 -7.436) 14.257 9.531 ( 13.312 -3.430 11.401) 17.859 9.778 ( -9.962 -2.294 11.107) 15.096 10.009 ( 5.683 -8.700 -4.593) 11.361 10.118 ( -5.170 -9.873 -1.109) 11.200 11.174 ( 2.438 3.145 2.617) 4.763 11.229 ( -3.285 3.809 -0.418) 5.047 12.669 ( 7.559 5.289 7.671) 11.999 12.858 ( -10.886 8.939 8.442) 16.422 14.606 ( 8.965 3.978 -6.409) 11.716 14.758 ( -5.781 6.421 -7.830) 11.660 15.216 ( 8.910 3.114 4.715) 10.551 15.375 ( -4.327 0.335 7.252) 8.451 15.556 ( 0.150 2.970 6.718) 7.347 15.668 ( -8.239 -5.430 3.703) 10.540 15.959 ( 0.350 -3.434 -8.698) 9.358 16.022 ( -5.553 -0.573 -5.201) 7.630 16.430 ( -1.283 3.048 1.949) 3.839 16.502 ( -8.693 6.543 1.967) 11.057 18.299 ( 6.067 -15.509 1.220) 16.698 18.422 ( -6.524 -13.379 0.747) 14.903 19.376 ( 8.165 -5.191 2.961) 10.118 19.513 ( 2.139 -11.345 0.835) 11.576 19.540 ( 6.088 -7.267 -0.388) 9.489 19.833 ( -15.211 -14.246 -6.195) 21.742 21.795 ( 3.665 5.000 -0.437) 6.215 21.844 ( -1.032 4.675 -3.045) 5.674 22.320 ( 9.245 0.775 7.084) 11.673 22.487 ( -7.189 0.439 7.184) 10.173 22.734 ( 5.735 -0.599 -5.550) 8.004 22.845 ( -5.070 -0.490 -5.226) 7.297 ======================= Grid point 278 (58/84) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 11.383 11.383 15.929) 22.647 3.246 ( 5.411 5.411 -18.781) 20.280 3.891 ( 19.108 19.108 30.116) 40.462 4.146 ( -4.115 -4.115 4.124) 7.133 4.436 ( -2.106 -2.106 -3.771) 4.806 4.597 ( 12.759 12.759 -3.663) 18.412 4.954 ( 5.521 5.521 1.738) 7.999 5.054 ( -8.118 -8.118 7.095) 13.496 5.322 ( -8.505 -8.505 16.499) 20.417 5.677 ( 12.910 12.910 -2.098) 18.377 5.706 ( 12.870 12.870 -2.853) 18.423 6.047 ( -0.676 -0.676 -3.638) 3.761 6.222 ( 5.807 5.807 -4.138) 9.196 6.358 ( -6.005 -6.005 20.367) 22.066 7.045 ( 4.265 4.265 -35.667) 36.173 7.234 ( 4.589 4.589 3.503) 7.376 7.688 ( -1.105 -1.105 4.594) 4.852 7.755 ( -6.324 -6.324 -30.261) 31.555 7.792 ( -0.959 -0.959 10.656) 10.742 8.108 ( -3.851 -3.851 1.525) 5.655 8.193 ( -4.287 -4.287 -9.435) 11.215 8.429 ( -2.094 -2.094 2.518) 3.887 8.531 ( -7.392 -7.392 -14.254) 17.676 9.000 ( 6.450 6.450 7.979) 12.119 9.126 ( -8.537 -8.537 -2.612) 12.352 9.674 ( 6.225 6.225 -13.659) 16.250 9.823 ( 0.959 0.959 14.615) 14.677 10.298 ( -13.377 -13.377 4.313) 19.403 11.108 ( 3.866 3.866 4.672) 7.192 11.402 ( -1.119 -1.119 -4.808) 5.062 12.553 ( 1.079 1.079 6.402) 6.582 13.330 ( 1.115 1.115 9.796) 9.922 14.315 ( 3.384 3.384 -6.449) 8.031 14.913 ( 3.527 3.527 -12.523) 13.480 15.009 ( 3.680 3.680 5.291) 7.421 15.327 ( -3.248 -3.248 16.102) 16.744 15.854 ( -12.296 -12.296 -0.407) 17.394 15.949 ( 2.856 2.856 6.381) 7.551 15.971 ( -9.073 -9.073 -4.630) 13.641 16.231 ( -3.608 -3.608 2.440) 5.656 16.662 ( -8.470 -8.470 -7.142) 13.945 17.191 ( -9.931 -9.931 2.476) 14.261 17.797 ( -1.187 -1.187 -0.177) 1.687 18.539 ( -10.613 -10.613 -0.017) 15.009 18.856 ( 0.953 0.953 -0.171) 1.359 19.123 ( 2.456 2.456 -0.156) 3.477 19.644 ( -4.001 -4.001 5.747) 8.065 20.130 ( -13.555 -13.555 -5.874) 20.049 21.694 ( 6.488 6.488 1.530) 9.302 21.839 ( 5.107 5.107 -3.430) 7.995 22.061 ( 5.365 5.365 2.810) 8.091 22.526 ( 3.722 3.722 -2.555) 5.851 22.702 ( -2.601 -2.601 5.369) 6.508 22.969 ( -1.878 -1.878 -4.945) 5.613 ======================= Grid point 279 (59/84) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 24.641 -4.883 10.426) 27.198 3.426 ( 12.671 -3.103 -14.656) 19.621 4.081 ( -2.086 -5.363 2.359) 6.219 4.187 ( 4.489 2.106 16.413) 17.146 4.378 ( 1.723 0.627 5.995) 6.269 4.583 ( -20.145 -15.418 3.628) 25.626 4.761 ( -7.809 -8.346 11.389) 16.135 5.194 ( 11.848 11.151 0.337) 16.273 5.388 ( 14.072 12.117 0.027) 18.571 5.646 ( -19.951 -3.935 17.870) 27.071 5.808 ( 2.428 6.282 1.488) 6.898 6.051 ( 7.385 6.977 -4.842) 11.254 6.334 ( 8.314 10.831 0.880) 13.682 6.550 ( 13.013 14.191 9.578) 21.505 7.107 ( 2.010 6.203 -30.191) 30.887 7.347 ( 6.538 3.383 -5.967) 9.476 7.556 ( -8.354 2.076 -17.427) 19.436 7.681 ( -1.822 -4.242 0.339) 4.629 7.813 ( 0.506 -3.896 -3.344) 5.159 7.990 ( -7.431 -1.744 0.528) 7.651 8.143 ( -0.918 -7.693 -7.887) 11.055 8.350 ( -6.079 -5.506 -9.316) 12.412 8.408 ( -3.255 -0.897 -1.643) 3.755 8.847 ( -13.650 1.515 -2.034) 13.884 9.208 ( 9.981 -4.371 7.093) 13.001 9.810 ( 6.402 1.302 -3.586) 7.453 9.858 ( 0.186 0.443 11.544) 11.554 10.042 ( -10.397 -11.852 3.092) 16.066 11.170 ( 2.535 1.975 3.223) 4.551 11.355 ( -3.334 0.902 -4.364) 5.566 12.635 ( 7.058 6.081 6.623) 11.430 13.268 ( -7.275 8.724 9.378) 14.730 14.447 ( 9.583 1.337 -5.690) 11.225 14.949 ( -0.448 5.435 -11.188) 12.446 15.131 ( 8.148 5.792 5.460) 11.391 15.301 ( 0.379 -3.161 13.861) 14.222 15.628 ( -9.570 -11.930 -1.515) 15.369 15.803 ( -7.537 -1.245 -2.273) 7.970 15.962 ( -1.359 4.024 0.147) 4.250 16.152 ( -4.298 0.172 0.460) 4.326 16.501 ( -6.287 -4.081 -3.021) 8.081 16.889 ( -17.072 0.896 2.370) 17.259 17.873 ( 6.165 -11.066 0.206) 12.669 18.331 ( -9.914 -11.982 0.391) 15.557 18.965 ( 9.171 -8.303 -0.878) 12.403 19.208 ( 5.652 -1.031 0.249) 5.750 19.554 ( -5.232 -4.684 4.774) 8.491 19.835 ( -15.414 -15.754 -5.348) 22.680 21.807 ( 4.868 4.902 0.489) 6.926 21.915 ( 2.245 3.819 -4.499) 6.314 22.183 ( 6.799 2.743 4.149) 8.425 22.587 ( -1.131 0.454 4.928) 5.077 22.643 ( 0.381 -1.128 -2.141) 2.450 22.913 ( -3.600 -1.662 -3.636) 5.380 ======================= Grid point 280 (60/84) ======================= q-point: ( 0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 30.305 -14.281 3.720) 33.707 3.743 ( 18.621 -10.623 -8.137) 22.931 4.037 ( -12.631 -9.373 1.629) 15.813 4.094 ( -14.390 -13.094 -0.927) 19.478 4.126 ( -9.105 -11.146 1.667) 14.488 4.244 ( -14.803 -11.974 -4.123) 19.480 4.847 ( 15.374 2.479 35.499) 38.764 5.192 ( -17.748 -1.712 30.305) 35.161 5.499 ( 13.210 12.651 -0.974) 18.317 5.710 ( 0.984 12.926 -1.608) 13.063 5.789 ( 7.197 13.500 2.806) 15.554 6.026 ( -8.376 14.671 0.186) 16.894 6.563 ( 11.287 9.370 -1.180) 14.717 6.691 ( -0.155 11.164 0.023) 11.165 7.181 ( 6.326 5.817 -21.199) 22.875 7.337 ( -8.161 4.780 -17.169) 19.602 7.539 ( 6.960 -0.208 -14.306) 15.911 7.649 ( -2.684 -2.406 -6.266) 7.229 7.801 ( -0.533 -2.644 -0.943) 2.857 7.852 ( -5.528 -2.239 2.585) 6.500 8.150 ( 1.919 -8.088 -8.291) 11.740 8.226 ( -5.462 -7.998 -10.668) 14.408 8.423 ( 4.838 2.400 -0.302) 5.409 8.590 ( -11.345 2.032 -2.028) 11.702 9.429 ( 12.123 -5.763 7.793) 15.521 9.683 ( -12.919 -6.134 9.092) 16.947 9.934 ( 4.213 -0.193 0.925) 4.318 9.976 ( -0.307 -4.011 4.777) 6.245 11.219 ( 2.682 1.535 0.434) 3.120 11.282 ( -3.631 1.668 -2.551) 4.741 12.823 ( 11.443 10.080 7.344) 16.926 13.066 ( -12.126 11.655 8.384) 18.793 14.668 ( 11.693 1.703 -5.518) 13.042 14.870 ( -7.633 4.707 -7.671) 11.801 15.293 ( 6.032 1.162 5.818) 8.461 15.326 ( 1.409 -4.729 8.457) 9.791 15.512 ( -0.223 -5.707 -0.735) 5.758 15.637 ( -9.330 4.824 1.587) 10.622 15.966 ( 2.864 3.857 -5.965) 7.659 16.057 ( -5.217 3.107 -3.544) 7.031 16.454 ( 2.042 -0.928 2.231) 3.163 16.591 ( -11.644 1.697 2.884) 12.115 18.004 ( 6.924 -13.074 0.465) 14.802 18.152 ( -8.077 -12.988 0.522) 15.304 19.187 ( 12.244 -12.710 -1.791) 17.739 19.328 ( 4.824 -4.736 0.330) 6.768 19.435 ( -5.877 -7.002 2.448) 9.464 19.544 ( -12.640 -12.626 -2.739) 18.075 21.887 ( 3.128 3.987 -1.259) 5.222 21.928 ( -0.869 3.545 -3.237) 4.879 22.327 ( 7.559 0.061 4.516) 8.805 22.476 ( -7.145 -1.608 5.133) 8.944 22.727 ( 5.218 -0.102 -2.852) 5.947 22.828 ( -4.839 -1.164 -2.848) 5.734 ======================= Grid point 290 (61/84) ======================= q-point: ( 0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 8.045 8.045 9.980) 15.135 3.429 ( 3.613 3.613 -14.054) 14.954 3.988 ( -3.536 -3.536 0.783) 5.062 4.095 ( -8.511 -8.511 2.998) 12.404 4.187 ( -21.270 -21.270 -1.356) 30.111 4.293 ( -16.005 -16.005 -3.171) 22.855 4.725 ( 8.308 8.308 36.389) 38.239 5.360 ( -5.016 -5.016 24.925) 25.915 5.501 ( 9.545 9.545 2.980) 13.824 5.761 ( 16.775 16.775 7.093) 24.762 5.910 ( 3.168 3.168 3.619) 5.759 6.246 ( 9.096 9.096 -3.299) 13.280 6.570 ( 11.644 11.644 -0.489) 16.474 6.812 ( 10.308 10.308 -0.384) 14.583 7.181 ( 1.507 1.507 -43.114) 43.167 7.421 ( 4.419 4.419 2.422) 6.702 7.526 ( -5.497 -5.497 -35.766) 36.601 7.626 ( -0.722 -0.722 3.462) 3.609 7.758 ( -1.471 -1.471 5.002) 5.417 7.960 ( -3.613 -3.613 0.763) 5.167 7.984 ( -5.472 -5.472 -6.089) 9.847 8.206 ( -7.593 -7.593 -10.842) 15.259 8.397 ( -0.408 -0.408 1.571) 1.674 8.759 ( -9.276 -9.276 -1.962) 13.264 9.207 ( 4.829 4.829 5.664) 8.872 9.799 ( -10.987 -10.987 3.629) 15.956 9.862 ( 2.908 2.908 10.732) 11.493 9.915 ( 2.973 2.973 4.888) 6.447 11.204 ( 1.664 1.664 0.741) 2.467 11.347 ( -1.595 -1.595 -5.007) 5.492 12.809 ( 11.130 11.130 6.843) 17.164 13.381 ( 1.320 1.320 9.809) 9.985 14.497 ( 4.663 4.663 -4.346) 7.898 15.037 ( 2.566 2.566 -11.849) 12.392 15.199 ( -3.774 -3.774 8.704) 10.210 15.265 ( -0.867 -0.867 6.662) 6.774 15.441 ( -0.834 -0.834 -2.140) 2.443 15.789 ( 0.943 0.943 -7.228) 7.350 16.040 ( 1.690 1.690 6.344) 6.779 16.148 ( -0.681 -0.681 0.131) 0.971 16.406 ( -4.111 -4.111 -2.665) 6.396 16.786 ( -10.285 -10.285 2.876) 14.827 17.761 ( -0.615 -0.615 -0.213) 0.895 18.106 ( -10.308 -10.308 0.588) 14.590 18.888 ( 0.635 0.635 -0.390) 0.979 19.223 ( 2.351 2.351 -0.079) 3.326 19.428 ( -9.474 -9.474 1.361) 13.467 19.546 ( -11.130 -11.130 -2.052) 15.873 21.892 ( 3.663 3.663 -0.623) 5.217 21.971 ( 1.648 1.648 -4.035) 4.659 22.245 ( 3.599 3.599 3.256) 6.042 22.532 ( -4.711 -4.711 4.417) 7.994 22.669 ( 2.696 2.696 -1.623) 4.143 22.866 ( -2.970 -2.970 -2.048) 4.673 ======================= Grid point 291 (62/84) ======================= q-point: ( 0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 20.297 -9.019 5.956) 22.995 3.574 ( 10.885 -5.801 -10.766) 16.372 3.710 ( -25.156 -19.299 0.552) 31.711 3.851 ( -16.077 -13.241 -4.480) 21.304 3.959 ( 0.534 -5.840 -0.541) 5.889 4.027 ( -6.803 -8.241 -2.424) 10.958 4.948 ( 11.992 6.393 40.274) 42.505 5.175 ( -10.681 -0.579 39.563) 40.984 5.745 ( 11.147 11.182 1.318) 15.844 5.901 ( -4.118 6.619 3.234) 8.440 6.098 ( 15.149 16.384 3.248) 22.549 6.307 ( -4.287 12.792 3.267) 13.882 6.783 ( 9.451 11.665 -5.330) 15.931 6.906 ( -1.467 9.577 -5.863) 11.324 7.230 ( 4.968 -1.006 -40.073) 40.392 7.372 ( -8.254 -1.877 -34.550) 35.572 7.533 ( 5.609 -0.183 -2.806) 6.274 7.615 ( -1.751 -1.141 -2.008) 2.898 7.749 ( 1.134 -1.527 3.263) 3.777 7.824 ( -5.976 -0.510 1.277) 6.132 7.983 ( 2.212 -8.195 -5.143) 9.924 8.067 ( -6.001 -7.673 -8.299) 12.797 8.425 ( 3.968 -1.426 0.356) 4.231 8.561 ( -9.232 -4.423 -1.117) 10.298 9.359 ( 9.645 -0.507 5.488) 11.108 9.571 ( -11.310 -4.933 4.914) 13.281 9.928 ( 2.817 -0.426 11.491) 11.839 9.955 ( 0.409 0.513 7.931) 7.959 11.244 ( 2.493 1.164 -2.258) 3.560 11.300 ( -2.856 0.163 -4.399) 5.248 13.059 ( 13.275 13.077 7.750) 20.182 13.296 ( -9.305 10.475 9.104) 16.709 14.660 ( 11.568 -2.283 -2.564) 12.067 14.922 ( -13.156 -1.378 -2.744) 13.509 15.161 ( 1.957 -8.169 -3.052) 8.937 15.208 ( -2.593 -5.828 -1.458) 6.543 15.596 ( 10.759 10.242 1.953) 14.982 15.773 ( -5.160 8.433 -0.733) 9.914 16.056 ( 2.199 3.723 0.653) 4.372 16.117 ( -2.654 2.475 -1.480) 3.919 16.395 ( 3.722 -4.463 1.868) 6.104 16.552 ( -11.308 -5.509 3.217) 12.983 17.808 ( 4.525 -6.353 -0.033) 7.800 17.928 ( -7.488 -9.178 0.345) 11.851 18.978 ( 7.907 -7.448 -1.061) 10.914 19.182 ( -11.952 -11.600 -1.956) 16.770 19.299 ( 4.168 -2.174 0.477) 4.725 19.399 ( -5.621 -4.322 1.152) 7.183 21.952 ( 2.286 2.546 -1.792) 3.862 21.981 ( -0.566 1.780 -3.014) 3.546 22.328 ( 4.696 0.146 2.994) 5.571 22.429 ( -5.342 -2.827 3.255) 6.865 22.730 ( 3.379 0.468 -0.882) 3.523 22.800 ( -3.542 -1.584 -1.141) 4.044 ======================= Grid point 302 (63/84) ======================= q-point: ( 0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 2.894 2.894 6.617) 7.780 3.355 ( -14.717 -14.717 4.242) 21.241 3.527 ( 1.234 1.234 -11.317) 11.451 3.625 ( -8.547 -8.547 -9.262) 15.228 3.886 ( -1.369 -1.369 -1.572) 2.494 3.909 ( -3.644 -3.644 -1.863) 5.480 5.068 ( 5.262 5.262 42.593) 43.238 5.147 ( -2.555 -2.555 42.830) 42.982 5.920 ( 6.044 6.044 4.659) 9.735 5.975 ( 0.592 0.592 5.661) 5.722 6.391 ( 11.623 11.623 6.739) 17.766 6.486 ( 3.201 3.201 9.421) 10.452 6.981 ( 7.050 7.050 -8.070) 12.826 7.032 ( 2.149 2.149 -9.913) 10.368 7.190 ( -0.296 -0.296 -49.793) 49.795 7.271 ( -6.722 -6.722 -44.473) 45.477 7.549 ( 1.790 1.790 0.532) 2.587 7.590 ( -1.765 -1.765 -0.748) 2.606 7.759 ( 2.443 2.443 1.453) 3.748 7.839 ( -1.853 -1.853 0.244) 2.632 7.845 ( -1.240 -1.240 -4.268) 4.614 7.930 ( -5.903 -5.903 -5.670) 10.091 8.406 ( 0.423 0.423 0.142) 0.615 8.459 ( -4.649 -4.649 -0.486) 6.592 9.398 ( 3.634 3.634 4.447) 6.796 9.481 ( -4.385 -4.385 3.704) 7.223 9.933 ( 0.865 0.865 14.348) 14.401 9.953 ( -0.769 -0.769 12.373) 12.421 11.269 ( 1.298 1.298 -4.428) 4.794 11.292 ( -0.877 -0.877 -5.185) 5.331 13.309 ( 10.740 10.740 8.978) 17.644 13.422 ( 0.600 0.600 9.912) 9.948 14.634 ( 1.897 1.897 0.192) 2.690 14.769 ( -10.389 -10.389 2.472) 14.899 15.108 ( 0.941 0.941 -11.459) 11.536 15.137 ( -1.957 -1.957 -8.797) 9.222 15.813 ( 10.402 10.402 2.081) 14.857 15.922 ( 3.120 3.120 -2.152) 4.909 16.084 ( 0.533 0.533 6.253) 6.299 16.134 ( -1.439 -1.439 0.812) 2.192 16.330 ( -0.280 -0.280 1.163) 1.229 16.407 ( -7.343 -7.343 2.856) 10.770 17.746 ( -0.161 -0.161 -0.240) 0.331 17.791 ( -4.566 -4.566 -0.030) 6.457 18.905 ( 0.217 0.217 -0.613) 0.686 18.983 ( -7.405 -7.405 -1.132) 10.533 19.293 ( 0.981 0.981 0.046) 1.388 19.330 ( -2.690 -2.690 0.475) 3.833 21.989 ( 1.209 1.209 -2.202) 2.787 21.999 ( 0.155 0.155 -2.616) 2.625 22.339 ( 1.139 1.139 2.348) 2.848 22.375 ( -2.386 -2.386 2.400) 4.141 22.745 ( 0.973 0.973 -0.150) 1.384 22.769 ( -1.457 -1.457 -0.284) 2.080 ======================= Grid point 363 (64/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 0.000 -0.000) 0.000 2.112 ( -0.000 -0.000 -0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 -71.387) 71.387 4.369 ( 0.000 0.000 71.387) 71.387 4.444 ( 0.000 0.000 -26.726) 26.726 4.444 ( 0.000 0.000 26.726) 26.726 4.531 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 5.677 ( -0.000 -0.000 -0.000) 0.000 5.677 ( -0.000 -0.000 -0.000) 0.000 6.756 ( -0.000 -0.000 -41.661) 41.661 6.756 ( 0.000 0.000 41.661) 41.661 6.970 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.619 ( -0.000 -0.000 0.000) 0.000 8.667 ( 0.000 0.000 -27.400) 27.400 8.667 ( 0.000 0.000 27.400) 27.400 9.512 ( -0.000 -0.000 0.000) 0.000 9.512 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 -10.738) 10.738 9.955 ( 0.000 0.000 10.738) 10.738 11.429 ( 0.000 0.000 -9.061) 9.061 11.429 ( -0.000 -0.000 9.061) 9.061 13.410 ( 0.000 0.000 0.000) 0.000 13.410 ( -0.000 -0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 16.691 ( 0.000 0.000 -7.357) 7.357 16.691 ( 0.000 0.000 7.357) 7.357 17.782 ( 0.000 0.000 -11.469) 11.469 17.782 ( -0.000 -0.000 11.469) 11.469 17.922 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 18.764 ( 0.000 0.000 0.000) 0.000 18.764 ( 0.000 0.000 0.000) 0.000 18.986 ( 0.000 0.000 0.000) 0.000 18.986 ( 0.000 0.000 0.000) 0.000 19.563 ( -0.000 -0.000 -10.963) 10.963 19.563 ( 0.000 0.000 10.963) 10.963 19.981 ( 0.000 0.000 -3.435) 3.435 19.981 ( -0.000 -0.000 3.435) 3.435 22.227 ( 0.000 0.000 -3.788) 3.788 22.227 ( 0.000 0.000 3.788) 3.788 22.911 ( 0.000 0.000 -5.687) 5.687 22.911 ( 0.000 0.000 5.687) 5.687 ======================= Grid point 365 (65/84) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 10.405 0.000 -23.926) 26.091 2.219 ( 10.405 0.000 23.926) 26.091 2.316 ( 17.118 0.000 -21.725) 27.658 2.316 ( 17.118 0.000 21.725) 27.658 4.496 ( 4.108 0.000 -23.196) 23.557 4.496 ( 4.108 0.000 23.196) 23.557 4.535 ( 11.141 0.000 -39.002) 40.562 4.535 ( 11.141 0.000 39.002) 40.562 4.569 ( 9.250 0.000 -28.760) 30.211 4.569 ( 9.250 0.000 28.760) 30.211 5.644 ( -3.478 0.000 -0.001) 3.478 5.644 ( -3.478 0.000 0.001) 3.478 6.644 ( -8.296 0.000 -31.586) 32.657 6.644 ( -8.296 0.000 31.586) 32.657 7.039 ( 2.299 0.000 -4.966) 5.472 7.039 ( 2.299 0.000 4.966) 5.472 7.530 ( 17.940 0.000 -5.804) 18.856 7.530 ( 17.940 0.000 5.804) 18.856 8.393 ( -1.805 0.000 -1.002) 2.065 8.393 ( -1.805 0.000 1.002) 2.065 8.576 ( -4.224 0.000 -0.898) 4.319 8.576 ( -4.224 0.000 0.898) 4.319 8.634 ( -3.196 0.000 -25.936) 26.132 8.634 ( -3.196 0.000 25.936) 26.132 9.378 ( -10.222 0.000 -0.062) 10.223 9.378 ( -10.222 0.000 0.062) 10.223 10.109 ( 12.186 0.000 -8.097) 14.631 10.109 ( 12.186 0.000 8.097) 14.631 11.386 ( -4.182 0.000 -8.836) 9.775 11.386 ( -4.182 0.000 8.836) 9.775 13.353 ( -5.589 0.000 -0.029) 5.589 13.353 ( -5.589 0.000 0.029) 5.589 14.441 ( -0.282 0.000 -0.150) 0.320 14.441 ( -0.282 0.000 0.150) 0.320 15.649 ( -5.147 0.000 -0.085) 5.148 15.649 ( -5.147 0.000 0.085) 5.148 16.618 ( -7.373 0.000 -4.836) 8.817 16.618 ( -7.373 0.000 4.836) 8.817 17.454 ( -26.345 0.000 -3.094) 26.526 17.454 ( -26.345 0.000 3.094) 26.526 17.655 ( -28.231 0.000 -8.557) 29.500 17.655 ( -28.231 0.000 8.557) 29.500 18.657 ( -2.131 0.000 -0.799) 2.276 18.657 ( -2.131 0.000 0.799) 2.276 18.897 ( 5.698 0.000 -0.115) 5.699 18.897 ( 5.698 0.000 0.115) 5.699 19.973 ( 5.697 0.000 -1.489) 5.889 19.973 ( 5.697 0.000 1.489) 5.889 20.299 ( 39.973 0.000 -11.400) 41.567 20.299 ( 39.973 0.000 11.400) 41.567 22.194 ( -2.875 0.000 -4.226) 5.111 22.194 ( -2.875 0.000 4.226) 5.111 22.896 ( -1.340 0.000 -6.011) 6.158 22.896 ( -1.340 0.000 6.011) 6.158 ======================= Grid point 367 (66/84) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 21.252 0.000 -21.868) 30.493 2.535 ( 21.252 0.000 21.868) 30.493 2.775 ( 27.759 0.000 -17.616) 32.877 2.775 ( 27.759 0.000 17.616) 32.877 4.496 ( -1.237 0.000 -0.262) 1.264 4.496 ( -1.237 0.000 0.262) 1.264 4.798 ( 15.597 0.000 -19.237) 24.765 4.798 ( 15.597 0.000 19.237) 24.765 4.942 ( 22.011 0.000 -52.186) 56.639 4.942 ( 22.012 0.000 52.186) 56.639 5.553 ( -4.343 0.000 -2.127) 4.836 5.553 ( -4.343 0.000 2.127) 4.836 6.447 ( -11.751 0.000 -24.497) 27.169 6.447 ( -11.751 0.000 24.497) 27.169 7.036 ( -2.075 0.000 -4.331) 4.802 7.036 ( -2.075 0.000 4.331) 4.802 7.883 ( 11.861 0.000 -13.698) 18.120 7.883 ( 11.861 0.000 13.698) 18.120 8.369 ( -0.389 0.000 -4.041) 4.059 8.369 ( -0.389 0.000 4.041) 4.059 8.464 ( -5.845 0.000 -5.134) 7.780 8.464 ( -5.845 0.000 5.134) 7.780 8.548 ( -5.170 0.000 -22.441) 23.029 8.548 ( -5.170 0.000 22.441) 23.029 9.195 ( -6.126 0.000 -1.196) 6.242 9.195 ( -6.126 0.000 1.196) 6.242 10.357 ( 11.501 0.000 -6.907) 13.416 10.357 ( 11.501 0.000 6.907) 13.416 11.271 ( -6.998 0.000 -7.863) 10.526 11.271 ( -6.998 0.000 7.863) 10.526 13.199 ( -9.448 0.000 -0.064) 9.449 13.199 ( -9.448 0.000 0.064) 9.449 14.437 ( -0.012 0.000 -0.498) 0.498 14.437 ( -0.012 0.000 0.498) 0.498 15.514 ( -7.755 0.000 -0.713) 7.788 15.514 ( -7.755 0.000 0.713) 7.788 16.391 ( -15.552 0.000 -1.175) 15.596 16.391 ( -15.552 0.000 1.175) 15.596 16.886 ( -24.771 0.000 -7.406) 25.855 16.886 ( -24.771 0.000 7.406) 25.855 17.128 ( -23.742 0.000 -3.858) 24.053 17.128 ( -23.742 0.000 3.858) 24.053 18.697 ( 3.045 0.000 -0.866) 3.166 18.697 ( 3.045 0.000 0.866) 3.166 19.054 ( 8.918 0.000 -0.361) 8.925 19.054 ( 8.918 0.000 0.361) 8.925 20.060 ( 3.770 0.000 -4.239) 5.673 20.060 ( 3.770 0.000 4.239) 5.673 21.015 ( 29.561 0.000 -15.389) 33.326 21.015 ( 29.561 0.000 15.389) 33.326 22.139 ( -1.751 0.000 -6.841) 7.061 22.139 ( -1.751 0.000 6.841) 7.061 22.865 ( -1.726 0.000 -6.754) 6.971 22.865 ( -1.726 0.000 6.754) 6.971 ======================= Grid point 369 (67/84) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 29.122 0.000 -16.191) 33.320 3.045 ( 29.122 0.000 16.191) 33.320 3.376 ( 31.663 0.000 -12.132) 33.908 3.376 ( 31.663 0.000 12.132) 33.908 4.461 ( -2.212 0.000 -2.377) 3.247 4.461 ( -2.212 0.000 2.377) 3.247 5.112 ( 12.727 0.000 -12.490) 17.832 5.112 ( 12.727 0.000 12.490) 17.832 5.234 ( 4.213 0.000 -13.050) 13.713 5.234 ( 4.213 0.000 13.050) 13.713 5.635 ( 16.067 0.000 -25.431) 30.082 5.635 ( 16.067 0.000 25.431) 30.082 6.182 ( -13.613 0.000 -9.812) 16.781 6.182 ( -13.613 0.000 9.812) 16.781 6.965 ( -4.809 0.000 -3.803) 6.131 6.965 ( -4.809 0.000 3.803) 6.131 7.910 ( -6.754 0.000 -12.260) 13.997 7.910 ( -6.754 0.000 12.260) 13.997 8.266 ( -7.880 0.000 -2.468) 8.258 8.266 ( -7.880 0.000 2.468) 8.258 8.395 ( -5.828 0.000 -12.600) 13.883 8.395 ( -5.828 0.000 12.600) 13.883 8.446 ( -5.299 0.000 -11.016) 12.224 8.446 ( -5.299 0.000 11.016) 12.224 9.233 ( 10.656 0.000 -11.695) 15.822 9.233 ( 10.656 0.000 11.695) 15.822 10.523 ( 4.083 0.000 -2.754) 4.925 10.523 ( 4.083 0.000 2.754) 4.925 11.137 ( -5.446 0.000 -4.536) 7.087 11.137 ( -5.446 0.000 4.536) 7.087 12.999 ( -10.006 0.000 -0.013) 10.006 12.999 ( -10.006 0.000 0.013) 10.006 14.442 ( 0.511 0.000 -0.334) 0.611 14.442 ( 0.511 0.000 0.334) 0.611 15.369 ( -6.094 0.000 -1.963) 6.403 15.369 ( -6.094 0.000 1.963) 6.403 16.052 ( -16.173 0.000 -10.103) 19.069 16.052 ( -16.173 0.000 10.103) 19.069 16.529 ( -13.011 0.000 -1.174) 13.064 16.529 ( -13.011 0.000 1.174) 13.064 16.699 ( -19.157 0.000 -0.009) 19.157 16.699 ( -19.157 0.000 0.009) 19.157 18.739 ( 1.075 0.000 -0.843) 1.366 18.739 ( 1.075 0.000 0.843) 1.366 19.237 ( 9.415 0.000 -4.164) 10.295 19.237 ( 9.415 0.000 4.164) 10.295 20.105 ( 0.214 0.000 -9.611) 9.613 20.105 ( 0.214 0.000 9.611) 9.613 21.453 ( 14.528 0.000 -9.659) 17.446 21.453 ( 14.528 0.000 9.659) 17.446 22.164 ( 4.943 0.000 -11.777) 12.772 22.164 ( 4.943 0.000 11.777) 12.772 22.827 ( -2.198 0.000 -7.485) 7.801 22.827 ( -2.198 0.000 7.485) 7.801 ======================= Grid point 371 (68/84) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 29.635 0.000 -12.858) 32.304 3.645 ( 29.635 0.000 12.858) 32.304 4.001 ( 30.360 0.000 -8.660) 31.571 4.001 ( 30.360 0.000 8.660) 31.571 4.417 ( -1.770 0.000 -2.527) 3.086 4.417 ( -1.770 0.000 2.527) 3.086 5.128 ( -4.050 0.000 -2.791) 4.918 5.128 ( -4.050 0.000 2.791) 4.918 5.367 ( 1.313 0.000 -4.653) 4.834 5.367 ( 1.313 0.000 4.653) 4.834 5.736 ( -10.297 0.000 -16.141) 19.146 5.736 ( -10.297 0.000 16.141) 19.146 6.212 ( 19.936 0.000 -38.804) 43.626 6.212 ( 19.936 0.000 38.804) 43.626 6.864 ( -4.481 0.000 -0.656) 4.529 6.864 ( -4.481 0.000 0.656) 4.529 7.704 ( -12.560 0.000 -14.230) 18.980 7.704 ( -12.560 0.000 14.230) 18.980 8.129 ( -5.508 0.000 -1.336) 5.668 8.129 ( -5.508 0.000 1.336) 5.668 8.212 ( -11.296 0.000 -4.014) 11.988 8.212 ( -11.296 0.000 4.014) 11.988 8.331 ( -5.087 0.000 -9.774) 11.018 8.331 ( -5.087 0.000 9.774) 11.018 9.519 ( 15.388 0.000 -14.693) 21.276 9.519 ( 15.388 0.000 14.693) 21.276 10.496 ( -6.071 0.000 -1.949) 6.376 10.496 ( -6.071 0.000 1.949) 6.376 11.085 ( -0.050 0.000 -0.078) 0.092 11.085 ( -0.050 0.000 0.078) 0.092 12.823 ( -7.274 0.000 -0.005) 7.274 12.823 ( -7.274 0.000 0.005) 7.274 14.456 ( 0.761 0.000 -0.018) 0.761 14.456 ( 0.761 0.000 0.018) 0.761 15.289 ( -1.985 0.000 -2.409) 3.121 15.289 ( -1.985 0.000 2.409) 3.121 15.793 ( -9.749 0.000 -9.334) 13.497 15.793 ( -9.749 0.000 9.334) 13.497 16.310 ( -9.732 0.000 -0.051) 9.732 16.310 ( -9.732 0.000 0.051) 9.732 16.386 ( -11.612 0.000 -0.803) 11.640 16.386 ( -11.612 0.000 0.803) 11.640 18.745 ( -0.285 0.000 -0.743) 0.796 18.745 ( -0.285 0.000 0.743) 0.796 19.428 ( 9.653 0.000 -6.887) 11.858 19.428 ( 9.654 0.000 6.887) 11.858 20.061 ( -4.457 0.000 -11.759) 12.576 20.061 ( -4.457 0.000 11.759) 12.576 21.629 ( 4.683 0.000 -4.720) 6.649 21.629 ( 4.683 0.000 4.720) 6.649 22.320 ( 9.403 0.000 -13.212) 16.217 22.320 ( 9.403 0.000 13.212) 16.217 22.773 ( -3.335 0.000 -8.060) 8.723 22.773 ( -3.335 0.000 8.060) 8.723 ======================= Grid point 373 (69/84) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( 13.390 0.000 -5.378) 14.429 4.116 ( 13.390 0.000 5.378) 14.429 4.400 ( 2.832 0.000 -0.523) 2.880 4.400 ( 2.832 0.000 0.523) 2.880 4.582 ( 26.005 0.000 -3.070) 26.185 4.582 ( 26.005 0.000 3.070) 26.185 5.051 ( -8.521 0.000 -2.238) 8.810 5.051 ( -8.521 0.000 2.238) 8.810 5.114 ( -16.497 0.000 -1.293) 16.548 5.114 ( -16.497 0.000 1.293) 16.548 5.620 ( -2.621 0.000 -3.541) 4.405 5.620 ( -2.621 0.000 3.541) 4.405 6.609 ( 16.327 0.000 -17.877) 24.211 6.609 ( 16.327 0.000 17.877) 24.211 6.799 ( -3.471 0.000 -0.287) 3.483 6.799 ( -3.471 0.000 0.287) 3.483 7.469 ( -8.742 0.000 -11.187) 14.197 7.469 ( -8.742 0.000 11.187) 14.197 8.007 ( -6.104 0.000 -0.858) 6.164 8.007 ( -6.104 0.000 0.858) 6.164 8.066 ( -2.039 0.000 -0.078) 2.041 8.066 ( -2.039 0.000 0.078) 2.041 8.259 ( -1.920 0.000 -4.283) 4.693 8.259 ( -1.920 0.000 4.283) 4.693 9.774 ( 8.412 0.000 -7.985) 11.598 9.774 ( 8.412 0.000 7.985) 11.598 10.353 ( -5.919 0.000 -4.290) 7.311 10.353 ( -5.919 0.000 4.290) 7.311 11.098 ( 0.621 0.000 -0.559) 0.835 11.098 ( 0.621 0.000 0.559) 0.835 12.722 ( -2.613 0.000 -0.012) 2.613 12.722 ( -2.613 0.000 0.012) 2.613 14.468 ( 0.401 0.000 -0.015) 0.402 14.468 ( 0.401 0.000 0.015) 0.402 15.277 ( 0.173 0.000 -1.047) 1.062 15.277 ( 0.173 0.000 1.047) 1.062 15.662 ( -3.406 0.000 -3.678) 5.013 15.662 ( -3.406 0.000 3.678) 5.013 16.159 ( -4.336 0.000 -0.016) 4.336 16.159 ( -4.336 0.000 0.016) 4.336 16.240 ( -3.510 0.000 -0.504) 3.546 16.240 ( -3.510 0.000 0.504) 3.546 18.737 ( -0.282 0.000 -0.310) 0.419 18.737 ( -0.282 0.000 0.310) 0.419 19.600 ( 6.396 0.000 -5.708) 8.573 19.600 ( 6.396 0.000 5.708) 8.573 19.954 ( -4.863 0.000 -7.651) 9.066 19.954 ( -4.863 0.000 7.651) 9.066 21.682 ( 1.159 0.000 -1.562) 1.945 21.682 ( 1.159 0.000 1.562) 1.945 22.489 ( 6.364 0.000 -8.670) 10.755 22.489 ( 6.364 0.000 8.670) 10.755 22.697 ( -3.752 0.000 -6.702) 7.681 22.697 ( -3.752 0.000 6.702) 7.681 ======================= Grid point 387 (70/84) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 6.364 6.364 0.000) 9.000 2.254 ( 5.281 5.281 -0.000) 7.468 2.454 ( 16.817 16.817 0.000) 23.783 2.597 ( 19.501 19.501 -0.000) 27.578 4.480 ( -1.764 -1.764 0.000) 2.495 4.527 ( 1.479 1.479 -0.000) 2.091 4.632 ( 8.302 8.302 0.000) 11.741 4.639 ( 9.397 9.397 -0.000) 13.290 4.693 ( 12.521 12.521 -0.001) 17.707 4.694 ( 14.508 14.508 0.001) 20.517 5.484 ( -8.015 -8.015 -0.000) 11.335 5.756 ( 3.692 3.692 -0.000) 5.221 6.529 ( -9.288 -9.288 0.000) 13.135 6.585 ( -5.789 -5.789 -0.000) 8.187 7.009 ( 1.909 1.909 -0.000) 2.699 7.306 ( 10.040 10.040 0.000) 14.198 7.423 ( 3.771 3.771 -0.000) 5.333 7.743 ( 11.242 11.242 -0.000) 15.899 8.347 ( -3.437 -3.437 -0.000) 4.861 8.412 ( 1.475 1.475 -0.000) 2.087 8.495 ( -4.314 -4.314 -0.000) 6.100 8.589 ( -2.668 -2.668 -0.000) 3.773 8.605 ( -1.528 -1.528 -0.000) 2.161 8.610 ( -2.800 -2.800 0.000) 3.960 9.176 ( -9.181 -9.181 -0.000) 12.984 9.487 ( -1.521 -1.521 -0.000) 2.151 9.964 ( 0.327 0.327 0.000) 0.463 10.384 ( 14.239 14.239 -0.000) 20.137 11.276 ( -7.409 -7.409 0.000) 10.477 11.415 ( -0.612 -0.612 0.000) 0.865 13.201 ( -9.541 -9.541 0.000) 13.493 13.406 ( -0.119 -0.119 0.000) 0.168 14.374 ( -3.308 -3.308 -0.000) 4.678 14.498 ( 2.557 2.557 -0.000) 3.615 15.461 ( -10.273 -10.273 0.000) 14.529 15.755 ( 2.499 2.499 0.000) 3.534 16.449 ( -12.745 -12.745 0.000) 18.024 16.626 ( -3.181 -3.181 0.000) 4.498 16.953 ( -23.877 -23.877 -0.000) 33.768 17.446 ( -15.491 -15.491 0.000) 21.907 17.488 ( -20.211 -20.211 -0.000) 28.583 17.901 ( -0.998 -0.998 0.000) 1.411 17.975 ( -16.961 -16.961 0.000) 23.986 18.778 ( 0.689 0.689 0.000) 0.974 18.905 ( 4.644 4.644 -0.000) 6.567 18.997 ( 0.613 0.613 0.000) 0.867 19.921 ( -1.021 -1.021 -0.000) 1.444 20.122 ( 8.329 8.329 -0.000) 11.778 20.613 ( 24.526 24.526 0.000) 34.686 20.664 ( 30.158 30.158 0.000) 42.649 22.095 ( -6.045 -6.045 -0.000) 8.548 22.230 ( 0.585 0.585 0.000) 0.828 22.860 ( -1.408 -1.408 0.000) 1.992 22.922 ( 0.317 0.317 0.000) 0.448 ======================= Grid point 389 (71/84) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 16.652 0.338 0.000) 16.655 2.496 ( 18.736 -3.732 -0.000) 19.104 2.909 ( 28.157 18.000 0.000) 33.419 3.058 ( 26.024 17.928 -0.000) 31.601 4.437 ( -2.447 -3.392 0.000) 4.182 4.533 ( -0.742 1.100 0.000) 1.327 4.869 ( 14.658 7.478 -0.000) 16.455 4.894 ( 15.363 8.819 -0.000) 17.714 4.989 ( 8.900 0.796 -0.000) 8.935 5.030 ( 19.806 9.027 0.000) 21.766 5.430 ( 8.273 2.373 -0.000) 8.606 5.776 ( -1.842 10.490 -0.000) 10.650 6.307 ( -12.767 -10.653 0.000) 16.628 6.423 ( -10.593 -4.482 -0.000) 11.502 7.034 ( 0.047 3.691 -0.000) 3.691 7.240 ( -7.294 12.919 -0.000) 14.836 7.727 ( 13.564 -10.680 0.000) 17.263 7.857 ( -1.645 -6.173 -0.000) 6.388 8.264 ( -4.609 -5.408 -0.000) 7.105 8.362 ( -6.017 -3.139 -0.000) 6.787 8.508 ( -4.976 -2.452 -0.000) 5.547 8.528 ( -5.121 -2.442 0.000) 5.674 8.535 ( -5.956 2.444 0.000) 6.438 8.573 ( 11.258 10.785 -0.000) 15.590 9.070 ( 0.315 -3.498 -0.000) 3.512 9.348 ( -8.939 5.908 -0.000) 10.715 10.089 ( 9.107 -11.286 0.000) 14.503 10.642 ( 10.631 13.724 -0.000) 17.360 11.104 ( -9.141 -10.071 0.000) 13.601 11.367 ( -4.028 2.911 0.000) 4.969 12.994 ( -10.610 -10.831 0.000) 15.162 13.348 ( -5.657 5.469 0.000) 7.868 14.321 ( -1.767 -5.647 -0.000) 5.917 14.543 ( 2.009 4.867 -0.000) 5.266 15.270 ( -8.168 -11.023 -0.000) 13.719 15.744 ( -3.483 9.720 0.000) 10.325 16.131 ( -17.532 -15.575 -0.000) 23.451 16.500 ( -9.785 1.269 0.000) 9.867 16.564 ( -15.330 -14.695 -0.000) 21.236 16.895 ( -30.898 -11.026 0.000) 32.806 17.095 ( -18.403 -4.189 -0.000) 18.874 17.370 ( -24.510 17.755 0.000) 30.265 18.240 ( 12.162 -26.030 0.000) 28.731 18.889 ( -3.120 3.680 0.000) 4.824 18.898 ( 9.924 -8.229 -0.000) 12.892 19.074 ( 5.648 -2.666 0.000) 6.246 19.914 ( -0.047 -4.888 -0.000) 4.888 20.263 ( 4.843 9.119 -0.000) 10.326 21.104 ( 22.653 10.530 -0.000) 24.980 21.229 ( 23.664 15.578 0.000) 28.331 21.995 ( -2.679 -7.123 -0.000) 7.610 22.239 ( 0.905 3.798 0.000) 3.905 22.843 ( -0.383 0.009 0.000) 0.383 22.906 ( -1.915 1.472 0.000) 2.415 ======================= Grid point 391 (72/84) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 25.942 -6.187 0.000) 26.669 2.966 ( 27.335 -8.987 -0.000) 28.775 3.539 ( 34.276 17.607 0.000) 38.533 3.595 ( 27.034 14.463 -0.000) 30.660 4.386 ( -2.569 -4.440 0.000) 5.130 4.499 ( -2.539 0.780 0.000) 2.656 4.993 ( -2.051 -8.109 -0.000) 8.364 5.198 ( 16.014 5.849 0.000) 17.048 5.199 ( 13.186 7.377 -0.000) 15.109 5.402 ( 14.589 5.369 -0.000) 15.546 5.686 ( -7.567 8.530 -0.000) 11.402 5.827 ( 25.782 12.998 0.000) 28.873 6.067 ( -7.732 -7.395 -0.000) 10.699 6.160 ( -15.763 -4.481 -0.000) 16.388 7.013 ( -1.872 5.728 -0.000) 6.026 7.058 ( -10.854 5.519 -0.000) 12.177 7.722 ( -10.110 -12.236 0.000) 15.872 7.840 ( -1.503 -9.660 -0.000) 9.776 8.167 ( -5.329 -7.498 -0.000) 9.199 8.235 ( -6.347 -1.529 -0.000) 6.529 8.372 ( -9.251 5.908 -0.000) 10.977 8.405 ( -5.696 -2.519 -0.000) 6.228 8.416 ( -5.816 -2.284 0.000) 6.248 8.706 ( -3.156 13.985 -0.000) 14.336 9.219 ( 13.499 1.169 0.000) 13.549 9.284 ( 6.031 2.283 -0.000) 6.449 10.250 ( 6.053 -13.679 -0.000) 14.958 10.705 ( -7.010 2.759 0.000) 7.533 11.010 ( 2.313 -2.668 -0.000) 3.531 11.270 ( -5.139 5.432 0.000) 7.478 12.804 ( -7.950 -9.065 0.000) 12.058 13.191 ( -9.622 8.976 0.000) 13.159 14.315 ( 1.381 -5.460 -0.000) 5.632 14.577 ( 1.280 6.436 -0.000) 6.562 15.158 ( -2.920 -8.326 -0.000) 8.823 15.633 ( -6.918 13.053 0.000) 14.773 15.824 ( -12.491 -11.603 -0.000) 17.049 16.203 ( -18.227 4.219 0.000) 18.709 16.307 ( -11.048 -10.781 0.000) 15.436 16.464 ( -13.288 -9.372 0.000) 16.260 16.752 ( -15.480 1.123 -0.000) 15.521 16.907 ( -21.600 15.601 0.000) 26.645 18.426 ( 6.964 -20.084 0.000) 21.257 18.816 ( -4.039 -1.377 -0.000) 4.267 19.127 ( 12.484 -9.147 -0.000) 15.477 19.205 ( 7.558 -3.880 0.000) 8.496 19.904 ( -1.341 -7.834 -0.000) 7.948 20.284 ( -2.918 5.159 0.000) 5.926 21.469 ( 13.680 4.123 -0.000) 14.287 21.559 ( 9.709 6.747 0.000) 11.823 22.040 ( 7.560 -4.406 -0.000) 8.750 22.290 ( 4.679 5.558 0.000) 7.265 22.835 ( -0.737 1.463 0.000) 1.638 22.850 ( -3.660 1.026 -0.000) 3.801 ======================= Grid point 393 (73/84) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 31.302 -11.033 0.000) 33.190 3.537 ( 28.790 -9.810 -0.000) 30.416 4.081 ( 19.578 8.867 0.000) 21.492 4.234 ( 34.299 15.638 0.000) 37.696 4.351 ( 0.166 -4.014 0.000) 4.018 4.440 ( -2.854 0.213 -0.000) 2.862 4.985 ( 1.808 -3.381 -0.000) 3.834 5.252 ( -12.627 -4.750 -0.000) 13.491 5.424 ( -12.562 10.522 -0.000) 16.387 5.454 ( 7.248 6.359 -0.000) 9.642 5.582 ( 3.677 -1.214 -0.000) 3.873 5.813 ( -17.646 -3.240 -0.000) 17.941 6.176 ( 15.532 0.073 -0.000) 15.532 6.340 ( 24.221 9.736 0.000) 26.104 6.833 ( -10.429 -0.877 -0.000) 10.465 6.988 ( 0.211 8.407 0.000) 8.409 7.500 ( -11.403 -11.408 0.000) 16.130 7.720 ( -9.716 -3.989 -0.000) 10.503 8.060 ( -4.719 -4.677 -0.000) 6.645 8.121 ( -4.891 -1.076 -0.000) 5.008 8.193 ( -7.708 6.881 -0.000) 10.333 8.300 ( -4.566 -2.343 -0.000) 5.132 8.308 ( -4.815 -1.940 0.000) 5.191 8.493 ( -14.586 13.422 -0.000) 19.822 9.515 ( 13.733 -0.937 0.000) 13.765 9.529 ( 15.903 1.344 -0.000) 15.960 10.303 ( -1.014 -12.064 -0.000) 12.107 10.476 ( -13.174 -6.726 0.000) 14.791 11.094 ( 3.915 3.379 -0.000) 5.172 11.185 ( -2.933 5.593 0.000) 6.316 12.694 ( -2.806 -4.932 0.000) 5.675 12.987 ( -10.303 8.801 0.000) 13.550 14.374 ( 4.282 -2.176 -0.000) 4.803 14.588 ( -0.375 7.029 0.000) 7.039 15.153 ( 2.271 -4.563 -0.000) 5.097 15.499 ( -6.565 11.896 0.000) 13.587 15.641 ( -5.358 -7.064 -0.000) 8.866 15.898 ( -11.687 2.234 0.000) 11.898 16.118 ( -7.757 -9.130 0.000) 11.980 16.238 ( -10.597 -7.116 0.000) 12.765 16.494 ( -10.286 3.762 -0.000) 10.953 16.543 ( -14.128 12.528 0.000) 18.882 18.532 ( 3.991 -15.410 0.000) 15.918 18.734 ( -4.034 -5.480 0.000) 6.805 19.369 ( 8.665 -4.439 -0.000) 9.736 19.381 ( 12.783 -6.689 0.000) 14.427 19.852 ( -3.906 -9.711 -0.000) 10.468 20.157 ( -9.251 -0.461 0.000) 9.262 21.654 ( 5.572 2.956 -0.000) 6.308 21.675 ( 3.481 3.813 0.000) 5.163 22.240 ( 10.890 -2.799 0.000) 11.244 22.420 ( 7.696 4.937 -0.000) 9.143 22.762 ( -5.033 -0.507 0.000) 5.059 22.805 ( -2.414 2.212 -0.000) 3.274 ======================= Grid point 395 (74/84) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 19.193 -5.411 0.000) 19.941 4.093 ( 24.876 -8.097 0.000) 26.161 4.267 ( 5.166 -5.825 -0.000) 7.786 4.387 ( -0.830 -2.828 0.000) 2.947 4.439 ( 4.206 -2.434 -0.000) 4.859 4.789 ( -26.581 -15.827 -0.000) 30.936 4.886 ( 26.988 14.793 0.000) 30.776 5.063 ( 5.494 3.751 0.000) 6.653 5.230 ( -7.998 11.048 0.000) 13.639 5.368 ( -15.980 13.028 -0.000) 20.617 5.569 ( -4.470 -5.583 -0.000) 7.152 5.585 ( -3.180 -1.266 0.000) 3.423 6.487 ( 13.118 -2.798 -0.000) 13.413 6.658 ( -3.739 -3.913 0.000) 5.413 6.780 ( 14.928 6.534 -0.000) 16.295 6.997 ( -3.227 9.505 -0.000) 10.038 7.335 ( -1.306 -6.766 0.000) 6.891 7.486 ( -12.453 -0.293 -0.000) 12.456 8.014 ( 0.609 -1.119 -0.000) 1.274 8.048 ( -2.365 -1.847 -0.000) 3.000 8.099 ( -0.966 8.031 0.000) 8.089 8.204 ( -10.080 10.920 0.000) 14.861 8.237 ( -1.560 -2.095 0.000) 2.612 8.247 ( -3.681 -0.181 0.000) 3.685 9.762 ( 9.691 -1.125 0.000) 9.756 9.791 ( 8.293 1.413 -0.000) 8.412 10.229 ( -4.832 -10.109 -0.000) 11.205 10.243 ( -8.296 -10.267 0.000) 13.200 11.143 ( 1.158 3.744 0.000) 3.919 11.155 ( -0.525 4.258 -0.000) 4.290 12.696 ( 2.905 0.340 0.000) 2.925 12.804 ( -7.689 5.418 0.000) 9.406 14.471 ( 4.999 2.376 0.000) 5.535 14.555 ( -3.077 5.862 0.000) 6.620 15.234 ( 5.494 -0.574 -0.000) 5.524 15.361 ( -6.997 4.652 0.000) 8.402 15.624 ( 2.912 -0.052 -0.000) 2.913 15.723 ( -6.612 2.255 0.000) 6.986 16.014 ( -2.157 -8.448 0.000) 8.719 16.055 ( -6.463 -7.260 0.000) 9.720 16.353 ( -3.572 5.857 -0.000) 6.861 16.360 ( -4.469 8.406 0.000) 9.520 18.598 ( 3.013 -11.731 -0.000) 12.112 18.660 ( -3.363 -8.662 0.000) 9.292 19.539 ( 7.942 -4.330 -0.000) 9.046 19.605 ( 6.473 -1.665 0.000) 6.684 19.777 ( -0.295 -12.099 0.000) 12.102 19.942 ( -11.673 -5.609 0.000) 12.951 21.719 ( 1.408 3.350 -0.000) 3.634 21.720 ( 1.129 3.595 0.000) 3.769 22.440 ( 8.820 -2.103 0.000) 9.067 22.545 ( 1.748 2.574 -0.000) 3.112 22.672 ( -1.578 -0.911 0.000) 1.822 22.736 ( -4.459 2.190 -0.000) 4.967 ======================= Grid point 411 (75/84) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 8.075 8.075 0.000) 11.420 2.567 ( 9.007 9.007 -0.000) 12.738 3.371 ( 27.412 27.412 0.000) 38.766 3.462 ( 22.323 22.323 -0.000) 31.570 4.364 ( -3.868 -3.868 0.000) 5.471 4.534 ( -1.104 -1.104 0.000) 1.561 4.927 ( -4.123 -4.123 -0.000) 5.831 5.085 ( 13.591 13.591 -0.000) 19.220 5.132 ( 14.365 14.365 -0.000) 20.315 5.265 ( 13.092 13.092 -0.000) 18.515 5.680 ( 19.198 19.198 0.000) 27.150 5.940 ( 5.242 5.242 -0.000) 7.413 6.051 ( -13.957 -13.957 -0.000) 19.738 6.278 ( -10.066 -10.066 -0.000) 14.235 7.115 ( 3.301 3.301 -0.000) 4.668 7.357 ( -8.731 -8.731 0.000) 12.348 7.599 ( 4.375 4.375 -0.000) 6.187 7.679 ( -10.545 -10.545 -0.000) 14.912 8.151 ( -5.918 -5.918 -0.000) 8.369 8.288 ( -4.281 -4.281 -0.000) 6.054 8.434 ( -4.463 -4.463 -0.000) 6.312 8.452 ( -4.969 -4.969 0.000) 7.028 8.551 ( -1.612 -1.612 -0.000) 2.279 8.814 ( 12.173 12.173 -0.000) 17.215 9.090 ( 5.943 5.943 -0.000) 8.404 9.365 ( -4.868 -4.868 -0.000) 6.884 9.965 ( -0.352 -0.352 -0.000) 0.498 10.873 ( -12.314 -12.314 0.000) 17.415 10.890 ( 10.172 10.172 -0.000) 14.386 11.387 ( -0.738 -0.738 0.000) 1.044 12.791 ( -8.955 -8.955 0.000) 12.664 13.408 ( 0.296 0.296 0.000) 0.418 14.232 ( -2.629 -2.629 -0.000) 3.719 14.630 ( 3.819 3.819 -0.000) 5.400 15.100 ( -5.731 -5.731 -0.000) 8.105 15.825 ( -13.807 -13.807 -0.000) 19.526 15.879 ( 3.445 3.445 0.000) 4.872 16.311 ( -11.182 -11.182 0.000) 15.814 16.456 ( -4.972 -4.972 0.000) 7.032 16.559 ( -21.135 -21.135 0.000) 29.889 16.944 ( -10.504 -10.504 -0.000) 14.855 17.582 ( -8.497 -8.497 0.000) 12.017 17.850 ( -1.444 -1.444 0.000) 2.042 18.814 ( 1.027 1.027 0.000) 1.453 18.871 ( -5.574 -5.574 -0.000) 7.883 19.040 ( 1.568 1.568 0.000) 2.218 19.846 ( -2.609 -2.609 -0.000) 3.690 20.366 ( 0.321 0.321 0.000) 0.454 21.355 ( 13.169 13.169 -0.000) 18.623 21.523 ( 11.999 11.999 0.000) 16.969 21.913 ( 0.373 0.373 -0.000) 0.528 22.306 ( 3.415 3.415 0.000) 4.829 22.859 ( 1.146 1.146 0.000) 1.620 22.908 ( -1.438 -1.438 0.000) 2.034 ======================= Grid point 413 (76/84) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 20.771 -3.764 0.000) 21.110 2.839 ( 18.250 0.033 -0.000) 18.250 3.920 ( 22.654 17.780 0.000) 28.798 3.963 ( 31.025 23.707 -0.000) 39.046 4.289 ( -3.455 -5.219 0.000) 6.259 4.488 ( -3.274 -1.855 0.000) 3.763 4.898 ( 1.887 -0.811 -0.000) 2.054 5.371 ( -1.506 2.993 -0.000) 3.351 5.382 ( 15.177 12.115 -0.000) 19.420 5.455 ( 8.450 3.616 -0.000) 9.191 5.815 ( -3.896 3.266 -0.000) 5.083 5.937 ( -9.494 -10.401 0.000) 14.082 6.028 ( 4.404 6.206 -0.000) 7.610 6.178 ( 15.065 13.767 -0.000) 20.408 7.076 ( -15.783 -5.336 0.000) 16.660 7.150 ( 0.451 7.051 -0.000) 7.065 7.470 ( -9.948 -12.322 -0.000) 15.836 7.701 ( 2.458 -1.872 -0.000) 3.090 8.040 ( -4.789 -5.783 -0.000) 7.508 8.192 ( -5.336 -2.929 -0.000) 6.087 8.336 ( -5.220 -4.116 -0.001) 6.647 8.342 ( -5.769 -5.045 0.001) 7.664 8.471 ( -6.028 2.893 -0.000) 6.686 8.947 ( -3.857 10.292 -0.000) 10.991 9.280 ( 2.718 -3.969 0.000) 4.810 9.294 ( 13.625 6.675 -0.000) 15.172 10.024 ( 4.304 -7.784 -0.000) 8.894 10.594 ( -14.992 -10.904 0.000) 18.538 11.067 ( 6.947 5.445 -0.000) 8.827 11.345 ( -3.205 2.027 0.000) 3.792 12.659 ( -3.967 -5.043 0.000) 6.416 13.349 ( -6.224 6.659 0.000) 9.115 14.239 ( 3.578 -1.942 -0.000) 4.071 14.694 ( 2.502 5.257 -0.000) 5.822 15.049 ( 0.524 -2.481 -0.000) 2.535 15.612 ( -7.282 -8.153 -0.000) 10.932 15.876 ( -3.767 9.848 0.000) 10.543 16.105 ( -9.646 -9.889 -0.000) 13.815 16.137 ( -19.366 -12.122 0.000) 22.847 16.326 ( -7.790 -2.692 0.000) 8.242 16.715 ( -11.400 -4.821 -0.000) 12.377 17.187 ( -22.282 10.618 0.000) 24.683 18.017 ( 9.716 -18.846 0.000) 21.203 18.722 ( -8.237 -7.507 -0.000) 11.145 18.933 ( 9.911 -8.360 0.000) 12.967 19.126 ( 6.332 -2.862 0.000) 6.949 19.792 ( -3.166 -4.173 -0.000) 5.238 20.272 ( -9.105 -6.409 0.000) 11.134 21.587 ( 9.647 6.904 -0.000) 11.863 21.685 ( 5.313 5.692 0.000) 7.786 22.020 ( 8.883 2.239 0.000) 9.161 22.390 ( 5.190 4.648 0.000) 6.967 22.849 ( -4.394 -1.422 0.000) 4.618 22.873 ( -0.036 1.900 -0.000) 1.900 ======================= Grid point 415 (77/84) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 25.770 -8.372 0.000) 27.096 3.317 ( 27.887 -11.087 -0.000) 30.010 4.210 ( -0.441 -2.548 0.000) 2.586 4.335 ( 12.961 7.964 0.000) 15.212 4.376 ( -2.738 -3.072 -0.000) 4.115 4.605 ( 27.325 17.131 -0.000) 32.251 5.004 ( 8.405 5.256 0.000) 9.913 5.022 ( -24.666 -15.538 -0.000) 29.152 5.556 ( -7.914 -5.393 -0.000) 9.577 5.591 ( 0.249 8.644 -0.000) 8.648 5.696 ( -0.169 2.444 -0.000) 2.450 5.777 ( -3.815 14.459 0.000) 14.954 6.226 ( 14.475 5.062 -0.000) 15.335 6.554 ( 17.708 10.381 -0.000) 20.527 6.788 ( -11.805 -3.576 0.000) 12.334 7.171 ( 2.887 9.193 -0.000) 9.636 7.286 ( -8.851 -9.492 -0.000) 12.978 7.677 ( -4.661 0.165 -0.000) 4.664 7.971 ( -2.145 -4.338 -0.000) 4.839 8.083 ( -5.290 -2.657 -0.000) 5.920 8.236 ( -4.517 -3.996 -0.002) 6.030 8.237 ( -4.421 -5.018 0.002) 6.688 8.343 ( -5.680 6.483 0.000) 8.619 8.719 ( -14.651 8.777 -0.000) 17.079 9.455 ( 11.378 -5.793 -0.000) 12.768 9.587 ( 14.754 4.793 -0.000) 15.513 10.085 ( 1.089 -8.237 -0.000) 8.309 10.287 ( -15.473 -11.086 0.000) 19.035 11.167 ( 3.279 3.107 -0.000) 4.518 11.277 ( -3.237 3.235 0.000) 4.576 12.642 ( 2.321 -0.008 0.000) 2.321 13.173 ( -10.926 9.808 0.000) 14.682 14.364 ( 8.435 0.847 -0.000) 8.478 14.722 ( -0.015 6.226 0.000) 6.226 15.114 ( 5.753 0.760 -0.000) 5.803 15.530 ( -1.844 -3.496 -0.000) 3.952 15.750 ( -7.653 12.284 0.000) 14.473 15.830 ( -11.163 -9.256 0.000) 14.501 15.931 ( -7.361 -9.797 0.000) 12.255 16.156 ( -9.218 -0.795 0.000) 9.252 16.526 ( -7.054 -0.620 -0.000) 7.082 16.781 ( -17.532 10.458 0.000) 20.414 18.184 ( 7.166 -18.039 0.000) 19.410 18.564 ( -7.411 -10.758 -0.000) 13.064 19.171 ( 13.473 -12.571 0.000) 18.426 19.273 ( 8.088 -4.569 0.000) 9.289 19.711 ( -5.014 -5.039 -0.000) 7.109 20.039 ( -13.602 -10.872 0.000) 17.413 21.732 ( 5.086 4.489 -0.000) 6.784 21.768 ( 3.134 5.077 0.000) 5.967 22.212 ( 9.893 -0.133 0.000) 9.893 22.511 ( 6.682 4.149 -0.000) 7.866 22.739 ( -6.435 -2.099 0.000) 6.768 22.849 ( -2.436 1.845 0.000) 3.056 ======================= Grid point 417 (78/84) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.840 ( 29.528 -14.198 0.000) 32.764 3.877 ( 26.395 -11.398 -0.000) 28.751 4.187 ( -2.059 -4.902 -0.000) 5.317 4.296 ( -3.666 -6.220 0.000) 7.220 4.385 ( -9.501 -5.030 -0.000) 10.750 4.450 ( -28.726 -17.726 -0.000) 33.755 5.161 ( 22.901 12.631 0.000) 26.154 5.209 ( 11.396 10.641 0.000) 15.592 5.422 ( -0.194 -5.383 -0.000) 5.386 5.466 ( -10.047 11.157 0.000) 15.014 5.649 ( -8.396 13.920 -0.000) 16.256 5.658 ( -7.694 10.187 0.000) 12.766 6.498 ( 10.928 3.444 0.000) 11.457 6.636 ( -4.321 1.213 -0.000) 4.488 6.853 ( 12.287 1.272 -0.000) 12.353 7.080 ( -10.724 -2.626 -0.000) 11.041 7.314 ( 9.832 5.989 0.000) 11.512 7.526 ( -10.073 3.945 -0.000) 10.818 7.955 ( 0.606 -3.684 -0.000) 3.733 7.995 ( -3.323 -3.405 -0.000) 4.757 8.173 ( -1.569 -4.307 -0.000) 4.584 8.175 ( -1.721 -4.654 0.000) 4.962 8.297 ( 2.274 9.319 -0.000) 9.592 8.444 ( -11.749 9.745 -0.000) 15.265 9.692 ( 12.297 -6.991 0.000) 14.145 9.836 ( 7.388 3.216 -0.000) 8.058 10.004 ( -10.414 -12.497 -0.000) 16.267 10.048 ( -4.914 -5.683 0.000) 7.513 11.207 ( 1.108 2.196 -0.000) 2.460 11.229 ( -1.511 2.712 0.000) 3.104 12.747 ( 7.968 4.997 0.000) 9.405 12.944 ( -11.341 8.795 0.000) 14.352 14.543 ( 8.642 4.188 0.000) 9.603 14.679 ( -4.557 6.169 0.000) 7.670 15.264 ( 8.928 3.741 -0.000) 9.680 15.445 ( -8.151 3.615 -0.000) 8.917 15.663 ( -0.286 1.839 -0.000) 1.861 15.689 ( -3.433 -7.360 0.000) 8.121 15.851 ( 0.766 -5.781 0.000) 5.831 15.967 ( -9.116 0.060 0.000) 9.116 16.448 ( -0.526 3.342 0.000) 3.383 16.521 ( -8.256 7.148 0.000) 10.921 18.311 ( 5.904 -15.954 0.000) 17.011 18.429 ( -6.191 -13.562 0.000) 14.908 19.437 ( 8.128 -5.557 -0.000) 9.846 19.453 ( 14.444 -14.247 0.000) 20.288 19.592 ( -6.717 -4.751 -0.000) 8.227 19.752 ( -14.840 -12.702 0.000) 19.534 21.799 ( 1.775 4.278 -0.000) 4.632 21.808 ( 0.820 4.698 0.000) 4.769 22.404 ( 9.266 -1.617 0.000) 9.406 22.571 ( -6.381 -0.471 0.000) 6.399 22.668 ( 4.791 0.788 0.000) 4.856 22.776 ( -4.838 1.638 0.000) 5.107 ======================= Grid point 435 (79/84) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 8.152 8.152 0.000) 11.528 2.918 ( 8.201 8.201 -0.000) 11.598 4.184 ( -4.960 -4.960 0.000) 7.015 4.277 ( 16.770 16.770 0.000) 23.716 4.363 ( 3.066 3.066 0.000) 4.336 4.513 ( 16.904 16.904 -0.000) 23.906 4.968 ( 7.617 7.617 0.000) 10.772 5.121 ( -20.126 -20.126 -0.000) 28.463 5.623 ( -18.400 -18.400 -0.000) 26.022 5.657 ( 14.599 14.599 -0.000) 20.647 5.675 ( 11.209 11.209 -0.000) 15.852 5.932 ( 7.512 7.512 0.000) 10.624 6.183 ( 7.679 7.679 -0.000) 10.860 6.477 ( 14.010 14.010 -0.000) 19.813 6.901 ( -9.948 -9.948 0.000) 14.069 7.257 ( -8.441 -8.441 -0.000) 11.937 7.267 ( 4.289 4.289 -0.000) 6.066 7.711 ( 0.424 0.424 -0.000) 0.600 7.944 ( -3.527 -3.527 -0.000) 4.987 8.119 ( -4.372 -4.372 -0.000) 6.183 8.226 ( -6.201 -6.201 -0.000) 8.769 8.244 ( -5.025 -5.025 0.000) 7.107 8.477 ( -1.968 -1.968 -0.000) 2.783 9.097 ( -8.360 -8.360 -0.000) 11.823 9.139 ( 4.189 4.189 -0.000) 5.924 9.480 ( 11.477 11.477 0.000) 16.231 9.960 ( 0.609 0.609 -0.000) 0.861 10.343 ( -13.714 -13.714 0.000) 19.394 11.160 ( 3.527 3.527 -0.000) 4.988 11.353 ( -1.115 -1.115 0.000) 1.577 12.617 ( 1.043 1.043 0.000) 1.475 13.435 ( 1.049 1.049 0.000) 1.483 14.252 ( 3.684 3.684 -0.000) 5.210 14.784 ( 3.756 3.756 -0.000) 5.312 15.061 ( 3.707 3.707 -0.000) 5.242 15.505 ( -2.538 -2.538 -0.000) 3.590 15.847 ( -14.945 -14.945 0.000) 21.135 15.907 ( -9.972 -9.972 0.000) 14.102 16.009 ( 2.868 2.868 0.000) 4.056 16.265 ( -4.186 -4.186 0.000) 5.920 16.583 ( -7.429 -7.429 -0.000) 10.506 17.215 ( -9.836 -9.836 0.000) 13.910 17.795 ( -1.195 -1.195 0.000) 1.690 18.538 ( -10.317 -10.317 -0.000) 14.591 18.854 ( 0.920 0.920 0.000) 1.301 19.121 ( 2.453 2.453 0.000) 3.469 19.713 ( -4.116 -4.116 -0.000) 5.820 20.060 ( -13.743 -13.743 0.000) 19.435 21.720 ( 6.043 6.043 -0.000) 8.546 21.788 ( 4.635 4.635 0.000) 6.555 22.104 ( 5.586 5.586 0.000) 7.899 22.483 ( 4.890 4.890 0.000) 6.915 22.789 ( -4.498 -4.498 0.000) 6.361 22.894 ( -0.053 -0.053 0.000) 0.075 ======================= Grid point 437 (80/84) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 19.836 -5.139 0.000) 20.491 3.168 ( 16.805 -2.594 -0.000) 17.004 4.102 ( -3.003 -6.144 0.000) 6.838 4.274 ( -6.423 -6.692 -0.000) 9.276 4.473 ( -2.065 0.323 0.000) 2.090 4.612 ( -24.170 -19.972 -0.000) 31.354 5.011 ( 21.523 17.881 0.000) 27.981 5.181 ( 13.093 11.797 0.000) 17.624 5.329 ( -5.668 -7.869 -0.000) 9.698 5.793 ( -0.157 10.607 -0.000) 10.608 5.918 ( 9.243 14.371 -0.000) 17.087 6.019 ( -0.867 8.573 0.000) 8.617 6.369 ( 11.943 8.982 -0.000) 14.943 6.648 ( 0.132 -3.491 -0.000) 3.493 6.788 ( 2.658 6.115 0.000) 6.668 7.129 ( -5.136 -5.610 -0.000) 7.606 7.338 ( 3.724 6.838 -0.000) 7.786 7.683 ( -2.964 -0.595 -0.000) 3.023 7.900 ( -1.337 -2.648 -0.000) 2.966 8.018 ( -5.588 -3.790 -0.000) 6.751 8.116 ( -4.384 -6.885 -0.000) 8.163 8.144 ( -4.744 -5.046 0.000) 6.926 8.421 ( -2.576 1.304 -0.000) 2.887 8.826 ( -14.197 1.186 -0.000) 14.247 9.305 ( 9.375 -7.072 -0.000) 11.743 9.721 ( 11.850 8.306 -0.000) 14.471 10.000 ( 2.256 -0.909 0.000) 2.432 10.060 ( -14.482 -11.447 0.000) 18.460 11.207 ( 1.461 1.025 -0.000) 1.785 11.311 ( -2.704 0.328 0.000) 2.724 12.701 ( 7.325 6.034 0.000) 9.490 13.367 ( -7.808 9.036 0.000) 11.942 14.392 ( 9.971 1.746 0.000) 10.123 14.834 ( 0.774 5.036 0.000) 5.095 15.188 ( 8.625 6.561 -0.000) 10.837 15.487 ( -0.729 -2.352 -0.000) 2.462 15.592 ( -9.847 -12.948 0.000) 16.267 15.729 ( -6.744 -8.356 0.000) 10.738 15.978 ( -5.216 9.401 0.000) 10.752 16.161 ( -6.152 0.332 0.000) 6.161 16.471 ( -2.913 -4.619 0.000) 5.461 16.911 ( -17.032 1.321 0.000) 17.083 17.875 ( 6.366 -11.505 0.000) 13.149 18.334 ( -9.773 -11.784 -0.000) 15.309 18.956 ( 8.615 -7.814 0.000) 11.631 19.210 ( 5.953 -1.369 0.000) 6.109 19.620 ( -5.362 -4.636 -0.000) 7.088 19.763 ( -15.433 -15.771 0.000) 22.065 21.820 ( 3.979 4.104 -0.000) 5.716 21.863 ( 2.718 4.199 0.000) 5.002 22.229 ( 6.910 1.729 0.000) 7.123 22.586 ( 5.421 3.391 0.000) 6.394 22.676 ( -6.713 -4.136 0.000) 7.884 22.867 ( -2.596 -0.176 0.000) 2.601 ======================= Grid point 439 (81/84) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 23.565 -11.891 0.000) 26.396 3.613 ( 26.189 -13.825 -0.000) 29.614 4.058 ( -5.456 -8.030 -0.000) 9.708 4.080 ( -25.655 -17.705 0.000) 31.172 4.162 ( -6.003 -8.447 0.000) 10.362 4.179 ( -18.286 -14.990 -0.000) 23.645 5.400 ( 13.788 11.702 -0.000) 18.084 5.412 ( 9.164 4.761 0.000) 10.327 5.467 ( 13.490 14.507 0.000) 19.810 5.692 ( -8.929 12.057 0.000) 15.003 5.920 ( -6.005 13.456 -0.000) 14.736 5.942 ( -5.614 15.280 0.000) 16.278 6.603 ( 9.438 6.631 0.000) 11.534 6.669 ( 2.680 1.119 -0.000) 2.904 6.868 ( 3.879 1.021 -0.000) 4.011 7.001 ( -8.102 -3.915 -0.000) 8.999 7.452 ( 7.507 5.993 -0.000) 9.606 7.596 ( -6.026 2.223 -0.000) 6.423 7.883 ( 0.007 -3.422 -0.000) 3.422 7.919 ( -3.713 -4.019 -0.000) 5.472 8.059 ( -1.261 -6.682 -0.000) 6.800 8.070 ( -2.338 -5.791 0.000) 6.245 8.423 ( 3.689 3.000 -0.000) 4.755 8.571 ( -10.740 2.619 -0.000) 11.054 9.515 ( 11.882 -8.504 -0.000) 14.611 9.774 ( -13.830 -9.681 0.000) 16.881 9.923 ( 7.588 4.718 -0.000) 8.935 10.014 ( -1.548 0.873 0.000) 1.777 11.229 ( 1.027 0.182 -0.000) 1.043 11.259 ( -2.187 0.510 0.000) 2.245 12.898 ( 11.957 10.099 0.000) 15.651 13.152 ( -12.772 11.852 0.000) 17.424 14.613 ( 11.184 2.462 0.000) 11.452 14.790 ( -5.690 4.977 0.000) 7.560 15.369 ( 7.000 3.214 -0.000) 7.703 15.434 ( -3.292 -9.494 0.000) 10.049 15.485 ( 1.081 -7.912 -0.000) 7.986 15.625 ( -7.074 2.235 0.000) 7.419 15.911 ( 1.901 8.137 0.000) 8.356 16.025 ( -7.281 4.318 0.000) 8.466 16.474 ( 3.355 -0.898 0.000) 3.473 16.618 ( -11.359 1.967 0.000) 11.528 18.009 ( 6.997 -13.398 0.000) 15.115 18.157 ( -8.053 -13.046 0.000) 15.332 19.169 ( 12.234 -12.928 0.000) 17.799 19.331 ( 4.027 -5.154 0.000) 6.541 19.474 ( -11.565 -13.990 -0.000) 18.151 19.501 ( -6.305 -4.708 0.000) 7.869 21.878 ( 1.859 3.533 -0.000) 3.993 21.893 ( 0.348 3.700 0.000) 3.717 22.375 ( 7.684 -1.240 0.000) 7.784 22.530 ( -7.728 -3.158 0.000) 8.348 22.695 ( 5.408 1.533 0.000) 5.621 22.795 ( -4.486 0.242 0.000) 4.493 ======================= Grid point 459 (82/84) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 6.005 6.005 0.000) 8.492 3.193 ( 5.401 5.401 -0.000) 7.638 3.993 ( -4.293 -4.293 0.000) 6.071 4.122 ( -9.496 -9.496 -0.000) 13.429 4.180 ( -20.759 -20.759 -0.000) 29.357 4.247 ( -20.446 -20.446 -0.000) 28.915 5.352 ( 9.355 9.355 -0.000) 13.230 5.369 ( 16.857 16.857 0.000) 23.840 5.472 ( 15.173 15.173 0.000) 21.458 5.952 ( 3.582 3.582 -0.000) 5.066 6.112 ( 1.971 1.971 0.000) 2.787 6.206 ( 12.509 12.509 -0.000) 17.691 6.550 ( -3.925 -3.925 -0.000) 5.550 6.565 ( 10.158 10.158 -0.000) 14.366 6.896 ( 3.370 3.370 0.000) 4.766 7.046 ( -3.810 -3.810 -0.000) 5.387 7.445 ( 4.266 4.266 -0.000) 6.033 7.652 ( -2.041 -2.041 -0.000) 2.887 7.855 ( -2.183 -2.183 -0.000) 3.087 7.935 ( -4.605 -4.605 -0.000) 6.513 7.984 ( -5.497 -5.497 -0.000) 7.774 8.043 ( -4.936 -4.936 0.000) 6.980 8.415 ( -0.852 -0.852 -0.000) 1.205 8.738 ( -8.985 -8.985 0.000) 12.706 9.272 ( 4.005 4.005 -0.000) 5.663 9.836 ( -11.046 -11.046 0.000) 15.621 9.891 ( 8.000 8.000 -0.000) 11.314 10.015 ( 1.724 1.724 0.000) 2.438 11.216 ( 0.157 0.157 -0.000) 0.222 11.296 ( -1.642 -1.642 0.000) 2.322 12.878 ( 11.446 11.446 0.000) 16.187 13.485 ( 1.326 1.326 0.000) 1.875 14.452 ( 5.369 5.369 0.000) 7.592 14.916 ( 2.719 2.719 0.000) 3.845 15.314 ( -2.538 -2.538 0.000) 3.590 15.334 ( -11.970 -11.970 -0.000) 16.929 15.411 ( 3.617 3.617 -0.000) 5.115 15.693 ( 3.763 3.763 0.000) 5.322 16.100 ( 1.671 1.671 0.000) 2.363 16.152 ( -1.308 -1.308 0.000) 1.849 16.380 ( -2.695 -2.695 0.000) 3.811 16.813 ( -10.173 -10.173 0.000) 14.387 17.759 ( -0.624 -0.624 0.000) 0.882 18.111 ( -10.319 -10.319 -0.000) 14.593 18.884 ( 0.566 0.566 0.000) 0.801 19.222 ( 2.386 2.386 0.000) 3.374 19.447 ( -15.332 -15.332 -0.000) 21.683 19.520 ( -5.347 -5.347 0.000) 7.562 21.891 ( 2.952 2.952 -0.000) 4.174 21.927 ( 2.206 2.206 0.000) 3.120 22.279 ( 3.237 3.237 0.000) 4.578 22.572 ( -5.389 -5.389 0.000) 7.621 22.657 ( 3.128 3.128 0.000) 4.424 22.843 ( -2.160 -2.160 0.000) 3.055 ======================= Grid point 461 (83/84) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 16.909 -8.336 -0.000) 18.852 3.387 ( 13.947 -6.422 0.000) 15.354 3.734 ( -20.311 -16.213 -0.000) 25.989 3.789 ( -22.935 -18.018 0.000) 29.166 3.952 ( -0.086 -6.541 0.000) 6.542 4.003 ( -4.984 -7.322 -0.000) 8.858 5.560 ( 9.319 8.729 -0.000) 12.768 5.620 ( 5.802 9.746 0.000) 11.342 5.756 ( 12.055 13.533 0.000) 18.123 5.922 ( -5.139 9.914 0.000) 11.167 6.144 ( 2.262 9.118 -0.000) 9.395 6.249 ( -6.522 15.229 0.000) 16.567 6.651 ( 12.230 -3.192 -0.000) 12.639 6.748 ( 6.818 7.492 -0.000) 10.129 6.903 ( -2.566 2.160 -0.000) 3.355 6.927 ( -8.127 -4.100 -0.000) 9.102 7.531 ( 4.573 2.156 -0.000) 5.056 7.608 ( -2.743 -0.733 -0.000) 2.839 7.819 ( -0.853 -2.961 -0.000) 3.081 7.844 ( -3.504 -3.160 0.000) 4.718 7.926 ( -0.528 -6.239 -0.000) 6.261 7.956 ( -3.398 -5.283 0.000) 6.281 8.430 ( 3.130 -1.444 -0.000) 3.447 8.549 ( -8.535 -4.155 0.000) 9.492 9.415 ( 9.353 -1.277 -0.000) 9.439 9.619 ( -10.762 -6.062 0.000) 12.352 10.013 ( 3.836 3.884 0.000) 5.459 10.043 ( 0.487 1.598 0.000) 1.670 11.225 ( 0.955 -0.274 -0.000) 0.993 11.256 ( -2.043 -0.648 0.000) 2.143 13.138 ( 13.964 13.557 0.000) 19.462 13.391 ( -10.087 11.109 0.000) 15.005 14.631 ( 12.123 -0.669 0.000) 12.141 14.873 ( -9.272 2.929 0.000) 9.724 15.156 ( -2.506 -15.292 0.000) 15.496 15.195 ( -4.780 -10.456 -0.000) 11.497 15.611 ( 10.879 11.139 -0.000) 15.570 15.754 ( -1.137 8.446 0.000) 8.522 16.068 ( -1.159 6.650 0.000) 6.750 16.107 ( -3.140 3.430 0.000) 4.651 16.413 ( 5.486 -4.819 0.000) 7.302 16.582 ( -11.182 -5.452 0.000) 12.440 17.808 ( 4.689 -6.546 0.000) 8.053 17.931 ( -7.682 -9.327 0.000) 12.083 18.967 ( 7.389 -7.013 0.000) 10.187 19.163 ( -11.909 -11.503 0.000) 16.557 19.304 ( 4.588 -2.572 0.000) 5.260 19.410 ( -5.654 -4.337 0.000) 7.126 21.936 ( 1.550 2.266 -0.000) 2.745 21.950 ( 0.154 2.008 0.000) 2.014 22.357 ( 4.644 -0.444 0.000) 4.665 22.460 ( -5.584 -3.560 0.000) 6.623 22.722 ( 3.352 1.156 0.000) 3.545 22.788 ( -3.182 -0.862 0.000) 3.297 ======================= Grid point 483 (84/84) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 2.208 2.208 -0.000) 3.123 3.338 ( 1.830 1.830 0.000) 2.588 3.463 ( -10.422 -10.422 0.000) 14.739 3.469 ( -12.752 -12.752 -0.000) 18.034 3.869 ( -1.695 -1.695 0.000) 2.396 3.889 ( -3.668 -3.668 0.000) 5.187 5.713 ( 5.629 5.629 -0.000) 7.961 5.750 ( 2.467 2.467 0.000) 3.489 5.970 ( 7.296 7.296 0.000) 10.318 6.035 ( 0.955 0.955 0.000) 1.350 6.325 ( 9.677 9.677 -0.000) 13.685 6.479 ( -0.368 -0.368 -0.000) 0.520 6.599 ( 6.135 6.135 -0.000) 8.676 6.801 ( -8.739 -8.739 -0.000) 12.360 6.880 ( 4.649 4.649 0.000) 6.574 6.929 ( -0.201 -0.201 0.000) 0.284 7.557 ( 0.997 0.997 -0.000) 1.409 7.582 ( -1.511 -1.511 0.000) 2.137 7.780 ( -0.456 -0.456 -0.000) 0.645 7.801 ( -1.713 -1.713 -0.000) 2.422 7.837 ( -1.546 -1.546 0.000) 2.186 7.867 ( -3.513 -3.513 0.000) 4.967 8.408 ( 0.168 0.168 -0.000) 0.237 8.454 ( -4.264 -4.264 0.000) 6.030 9.442 ( 3.158 3.158 -0.000) 4.466 9.519 ( -4.334 -4.334 0.000) 6.129 10.065 ( 1.237 1.237 0.000) 1.750 10.068 ( 0.725 0.725 -0.000) 1.025 11.226 ( 0.400 0.400 0.000) 0.566 11.240 ( -0.901 -0.901 0.000) 1.275 13.402 ( 11.593 11.593 0.000) 16.395 13.526 ( 0.613 0.613 0.000) 0.867 14.633 ( 3.184 3.184 0.000) 4.502 14.797 ( -11.470 -11.470 0.000) 16.220 14.992 ( 0.995 0.995 0.000) 1.408 15.049 ( -4.500 -4.500 0.000) 6.364 15.829 ( 9.443 9.443 -0.000) 13.355 15.900 ( 3.898 3.898 0.000) 5.513 16.143 ( 0.519 0.519 0.000) 0.734 16.146 ( 0.325 0.325 0.000) 0.460 16.341 ( 0.064 0.064 0.000) 0.091 16.435 ( -7.847 -7.847 0.000) 11.097 17.744 ( -0.165 -0.165 0.000) 0.233 17.791 ( -4.762 -4.762 0.000) 6.734 18.899 ( 0.183 0.183 0.000) 0.258 18.971 ( -6.984 -6.984 0.000) 9.877 19.293 ( 1.001 1.001 0.000) 1.416 19.335 ( -3.048 -3.048 0.000) 4.311 21.968 ( 0.968 0.968 -0.000) 1.370 21.974 ( 0.402 0.402 0.000) 0.569 22.362 ( 0.975 0.975 0.000) 1.379 22.398 ( -2.583 -2.583 0.000) 3.653 22.743 ( 1.084 1.084 0.000) 1.533 22.766 ( -1.188 -1.188 0.000) 1.680 =================== 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 3/39204 10.0 1248.299 1248.299 3754.619 -0.000 -0.000 0.000 3/39204 20.0 1697.391 1697.391 2360.491 -0.000 -0.000 0.000 3/39204 30.0 910.085 910.085 1055.770 0.000 -0.000 0.000 3/39204 40.0 487.177 487.177 540.164 0.000 -0.000 0.000 3/39204 50.0 304.212 304.212 323.013 0.000 -0.000 0.000 3/39204 60.0 213.364 213.364 219.544 0.000 0.000 0.000 3/39204 70.0 161.185 161.185 162.953 0.000 0.000 0.000 3/39204 80.0 127.865 127.865 128.220 0.000 0.000 0.000 3/39204 90.0 104.941 104.941 104.942 0.000 0.000 0.000 3/39204 100.0 88.313 88.313 88.303 0.000 0.000 0.000 3/39204 110.0 75.772 75.772 75.845 0.000 0.000 0.000 3/39204 120.0 66.032 66.032 66.194 0.000 0.000 0.000 3/39204 130.0 58.291 58.291 58.524 0.000 0.000 0.000 3/39204 140.0 52.020 52.020 52.305 0.000 0.000 0.000 3/39204 150.0 46.862 46.862 47.179 0.000 0.000 0.000 3/39204 160.0 42.561 42.561 42.897 0.000 0.000 0.000 3/39204 170.0 38.932 38.932 39.278 0.000 0.000 0.000 3/39204 180.0 35.839 35.839 36.187 0.000 0.000 0.000 3/39204 190.0 33.178 33.178 33.522 0.000 0.000 0.000 3/39204 200.0 30.870 30.870 31.207 0.000 0.000 0.000 3/39204 210.0 28.852 28.852 29.179 0.000 0.000 0.000 3/39204 220.0 27.075 27.075 27.392 0.000 0.000 0.000 3/39204 230.0 25.501 25.501 25.806 0.000 0.000 0.000 3/39204 240.0 24.098 24.098 24.392 0.000 0.000 0.000 3/39204 250.0 22.840 22.840 23.122 0.000 0.000 0.000 3/39204 260.0 21.708 21.708 21.978 0.000 0.000 0.000 3/39204 270.0 20.683 20.683 20.942 0.000 0.000 0.000 3/39204 280.0 19.751 19.751 19.999 0.000 0.000 0.000 3/39204 290.0 18.901 18.901 19.139 0.000 0.000 0.000 3/39204 300.0 18.123 18.123 18.350 0.000 0.000 0.000 3/39204 310.0 17.407 17.407 17.625 0.000 0.000 0.000 3/39204 320.0 16.747 16.747 16.955 0.000 0.000 0.000 3/39204 330.0 16.136 16.136 16.336 0.000 0.000 0.000 3/39204 340.0 15.570 15.570 15.762 0.000 0.000 0.000 3/39204 350.0 15.043 15.043 15.227 0.000 0.000 0.000 3/39204 360.0 14.551 14.551 14.728 0.000 0.000 0.000 3/39204 370.0 14.092 14.092 14.262 0.000 0.000 0.000 3/39204 380.0 13.661 13.661 13.825 0.000 0.000 0.000 3/39204 390.0 13.257 13.257 13.415 0.000 0.000 0.000 3/39204 400.0 12.877 12.877 13.029 0.000 0.000 0.000 3/39204 410.0 12.519 12.519 12.666 0.000 0.000 0.000 3/39204 420.0 12.181 12.181 12.322 0.000 0.000 0.000 3/39204 430.0 11.861 11.861 11.998 0.000 0.000 0.000 3/39204 440.0 11.558 11.558 11.690 0.000 0.000 0.000 3/39204 450.0 11.271 11.271 11.399 0.000 0.000 0.000 3/39204 460.0 10.998 10.998 11.122 0.000 0.000 0.000 3/39204 470.0 10.738 10.738 10.858 0.000 0.000 0.000 3/39204 480.0 10.491 10.491 10.607 0.000 0.000 0.000 3/39204 490.0 10.255 10.255 10.368 0.000 0.000 0.000 3/39204 500.0 10.030 10.030 10.140 0.000 0.000 0.000 3/39204 510.0 9.815 9.815 9.922 0.000 0.000 0.000 3/39204 520.0 9.609 9.609 9.713 0.000 0.000 0.000 3/39204 530.0 9.412 9.412 9.513 0.000 0.000 0.000 3/39204 540.0 9.223 9.223 9.321 0.000 0.000 0.000 3/39204 550.0 9.042 9.042 9.138 0.000 0.000 0.000 3/39204 560.0 8.868 8.868 8.961 0.000 0.000 0.000 3/39204 570.0 8.700 8.700 8.791 0.000 0.000 0.000 3/39204 580.0 8.539 8.539 8.628 0.000 0.000 0.000 3/39204 590.0 8.384 8.384 8.471 0.000 0.000 0.000 3/39204 600.0 8.235 8.235 8.320 0.000 0.000 0.000 3/39204 610.0 8.091 8.091 8.174 0.000 0.000 0.000 3/39204 620.0 7.952 7.952 8.033 0.000 0.000 0.000 3/39204 630.0 7.818 7.818 7.897 0.000 0.000 0.000 3/39204 640.0 7.689 7.689 7.766 0.000 0.000 0.000 3/39204 650.0 7.564 7.564 7.639 0.000 0.000 0.000 3/39204 660.0 7.442 7.442 7.517 0.000 0.000 0.000 3/39204 670.0 7.325 7.325 7.398 0.000 0.000 0.000 3/39204 680.0 7.212 7.212 7.283 0.000 0.000 0.000 3/39204 690.0 7.102 7.102 7.172 0.000 0.000 0.000 3/39204 700.0 6.995 6.995 7.064 0.000 0.000 0.000 3/39204 710.0 6.892 6.892 6.959 0.000 0.000 0.000 3/39204 720.0 6.792 6.792 6.858 0.000 0.000 0.000 3/39204 730.0 6.694 6.694 6.759 0.000 0.000 0.000 3/39204 740.0 6.600 6.600 6.664 0.000 0.000 0.000 3/39204 750.0 6.508 6.508 6.571 0.000 0.000 0.000 3/39204 760.0 6.419 6.419 6.480 0.000 0.000 0.000 3/39204 770.0 6.332 6.332 6.393 0.000 0.000 0.000 3/39204 780.0 6.248 6.248 6.307 0.000 0.000 0.000 3/39204 790.0 6.165 6.165 6.224 0.000 0.000 0.000 3/39204 800.0 6.085 6.085 6.143 0.000 0.000 0.000 3/39204 810.0 6.008 6.008 6.064 0.000 0.000 0.000 3/39204 820.0 5.932 5.932 5.987 0.000 0.000 0.000 3/39204 830.0 5.858 5.858 5.913 0.000 0.000 0.000 3/39204 840.0 5.786 5.786 5.840 0.000 0.000 0.000 3/39204 850.0 5.715 5.715 5.768 0.000 0.000 0.000 3/39204 860.0 5.647 5.647 5.699 0.000 0.000 0.000 3/39204 870.0 5.580 5.580 5.631 0.000 0.000 0.000 3/39204 880.0 5.514 5.514 5.565 0.000 0.000 0.000 3/39204 890.0 5.450 5.450 5.501 0.000 0.000 0.000 3/39204 900.0 5.388 5.388 5.438 0.000 0.000 0.000 3/39204 910.0 5.327 5.327 5.376 0.000 0.000 0.000 3/39204 920.0 5.268 5.268 5.316 0.000 0.000 0.000 3/39204 930.0 5.209 5.209 5.257 0.000 0.000 0.000 3/39204 940.0 5.152 5.152 5.199 0.000 0.000 0.000 3/39204 950.0 5.097 5.097 5.143 0.000 0.000 0.000 3/39204 960.0 5.042 5.042 5.088 0.000 0.000 0.000 3/39204 970.0 4.989 4.989 5.034 0.000 0.000 0.000 3/39204 980.0 4.937 4.937 4.981 0.000 0.000 0.000 3/39204 990.0 4.886 4.886 4.930 0.000 0.000 0.000 3/39204 1000.0 4.836 4.836 4.879 0.000 0.000 0.000 3/39204 Thermal conductivity related properties were written into "kappa-m11116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:45:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|