----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:07:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.098485835000000 -7.368095995000002 0.000000000000000 b 2.098485835000000 7.368095995000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): *1 Cs 0.60586454433489 0.39413545566511 0.75000000000000 132.905 2 Cs 0.39413545566511 0.60586454433489 0.25000000000000 132.905 *3 Nd 0.86590459462489 0.13409540537511 0.93918057363009 144.242 4 Nd 0.13409540537511 0.86590459462489 0.43918057363009 144.242 5 Nd 0.13409540537511 0.86590459462489 0.06081942636991 144.242 6 Nd 0.86590459462489 0.13409540537511 0.56081942636991 144.242 *7 Cu 0.33517363108914 0.66482636891086 0.75000000000000 63.546 8 Cu 0.66482636891086 0.33517363108914 0.25000000000000 63.546 *9 Se 0.75959758829604 0.24040241170396 0.38851267335081 78.960 10 Se 0.24040241170396 0.75959758829604 0.88851267335081 78.960 11 Se 0.24040241170396 0.75959758829604 0.61148732664919 78.960 12 Se 0.75959758829604 0.24040241170396 0.11148732664919 78.960 *13 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 14 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 *15 Se 0.92230247677626 0.07769752322374 0.75000000000000 78.960 16 Se 0.07769752322374 0.92230247677626 0.25000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.196971670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.736191990000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): *1 Cs 0.00000000000000 0.39413545566511 0.75000000000000 132.905 > 1 2 Cs 0.50000000000000 0.10586454433489 0.25000000000000 132.905 > 2 3 Cs 0.50000000000000 0.89413545566511 0.75000000000000 132.905 > 1 4 Cs 0.00000000000000 0.60586454433489 0.25000000000000 132.905 > 2 *5 Nd 0.00000000000000 0.13409540537511 0.93918057363009 144.242 > 3 6 Nd 0.50000000000000 0.36590459462489 0.43918057363009 144.242 > 4 7 Nd 0.50000000000000 0.36590459462489 0.06081942636991 144.242 > 5 8 Nd 0.00000000000000 0.13409540537511 0.56081942636991 144.242 > 6 9 Nd 0.50000000000000 0.63409540537511 0.93918057363009 144.242 > 3 10 Nd 0.00000000000000 0.86590459462489 0.43918057363009 144.242 > 4 11 Nd 0.00000000000000 0.86590459462489 0.06081942636991 144.242 > 5 12 Nd 0.50000000000000 0.63409540537511 0.56081942636991 144.242 > 6 *13 Cu 0.50000000000000 0.16482636891086 0.75000000000000 63.546 > 7 14 Cu 0.00000000000000 0.33517363108914 0.25000000000000 63.546 > 8 15 Cu 0.00000000000000 0.66482636891086 0.75000000000000 63.546 > 7 16 Cu 0.50000000000000 0.83517363108914 0.25000000000000 63.546 > 8 *17 Se 0.00000000000000 0.24040241170396 0.38851267335081 78.960 > 9 18 Se 0.50000000000000 0.25959758829604 0.88851267335081 78.960 > 10 19 Se 0.50000000000000 0.25959758829604 0.61148732664919 78.960 > 11 20 Se 0.00000000000000 0.24040241170396 0.11148732664919 78.960 > 12 *21 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 13 22 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 14 *23 Se 0.00000000000000 0.07769752322374 0.75000000000000 78.960 > 15 24 Se 0.50000000000000 0.42230247677626 0.25000000000000 78.960 > 16 25 Se 0.50000000000000 0.74040241170396 0.38851267335081 78.960 > 9 26 Se 0.00000000000000 0.75959758829604 0.88851267335081 78.960 > 10 27 Se 0.00000000000000 0.75959758829604 0.61148732664919 78.960 > 11 28 Se 0.50000000000000 0.74040241170396 0.11148732664919 78.960 > 12 29 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 13 30 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 14 31 Se 0.50000000000000 0.57769752322374 0.75000000000000 78.960 > 15 32 Se 0.00000000000000 0.92230247677626 0.25000000000000 78.960 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.787886680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.736191990000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): *1 Cs 0.00000000000000 0.39413545566511 0.75000000000000 132.905 > 1 2 Cs 0.25000000000000 0.39413545566511 0.75000000000000 132.905 > 1 3 Cs 0.50000000000000 0.39413545566511 0.75000000000000 132.905 > 1 4 Cs 0.75000000000000 0.39413545566511 0.75000000000000 132.905 > 1 5 Cs 0.12500000000000 0.10586454433489 0.25000000000000 132.905 > 2 6 Cs 0.37500000000000 0.10586454433489 0.25000000000000 132.905 > 2 7 Cs 0.62500000000000 0.10586454433489 0.25000000000000 132.905 > 2 8 Cs 0.87500000000000 0.10586454433489 0.25000000000000 132.905 > 2 9 Cs 0.12500000000000 0.89413545566511 0.75000000000000 132.905 > 1 10 Cs 0.37500000000000 0.89413545566511 0.75000000000000 132.905 > 1 11 Cs 0.62500000000000 0.89413545566511 0.75000000000000 132.905 > 1 12 Cs 0.87500000000000 0.89413545566511 0.75000000000000 132.905 > 1 13 Cs 0.00000000000000 0.60586454433489 0.25000000000000 132.905 > 2 14 Cs 0.25000000000000 0.60586454433489 0.25000000000000 132.905 > 2 15 Cs 0.50000000000000 0.60586454433489 0.25000000000000 132.905 > 2 16 Cs 0.75000000000000 0.60586454433489 0.25000000000000 132.905 > 2 *17 Nd 0.00000000000000 0.13409540537511 0.93918057363009 144.242 > 3 18 Nd 0.25000000000000 0.13409540537511 0.93918057363009 144.242 > 3 19 Nd 0.50000000000000 0.13409540537511 0.93918057363009 144.242 > 3 20 Nd 0.75000000000000 0.13409540537511 0.93918057363009 144.242 > 3 21 Nd 0.12500000000000 0.36590459462489 0.43918057363009 144.242 > 4 22 Nd 0.37500000000000 0.36590459462489 0.43918057363009 144.242 > 4 23 Nd 0.62500000000000 0.36590459462489 0.43918057363009 144.242 > 4 24 Nd 0.87500000000000 0.36590459462489 0.43918057363009 144.242 > 4 25 Nd 0.12500000000000 0.36590459462489 0.06081942636991 144.242 > 5 26 Nd 0.37500000000000 0.36590459462489 0.06081942636991 144.242 > 5 27 Nd 0.62500000000000 0.36590459462489 0.06081942636991 144.242 > 5 28 Nd 0.87500000000000 0.36590459462489 0.06081942636991 144.242 > 5 29 Nd 0.00000000000000 0.13409540537511 0.56081942636991 144.242 > 6 30 Nd 0.25000000000000 0.13409540537511 0.56081942636991 144.242 > 6 31 Nd 0.50000000000000 0.13409540537511 0.56081942636991 144.242 > 6 32 Nd 0.75000000000000 0.13409540537511 0.56081942636991 144.242 > 6 33 Nd 0.12500000000000 0.63409540537511 0.93918057363009 144.242 > 3 34 Nd 0.37500000000000 0.63409540537511 0.93918057363009 144.242 > 3 35 Nd 0.62500000000000 0.63409540537511 0.93918057363009 144.242 > 3 36 Nd 0.87500000000000 0.63409540537511 0.93918057363009 144.242 > 3 37 Nd 0.00000000000000 0.86590459462489 0.43918057363009 144.242 > 4 38 Nd 0.25000000000000 0.86590459462489 0.43918057363009 144.242 > 4 39 Nd 0.50000000000000 0.86590459462489 0.43918057363009 144.242 > 4 40 Nd 0.75000000000000 0.86590459462489 0.43918057363009 144.242 > 4 41 Nd 0.00000000000000 0.86590459462489 0.06081942636991 144.242 > 5 42 Nd 0.25000000000000 0.86590459462489 0.06081942636991 144.242 > 5 43 Nd 0.50000000000000 0.86590459462489 0.06081942636991 144.242 > 5 44 Nd 0.75000000000000 0.86590459462489 0.06081942636991 144.242 > 5 45 Nd 0.12500000000000 0.63409540537511 0.56081942636991 144.242 > 6 46 Nd 0.37500000000000 0.63409540537511 0.56081942636991 144.242 > 6 47 Nd 0.62500000000000 0.63409540537511 0.56081942636991 144.242 > 6 48 Nd 0.87500000000000 0.63409540537511 0.56081942636991 144.242 > 6 *49 Cu 0.12500000000000 0.16482636891086 0.75000000000000 63.546 > 7 50 Cu 0.37500000000000 0.16482636891086 0.75000000000000 63.546 > 7 51 Cu 0.62500000000000 0.16482636891086 0.75000000000000 63.546 > 7 52 Cu 0.87500000000000 0.16482636891086 0.75000000000000 63.546 > 7 53 Cu 0.00000000000000 0.33517363108914 0.25000000000000 63.546 > 8 54 Cu 0.25000000000000 0.33517363108914 0.25000000000000 63.546 > 8 55 Cu 0.50000000000000 0.33517363108914 0.25000000000000 63.546 > 8 56 Cu 0.75000000000000 0.33517363108914 0.25000000000000 63.546 > 8 57 Cu 0.00000000000000 0.66482636891086 0.75000000000000 63.546 > 7 58 Cu 0.25000000000000 0.66482636891086 0.75000000000000 63.546 > 7 59 Cu 0.50000000000000 0.66482636891086 0.75000000000000 63.546 > 7 60 Cu 0.75000000000000 0.66482636891086 0.75000000000000 63.546 > 7 61 Cu 0.12500000000000 0.83517363108914 0.25000000000000 63.546 > 8 62 Cu 0.37500000000000 0.83517363108914 0.25000000000000 63.546 > 8 63 Cu 0.62500000000000 0.83517363108914 0.25000000000000 63.546 > 8 64 Cu 0.87500000000000 0.83517363108914 0.25000000000000 63.546 > 8 *65 Se 0.00000000000000 0.24040241170396 0.38851267335081 78.960 > 9 66 Se 0.25000000000000 0.24040241170396 0.38851267335081 78.960 > 9 67 Se 0.50000000000000 0.24040241170396 0.38851267335081 78.960 > 9 68 Se 0.75000000000000 0.24040241170396 0.38851267335081 78.960 > 9 69 Se 0.12500000000000 0.25959758829604 0.88851267335081 78.960 > 10 70 Se 0.37500000000000 0.25959758829604 0.88851267335081 78.960 > 10 71 Se 0.62500000000000 0.25959758829604 0.88851267335081 78.960 > 10 72 Se 0.87500000000000 0.25959758829604 0.88851267335081 78.960 > 10 73 Se 0.12500000000000 0.25959758829604 0.61148732664919 78.960 > 11 74 Se 0.37500000000000 0.25959758829604 0.61148732664919 78.960 > 11 75 Se 0.62500000000000 0.25959758829604 0.61148732664919 78.960 > 11 76 Se 0.87500000000000 0.25959758829604 0.61148732664919 78.960 > 11 77 Se 0.00000000000000 0.24040241170396 0.11148732664919 78.960 > 12 78 Se 0.25000000000000 0.24040241170396 0.11148732664919 78.960 > 12 79 Se 0.50000000000000 0.24040241170396 0.11148732664919 78.960 > 12 80 Se 0.75000000000000 0.24040241170396 0.11148732664919 78.960 > 12 *81 Se 0.12500000000000 0.00000000000000 0.00000000000000 78.960 > 13 82 Se 0.37500000000000 0.00000000000000 0.00000000000000 78.960 > 13 83 Se 0.62500000000000 0.00000000000000 0.00000000000000 78.960 > 13 84 Se 0.87500000000000 0.00000000000000 0.00000000000000 78.960 > 13 85 Se 0.12500000000000 0.00000000000000 0.50000000000000 78.960 > 14 86 Se 0.37500000000000 0.00000000000000 0.50000000000000 78.960 > 14 87 Se 0.62500000000000 0.00000000000000 0.50000000000000 78.960 > 14 88 Se 0.87500000000000 0.00000000000000 0.50000000000000 78.960 > 14 *89 Se 0.00000000000000 0.07769752322374 0.75000000000000 78.960 > 15 90 Se 0.25000000000000 0.07769752322374 0.75000000000000 78.960 > 15 91 Se 0.50000000000000 0.07769752322374 0.75000000000000 78.960 > 15 92 Se 0.75000000000000 0.07769752322374 0.75000000000000 78.960 > 15 93 Se 0.12500000000000 0.42230247677626 0.25000000000000 78.960 > 16 94 Se 0.37500000000000 0.42230247677626 0.25000000000000 78.960 > 16 95 Se 0.62500000000000 0.42230247677626 0.25000000000000 78.960 > 16 96 Se 0.87500000000000 0.42230247677626 0.25000000000000 78.960 > 16 97 Se 0.12500000000000 0.74040241170396 0.38851267335081 78.960 > 9 98 Se 0.37500000000000 0.74040241170396 0.38851267335081 78.960 > 9 99 Se 0.62500000000000 0.74040241170396 0.38851267335081 78.960 > 9 100 Se 0.87500000000000 0.74040241170396 0.38851267335081 78.960 > 9 101 Se 0.00000000000000 0.75959758829604 0.88851267335081 78.960 > 10 102 Se 0.25000000000000 0.75959758829604 0.88851267335081 78.960 > 10 103 Se 0.50000000000000 0.75959758829604 0.88851267335081 78.960 > 10 104 Se 0.75000000000000 0.75959758829604 0.88851267335081 78.960 > 10 105 Se 0.00000000000000 0.75959758829604 0.61148732664919 78.960 > 11 106 Se 0.25000000000000 0.75959758829604 0.61148732664919 78.960 > 11 107 Se 0.50000000000000 0.75959758829604 0.61148732664919 78.960 > 11 108 Se 0.75000000000000 0.75959758829604 0.61148732664919 78.960 > 11 109 Se 0.12500000000000 0.74040241170396 0.11148732664919 78.960 > 12 110 Se 0.37500000000000 0.74040241170396 0.11148732664919 78.960 > 12 111 Se 0.62500000000000 0.74040241170396 0.11148732664919 78.960 > 12 112 Se 0.87500000000000 0.74040241170396 0.11148732664919 78.960 > 12 113 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 13 114 Se 0.25000000000000 0.50000000000000 0.00000000000000 78.960 > 13 115 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 13 116 Se 0.75000000000000 0.50000000000000 0.00000000000000 78.960 > 13 117 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 14 118 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 14 119 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 14 120 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 14 121 Se 0.12500000000000 0.57769752322374 0.75000000000000 78.960 > 15 122 Se 0.37500000000000 0.57769752322374 0.75000000000000 78.960 > 15 123 Se 0.62500000000000 0.57769752322374 0.75000000000000 78.960 > 15 124 Se 0.87500000000000 0.57769752322374 0.75000000000000 78.960 > 15 125 Se 0.00000000000000 0.92230247677626 0.25000000000000 78.960 > 16 126 Se 0.25000000000000 0.92230247677626 0.25000000000000 78.960 > 16 127 Se 0.50000000000000 0.92230247677626 0.25000000000000 78.960 > 16 128 Se 0.75000000000000 0.92230247677626 0.25000000000000 78.960 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8916688 0.0000000 0.0000000 0.0000000 7.0254247 0.0000000 0.0000000 0.0000000 9.1648900 -------------------------- Born effective charges -------------------------- 1 Cs 1.1547723 0.0000000 0.0000000 0.0000000 1.7371383 0.0000000 0.0000000 0.0000000 1.2705061 2 Cs 1.1547723 0.0000000 0.0000000 0.0000000 1.7371383 0.0000000 0.0000000 0.0000000 1.2705061 3 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 0.0589455 0.0000000 0.3379598 4.7644047 4 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 -0.0589455 0.0000000 -0.3379598 4.7644047 5 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 0.0589455 0.0000000 0.3379598 4.7644047 6 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 -0.0589455 0.0000000 -0.3379598 4.7644047 7 Cu 0.6949043 0.0000000 0.0000000 0.0000000 0.3710221 0.0000000 0.0000000 0.0000000 0.5161654 8 Cu 0.6949043 0.0000000 0.0000000 0.0000000 0.3710221 0.0000000 0.0000000 0.0000000 0.5161654 9 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 0.4287986 0.0000000 0.7795423 -2.9699958 10 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 -0.4287986 0.0000000 -0.7795423 -2.9699958 11 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 0.4287986 0.0000000 0.7795423 -2.9699958 12 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 -0.4287986 0.0000000 -0.7795423 -2.9699958 13 Se -4.3426153 0.0000000 0.0000000 0.0000000 -3.3085326 0.9716891 0.0000000 0.8680396 -1.5720555 14 Se -4.3426153 0.0000000 0.0000000 0.0000000 -3.3085326 -0.9716891 0.0000000 -0.8680396 -1.5720555 15 Se -1.7367677 0.0000000 0.0000000 0.0000000 -1.4048779 0.0000000 0.0000000 0.0000000 -3.8034338 16 Se -1.7367677 0.0000000 0.0000000 0.0000000 -1.4048779 0.0000000 0.0000000 0.0000000 -3.8034338 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.857 Solver_block: 200 / 240 - Time: 1.887 Solver_block: 240 / 240 - Time: 0.833 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.608 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), 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 2026-01-09 04:07:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:07:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.098485835000000 -7.368095995000002 0.000000000000000 b 2.098485835000000 7.368095995000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): 1 Cs 0.60586454433489 0.39413545566511 0.75000000000000 132.905 2 Cs 0.39413545566511 0.60586454433489 0.25000000000000 132.905 3 Nd 0.86590459462489 0.13409540537511 0.93918057363009 144.242 4 Nd 0.13409540537511 0.86590459462489 0.43918057363009 144.242 5 Nd 0.13409540537511 0.86590459462489 0.06081942636991 144.242 6 Nd 0.86590459462489 0.13409540537511 0.56081942636991 144.242 7 Cu 0.33517363108914 0.66482636891086 0.75000000000000 63.546 8 Cu 0.66482636891086 0.33517363108914 0.25000000000000 63.546 9 Se 0.75959758829604 0.24040241170396 0.38851267335081 78.960 10 Se 0.24040241170396 0.75959758829604 0.88851267335081 78.960 11 Se 0.24040241170396 0.75959758829604 0.61148732664919 78.960 12 Se 0.75959758829604 0.24040241170396 0.11148732664919 78.960 13 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 14 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 15 Se 0.92230247677626 0.07769752322374 0.75000000000000 78.960 16 Se 0.07769752322374 0.92230247677626 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.787886680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.736191990000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): 1 Cs 0.00000000000000 0.39413545566511 0.75000000000000 132.905 > 1 2 Cs 0.25000000000000 0.39413545566511 0.75000000000000 132.905 > 1 3 Cs 0.50000000000000 0.39413545566511 0.75000000000000 132.905 > 1 4 Cs 0.75000000000000 0.39413545566511 0.75000000000000 132.905 > 1 5 Cs 0.12500000000000 0.10586454433489 0.25000000000000 132.905 > 5 6 Cs 0.37500000000000 0.10586454433489 0.25000000000000 132.905 > 5 7 Cs 0.62500000000000 0.10586454433489 0.25000000000000 132.905 > 5 8 Cs 0.87500000000000 0.10586454433489 0.25000000000000 132.905 > 5 9 Cs 0.12500000000000 0.89413545566511 0.75000000000000 132.905 > 1 10 Cs 0.37500000000000 0.89413545566511 0.75000000000000 132.905 > 1 11 Cs 0.62500000000000 0.89413545566511 0.75000000000000 132.905 > 1 12 Cs 0.87500000000000 0.89413545566511 0.75000000000000 132.905 > 1 13 Cs 0.00000000000000 0.60586454433489 0.25000000000000 132.905 > 5 14 Cs 0.25000000000000 0.60586454433489 0.25000000000000 132.905 > 5 15 Cs 0.50000000000000 0.60586454433489 0.25000000000000 132.905 > 5 16 Cs 0.75000000000000 0.60586454433489 0.25000000000000 132.905 > 5 17 Nd 0.00000000000000 0.13409540537511 0.93918057363009 144.242 > 17 18 Nd 0.25000000000000 0.13409540537511 0.93918057363009 144.242 > 17 19 Nd 0.50000000000000 0.13409540537511 0.93918057363009 144.242 > 17 20 Nd 0.75000000000000 0.13409540537511 0.93918057363009 144.242 > 17 21 Nd 0.12500000000000 0.36590459462489 0.43918057363009 144.242 > 21 22 Nd 0.37500000000000 0.36590459462489 0.43918057363009 144.242 > 21 23 Nd 0.62500000000000 0.36590459462489 0.43918057363009 144.242 > 21 24 Nd 0.87500000000000 0.36590459462489 0.43918057363009 144.242 > 21 25 Nd 0.12500000000000 0.36590459462489 0.06081942636991 144.242 > 25 26 Nd 0.37500000000000 0.36590459462489 0.06081942636991 144.242 > 25 27 Nd 0.62500000000000 0.36590459462489 0.06081942636991 144.242 > 25 28 Nd 0.87500000000000 0.36590459462489 0.06081942636991 144.242 > 25 29 Nd 0.00000000000000 0.13409540537511 0.56081942636991 144.242 > 29 30 Nd 0.25000000000000 0.13409540537511 0.56081942636991 144.242 > 29 31 Nd 0.50000000000000 0.13409540537511 0.56081942636991 144.242 > 29 32 Nd 0.75000000000000 0.13409540537511 0.56081942636991 144.242 > 29 33 Nd 0.12500000000000 0.63409540537511 0.93918057363009 144.242 > 17 34 Nd 0.37500000000000 0.63409540537511 0.93918057363009 144.242 > 17 35 Nd 0.62500000000000 0.63409540537511 0.93918057363009 144.242 > 17 36 Nd 0.87500000000000 0.63409540537511 0.93918057363009 144.242 > 17 37 Nd 0.00000000000000 0.86590459462489 0.43918057363009 144.242 > 21 38 Nd 0.25000000000000 0.86590459462489 0.43918057363009 144.242 > 21 39 Nd 0.50000000000000 0.86590459462489 0.43918057363009 144.242 > 21 40 Nd 0.75000000000000 0.86590459462489 0.43918057363009 144.242 > 21 41 Nd 0.00000000000000 0.86590459462489 0.06081942636991 144.242 > 25 42 Nd 0.25000000000000 0.86590459462489 0.06081942636991 144.242 > 25 43 Nd 0.50000000000000 0.86590459462489 0.06081942636991 144.242 > 25 44 Nd 0.75000000000000 0.86590459462489 0.06081942636991 144.242 > 25 45 Nd 0.12500000000000 0.63409540537511 0.56081942636991 144.242 > 29 46 Nd 0.37500000000000 0.63409540537511 0.56081942636991 144.242 > 29 47 Nd 0.62500000000000 0.63409540537511 0.56081942636991 144.242 > 29 48 Nd 0.87500000000000 0.63409540537511 0.56081942636991 144.242 > 29 49 Cu 0.12500000000000 0.16482636891086 0.75000000000000 63.546 > 49 50 Cu 0.37500000000000 0.16482636891086 0.75000000000000 63.546 > 49 51 Cu 0.62500000000000 0.16482636891086 0.75000000000000 63.546 > 49 52 Cu 0.87500000000000 0.16482636891086 0.75000000000000 63.546 > 49 53 Cu 0.00000000000000 0.33517363108914 0.25000000000000 63.546 > 53 54 Cu 0.25000000000000 0.33517363108914 0.25000000000000 63.546 > 53 55 Cu 0.50000000000000 0.33517363108914 0.25000000000000 63.546 > 53 56 Cu 0.75000000000000 0.33517363108914 0.25000000000000 63.546 > 53 57 Cu 0.00000000000000 0.66482636891086 0.75000000000000 63.546 > 49 58 Cu 0.25000000000000 0.66482636891086 0.75000000000000 63.546 > 49 59 Cu 0.50000000000000 0.66482636891086 0.75000000000000 63.546 > 49 60 Cu 0.75000000000000 0.66482636891086 0.75000000000000 63.546 > 49 61 Cu 0.12500000000000 0.83517363108914 0.25000000000000 63.546 > 53 62 Cu 0.37500000000000 0.83517363108914 0.25000000000000 63.546 > 53 63 Cu 0.62500000000000 0.83517363108914 0.25000000000000 63.546 > 53 64 Cu 0.87500000000000 0.83517363108914 0.25000000000000 63.546 > 53 65 Se 0.00000000000000 0.24040241170396 0.38851267335081 78.960 > 65 66 Se 0.25000000000000 0.24040241170396 0.38851267335081 78.960 > 65 67 Se 0.50000000000000 0.24040241170396 0.38851267335081 78.960 > 65 68 Se 0.75000000000000 0.24040241170396 0.38851267335081 78.960 > 65 69 Se 0.12500000000000 0.25959758829604 0.88851267335081 78.960 > 69 70 Se 0.37500000000000 0.25959758829604 0.88851267335081 78.960 > 69 71 Se 0.62500000000000 0.25959758829604 0.88851267335081 78.960 > 69 72 Se 0.87500000000000 0.25959758829604 0.88851267335081 78.960 > 69 73 Se 0.12500000000000 0.25959758829604 0.61148732664919 78.960 > 73 74 Se 0.37500000000000 0.25959758829604 0.61148732664919 78.960 > 73 75 Se 0.62500000000000 0.25959758829604 0.61148732664919 78.960 > 73 76 Se 0.87500000000000 0.25959758829604 0.61148732664919 78.960 > 73 77 Se 0.00000000000000 0.24040241170396 0.11148732664919 78.960 > 77 78 Se 0.25000000000000 0.24040241170396 0.11148732664919 78.960 > 77 79 Se 0.50000000000000 0.24040241170396 0.11148732664919 78.960 > 77 80 Se 0.75000000000000 0.24040241170396 0.11148732664919 78.960 > 77 81 Se 0.12500000000000 0.00000000000000 0.00000000000000 78.960 > 81 82 Se 0.37500000000000 0.00000000000000 0.00000000000000 78.960 > 81 83 Se 0.62500000000000 0.00000000000000 0.00000000000000 78.960 > 81 84 Se 0.87500000000000 0.00000000000000 0.00000000000000 78.960 > 81 85 Se 0.12500000000000 0.00000000000000 0.50000000000000 78.960 > 85 86 Se 0.37500000000000 0.00000000000000 0.50000000000000 78.960 > 85 87 Se 0.62500000000000 0.00000000000000 0.50000000000000 78.960 > 85 88 Se 0.87500000000000 0.00000000000000 0.50000000000000 78.960 > 85 89 Se 0.00000000000000 0.07769752322374 0.75000000000000 78.960 > 89 90 Se 0.25000000000000 0.07769752322374 0.75000000000000 78.960 > 89 91 Se 0.50000000000000 0.07769752322374 0.75000000000000 78.960 > 89 92 Se 0.75000000000000 0.07769752322374 0.75000000000000 78.960 > 89 93 Se 0.12500000000000 0.42230247677626 0.25000000000000 78.960 > 93 94 Se 0.37500000000000 0.42230247677626 0.25000000000000 78.960 > 93 95 Se 0.62500000000000 0.42230247677626 0.25000000000000 78.960 > 93 96 Se 0.87500000000000 0.42230247677626 0.25000000000000 78.960 > 93 97 Se 0.12500000000000 0.74040241170396 0.38851267335081 78.960 > 65 98 Se 0.37500000000000 0.74040241170396 0.38851267335081 78.960 > 65 99 Se 0.62500000000000 0.74040241170396 0.38851267335081 78.960 > 65 100 Se 0.87500000000000 0.74040241170396 0.38851267335081 78.960 > 65 101 Se 0.00000000000000 0.75959758829604 0.88851267335081 78.960 > 69 102 Se 0.25000000000000 0.75959758829604 0.88851267335081 78.960 > 69 103 Se 0.50000000000000 0.75959758829604 0.88851267335081 78.960 > 69 104 Se 0.75000000000000 0.75959758829604 0.88851267335081 78.960 > 69 105 Se 0.00000000000000 0.75959758829604 0.61148732664919 78.960 > 73 106 Se 0.25000000000000 0.75959758829604 0.61148732664919 78.960 > 73 107 Se 0.50000000000000 0.75959758829604 0.61148732664919 78.960 > 73 108 Se 0.75000000000000 0.75959758829604 0.61148732664919 78.960 > 73 109 Se 0.12500000000000 0.74040241170396 0.11148732664919 78.960 > 77 110 Se 0.37500000000000 0.74040241170396 0.11148732664919 78.960 > 77 111 Se 0.62500000000000 0.74040241170396 0.11148732664919 78.960 > 77 112 Se 0.87500000000000 0.74040241170396 0.11148732664919 78.960 > 77 113 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 81 114 Se 0.25000000000000 0.50000000000000 0.00000000000000 78.960 > 81 115 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 81 116 Se 0.75000000000000 0.50000000000000 0.00000000000000 78.960 > 81 117 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 85 118 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 85 119 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 85 120 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 85 121 Se 0.12500000000000 0.57769752322374 0.75000000000000 78.960 > 89 122 Se 0.37500000000000 0.57769752322374 0.75000000000000 78.960 > 89 123 Se 0.62500000000000 0.57769752322374 0.75000000000000 78.960 > 89 124 Se 0.87500000000000 0.57769752322374 0.75000000000000 78.960 > 89 125 Se 0.00000000000000 0.92230247677626 0.25000000000000 78.960 > 93 126 Se 0.25000000000000 0.92230247677626 0.25000000000000 78.960 > 93 127 Se 0.50000000000000 0.92230247677626 0.25000000000000 78.960 > 93 128 Se 0.75000000000000 0.92230247677626 0.25000000000000 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8916688 0.0000000 0.0000000 0.0000000 7.0254247 0.0000000 0.0000000 0.0000000 9.1648900 -------------------------- Born effective charges -------------------------- 1 Cs 1.1547723 0.0000000 0.0000000 0.0000000 1.7371383 0.0000000 0.0000000 0.0000000 1.2705061 2 Cs 1.1547723 0.0000000 0.0000000 0.0000000 1.7371383 0.0000000 0.0000000 0.0000000 1.2705061 3 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 0.0589455 0.0000000 0.3379598 4.7644047 4 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 -0.0589455 0.0000000 -0.3379598 4.7644047 5 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 0.0589455 0.0000000 0.3379598 4.7644047 6 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 -0.0589455 0.0000000 -0.3379598 4.7644047 7 Cu 0.6949043 0.0000000 0.0000000 0.0000000 0.3710221 0.0000000 0.0000000 0.0000000 0.5161654 8 Cu 0.6949043 0.0000000 0.0000000 0.0000000 0.3710221 0.0000000 0.0000000 0.0000000 0.5161654 9 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 0.4287986 0.0000000 0.7795423 -2.9699958 10 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 -0.4287986 0.0000000 -0.7795423 -2.9699958 11 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 0.4287986 0.0000000 0.7795423 -2.9699958 12 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 -0.4287986 0.0000000 -0.7795423 -2.9699958 13 Se -4.3426153 0.0000000 0.0000000 0.0000000 -3.3085326 0.9716891 0.0000000 0.8680396 -1.5720555 14 Se -4.3426153 0.0000000 0.0000000 0.0000000 -3.3085326 -0.9716891 0.0000000 -0.8680396 -1.5720555 15 Se -1.7367677 0.0000000 0.0000000 0.0000000 -1.4048779 0.0000000 0.0000000 0.0000000 -3.8034338 16 Se -1.7367677 0.0000000 0.0000000 0.0000000 -1.4048779 0.0000000 0.0000000 0.0000000 -3.8034338 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:07:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:07:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.098485835000000 -7.368095995000002 0.000000000000000 b 2.098485835000000 7.368095995000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): 1 Cs 0.60586454433489 0.39413545566511 0.75000000000000 132.905 2 Cs 0.39413545566511 0.60586454433489 0.25000000000000 132.905 3 Nd 0.86590459462489 0.13409540537511 0.93918057363009 144.242 4 Nd 0.13409540537511 0.86590459462489 0.43918057363009 144.242 5 Nd 0.13409540537511 0.86590459462489 0.06081942636991 144.242 6 Nd 0.86590459462489 0.13409540537511 0.56081942636991 144.242 7 Cu 0.33517363108914 0.66482636891086 0.75000000000000 63.546 8 Cu 0.66482636891086 0.33517363108914 0.25000000000000 63.546 9 Se 0.75959758829604 0.24040241170396 0.38851267335081 78.960 10 Se 0.24040241170396 0.75959758829604 0.88851267335081 78.960 11 Se 0.24040241170396 0.75959758829604 0.61148732664919 78.960 12 Se 0.75959758829604 0.24040241170396 0.11148732664919 78.960 13 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 14 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 15 Se 0.92230247677626 0.07769752322374 0.75000000000000 78.960 16 Se 0.07769752322374 0.92230247677626 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.787886680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.736191990000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.524734049999999 Atomic positions (fractional): 1 Cs 0.00000000000000 0.39413545566511 0.75000000000000 132.905 > 1 2 Cs 0.25000000000000 0.39413545566511 0.75000000000000 132.905 > 1 3 Cs 0.50000000000000 0.39413545566511 0.75000000000000 132.905 > 1 4 Cs 0.75000000000000 0.39413545566511 0.75000000000000 132.905 > 1 5 Cs 0.12500000000000 0.10586454433489 0.25000000000000 132.905 > 5 6 Cs 0.37500000000000 0.10586454433489 0.25000000000000 132.905 > 5 7 Cs 0.62500000000000 0.10586454433489 0.25000000000000 132.905 > 5 8 Cs 0.87500000000000 0.10586454433489 0.25000000000000 132.905 > 5 9 Cs 0.12500000000000 0.89413545566511 0.75000000000000 132.905 > 1 10 Cs 0.37500000000000 0.89413545566511 0.75000000000000 132.905 > 1 11 Cs 0.62500000000000 0.89413545566511 0.75000000000000 132.905 > 1 12 Cs 0.87500000000000 0.89413545566511 0.75000000000000 132.905 > 1 13 Cs 0.00000000000000 0.60586454433489 0.25000000000000 132.905 > 5 14 Cs 0.25000000000000 0.60586454433489 0.25000000000000 132.905 > 5 15 Cs 0.50000000000000 0.60586454433489 0.25000000000000 132.905 > 5 16 Cs 0.75000000000000 0.60586454433489 0.25000000000000 132.905 > 5 17 Nd 0.00000000000000 0.13409540537511 0.93918057363009 144.242 > 17 18 Nd 0.25000000000000 0.13409540537511 0.93918057363009 144.242 > 17 19 Nd 0.50000000000000 0.13409540537511 0.93918057363009 144.242 > 17 20 Nd 0.75000000000000 0.13409540537511 0.93918057363009 144.242 > 17 21 Nd 0.12500000000000 0.36590459462489 0.43918057363009 144.242 > 21 22 Nd 0.37500000000000 0.36590459462489 0.43918057363009 144.242 > 21 23 Nd 0.62500000000000 0.36590459462489 0.43918057363009 144.242 > 21 24 Nd 0.87500000000000 0.36590459462489 0.43918057363009 144.242 > 21 25 Nd 0.12500000000000 0.36590459462489 0.06081942636991 144.242 > 25 26 Nd 0.37500000000000 0.36590459462489 0.06081942636991 144.242 > 25 27 Nd 0.62500000000000 0.36590459462489 0.06081942636991 144.242 > 25 28 Nd 0.87500000000000 0.36590459462489 0.06081942636991 144.242 > 25 29 Nd 0.00000000000000 0.13409540537511 0.56081942636991 144.242 > 29 30 Nd 0.25000000000000 0.13409540537511 0.56081942636991 144.242 > 29 31 Nd 0.50000000000000 0.13409540537511 0.56081942636991 144.242 > 29 32 Nd 0.75000000000000 0.13409540537511 0.56081942636991 144.242 > 29 33 Nd 0.12500000000000 0.63409540537511 0.93918057363009 144.242 > 17 34 Nd 0.37500000000000 0.63409540537511 0.93918057363009 144.242 > 17 35 Nd 0.62500000000000 0.63409540537511 0.93918057363009 144.242 > 17 36 Nd 0.87500000000000 0.63409540537511 0.93918057363009 144.242 > 17 37 Nd 0.00000000000000 0.86590459462489 0.43918057363009 144.242 > 21 38 Nd 0.25000000000000 0.86590459462489 0.43918057363009 144.242 > 21 39 Nd 0.50000000000000 0.86590459462489 0.43918057363009 144.242 > 21 40 Nd 0.75000000000000 0.86590459462489 0.43918057363009 144.242 > 21 41 Nd 0.00000000000000 0.86590459462489 0.06081942636991 144.242 > 25 42 Nd 0.25000000000000 0.86590459462489 0.06081942636991 144.242 > 25 43 Nd 0.50000000000000 0.86590459462489 0.06081942636991 144.242 > 25 44 Nd 0.75000000000000 0.86590459462489 0.06081942636991 144.242 > 25 45 Nd 0.12500000000000 0.63409540537511 0.56081942636991 144.242 > 29 46 Nd 0.37500000000000 0.63409540537511 0.56081942636991 144.242 > 29 47 Nd 0.62500000000000 0.63409540537511 0.56081942636991 144.242 > 29 48 Nd 0.87500000000000 0.63409540537511 0.56081942636991 144.242 > 29 49 Cu 0.12500000000000 0.16482636891086 0.75000000000000 63.546 > 49 50 Cu 0.37500000000000 0.16482636891086 0.75000000000000 63.546 > 49 51 Cu 0.62500000000000 0.16482636891086 0.75000000000000 63.546 > 49 52 Cu 0.87500000000000 0.16482636891086 0.75000000000000 63.546 > 49 53 Cu 0.00000000000000 0.33517363108914 0.25000000000000 63.546 > 53 54 Cu 0.25000000000000 0.33517363108914 0.25000000000000 63.546 > 53 55 Cu 0.50000000000000 0.33517363108914 0.25000000000000 63.546 > 53 56 Cu 0.75000000000000 0.33517363108914 0.25000000000000 63.546 > 53 57 Cu 0.00000000000000 0.66482636891086 0.75000000000000 63.546 > 49 58 Cu 0.25000000000000 0.66482636891086 0.75000000000000 63.546 > 49 59 Cu 0.50000000000000 0.66482636891086 0.75000000000000 63.546 > 49 60 Cu 0.75000000000000 0.66482636891086 0.75000000000000 63.546 > 49 61 Cu 0.12500000000000 0.83517363108914 0.25000000000000 63.546 > 53 62 Cu 0.37500000000000 0.83517363108914 0.25000000000000 63.546 > 53 63 Cu 0.62500000000000 0.83517363108914 0.25000000000000 63.546 > 53 64 Cu 0.87500000000000 0.83517363108914 0.25000000000000 63.546 > 53 65 Se 0.00000000000000 0.24040241170396 0.38851267335081 78.960 > 65 66 Se 0.25000000000000 0.24040241170396 0.38851267335081 78.960 > 65 67 Se 0.50000000000000 0.24040241170396 0.38851267335081 78.960 > 65 68 Se 0.75000000000000 0.24040241170396 0.38851267335081 78.960 > 65 69 Se 0.12500000000000 0.25959758829604 0.88851267335081 78.960 > 69 70 Se 0.37500000000000 0.25959758829604 0.88851267335081 78.960 > 69 71 Se 0.62500000000000 0.25959758829604 0.88851267335081 78.960 > 69 72 Se 0.87500000000000 0.25959758829604 0.88851267335081 78.960 > 69 73 Se 0.12500000000000 0.25959758829604 0.61148732664919 78.960 > 73 74 Se 0.37500000000000 0.25959758829604 0.61148732664919 78.960 > 73 75 Se 0.62500000000000 0.25959758829604 0.61148732664919 78.960 > 73 76 Se 0.87500000000000 0.25959758829604 0.61148732664919 78.960 > 73 77 Se 0.00000000000000 0.24040241170396 0.11148732664919 78.960 > 77 78 Se 0.25000000000000 0.24040241170396 0.11148732664919 78.960 > 77 79 Se 0.50000000000000 0.24040241170396 0.11148732664919 78.960 > 77 80 Se 0.75000000000000 0.24040241170396 0.11148732664919 78.960 > 77 81 Se 0.12500000000000 0.00000000000000 0.00000000000000 78.960 > 81 82 Se 0.37500000000000 0.00000000000000 0.00000000000000 78.960 > 81 83 Se 0.62500000000000 0.00000000000000 0.00000000000000 78.960 > 81 84 Se 0.87500000000000 0.00000000000000 0.00000000000000 78.960 > 81 85 Se 0.12500000000000 0.00000000000000 0.50000000000000 78.960 > 85 86 Se 0.37500000000000 0.00000000000000 0.50000000000000 78.960 > 85 87 Se 0.62500000000000 0.00000000000000 0.50000000000000 78.960 > 85 88 Se 0.87500000000000 0.00000000000000 0.50000000000000 78.960 > 85 89 Se 0.00000000000000 0.07769752322374 0.75000000000000 78.960 > 89 90 Se 0.25000000000000 0.07769752322374 0.75000000000000 78.960 > 89 91 Se 0.50000000000000 0.07769752322374 0.75000000000000 78.960 > 89 92 Se 0.75000000000000 0.07769752322374 0.75000000000000 78.960 > 89 93 Se 0.12500000000000 0.42230247677626 0.25000000000000 78.960 > 93 94 Se 0.37500000000000 0.42230247677626 0.25000000000000 78.960 > 93 95 Se 0.62500000000000 0.42230247677626 0.25000000000000 78.960 > 93 96 Se 0.87500000000000 0.42230247677626 0.25000000000000 78.960 > 93 97 Se 0.12500000000000 0.74040241170396 0.38851267335081 78.960 > 65 98 Se 0.37500000000000 0.74040241170396 0.38851267335081 78.960 > 65 99 Se 0.62500000000000 0.74040241170396 0.38851267335081 78.960 > 65 100 Se 0.87500000000000 0.74040241170396 0.38851267335081 78.960 > 65 101 Se 0.00000000000000 0.75959758829604 0.88851267335081 78.960 > 69 102 Se 0.25000000000000 0.75959758829604 0.88851267335081 78.960 > 69 103 Se 0.50000000000000 0.75959758829604 0.88851267335081 78.960 > 69 104 Se 0.75000000000000 0.75959758829604 0.88851267335081 78.960 > 69 105 Se 0.00000000000000 0.75959758829604 0.61148732664919 78.960 > 73 106 Se 0.25000000000000 0.75959758829604 0.61148732664919 78.960 > 73 107 Se 0.50000000000000 0.75959758829604 0.61148732664919 78.960 > 73 108 Se 0.75000000000000 0.75959758829604 0.61148732664919 78.960 > 73 109 Se 0.12500000000000 0.74040241170396 0.11148732664919 78.960 > 77 110 Se 0.37500000000000 0.74040241170396 0.11148732664919 78.960 > 77 111 Se 0.62500000000000 0.74040241170396 0.11148732664919 78.960 > 77 112 Se 0.87500000000000 0.74040241170396 0.11148732664919 78.960 > 77 113 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 81 114 Se 0.25000000000000 0.50000000000000 0.00000000000000 78.960 > 81 115 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 81 116 Se 0.75000000000000 0.50000000000000 0.00000000000000 78.960 > 81 117 Se 0.00000000000000 0.50000000000000 0.50000000000000 78.960 > 85 118 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 85 119 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 85 120 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 85 121 Se 0.12500000000000 0.57769752322374 0.75000000000000 78.960 > 89 122 Se 0.37500000000000 0.57769752322374 0.75000000000000 78.960 > 89 123 Se 0.62500000000000 0.57769752322374 0.75000000000000 78.960 > 89 124 Se 0.87500000000000 0.57769752322374 0.75000000000000 78.960 > 89 125 Se 0.00000000000000 0.92230247677626 0.25000000000000 78.960 > 93 126 Se 0.25000000000000 0.92230247677626 0.25000000000000 78.960 > 93 127 Se 0.50000000000000 0.92230247677626 0.25000000000000 78.960 > 93 128 Se 0.75000000000000 0.92230247677626 0.25000000000000 78.960 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8916688 0.0000000 0.0000000 0.0000000 7.0254247 0.0000000 0.0000000 0.0000000 9.1648900 -------------------------- Born effective charges -------------------------- 1 Cs 1.1547723 0.0000000 0.0000000 0.0000000 1.7371383 0.0000000 0.0000000 0.0000000 1.2705061 2 Cs 1.1547723 0.0000000 0.0000000 0.0000000 1.7371383 0.0000000 0.0000000 0.0000000 1.2705061 3 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 0.0589455 0.0000000 0.3379598 4.7644047 4 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 -0.0589455 0.0000000 -0.3379598 4.7644047 5 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 0.0589455 0.0000000 0.3379598 4.7644047 6 Nd 4.9149305 0.0000000 0.0000000 0.0000000 3.6297349 -0.0589455 0.0000000 -0.3379598 4.7644047 7 Cu 0.6949043 0.0000000 0.0000000 0.0000000 0.3710221 0.0000000 0.0000000 0.0000000 0.5161654 8 Cu 0.6949043 0.0000000 0.0000000 0.0000000 0.3710221 0.0000000 0.0000000 0.0000000 0.5161654 9 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 0.4287986 0.0000000 0.7795423 -2.9699958 10 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 -0.4287986 0.0000000 -0.7795423 -2.9699958 11 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 0.4287986 0.0000000 0.7795423 -2.9699958 12 Se -2.8000772 0.0000000 0.0000000 0.0000000 -2.3271098 -0.4287986 0.0000000 -0.7795423 -2.9699958 13 Se -4.3426153 0.0000000 0.0000000 0.0000000 -3.3085326 0.9716891 0.0000000 0.8680396 -1.5720555 14 Se -4.3426153 0.0000000 0.0000000 0.0000000 -3.3085326 -0.9716891 0.0000000 -0.8680396 -1.5720555 15 Se -1.7367677 0.0000000 0.0000000 0.0000000 -1.4048779 0.0000000 0.0000000 0.0000000 -3.8034338 16 Se -1.7367677 0.0000000 0.0000000 0.0000000 -1.4048779 0.0000000 0.0000000 0.0000000 -3.8034338 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) 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 ... [ 12 12 3 ] 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: 0.54, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 18.012 -4.503 0.000) 18.566 0.485 ( 24.324 1.480 0.000) 24.369 0.822 ( 35.971 -12.743 0.000) 38.162 1.030 ( 9.073 -2.414 0.000) 9.389 1.206 ( 9.743 -1.203 0.000) 9.817 1.370 ( 9.349 -0.877 0.000) 9.390 1.521 ( 1.922 1.991 0.000) 2.767 1.689 ( 5.142 0.272 0.000) 5.149 1.766 ( -1.809 1.257 0.000) 2.203 1.774 ( -0.076 1.246 0.000) 1.248 1.790 ( 12.698 3.015 0.000) 13.051 1.887 ( 0.239 -1.119 0.000) 1.145 2.020 ( 2.909 9.229 0.000) 9.677 2.125 ( 0.450 -5.705 0.000) 5.723 2.140 ( 2.108 0.097 0.000) 2.110 2.149 ( 0.143 -0.640 0.000) 0.656 2.152 ( 5.034 -2.552 0.000) 5.644 2.319 ( 8.304 -0.164 0.000) 8.306 2.506 ( 0.384 2.090 0.000) 2.125 2.681 ( -1.673 -0.951 0.000) 1.924 2.823 ( 0.221 0.056 0.000) 0.228 2.939 ( 0.733 -0.091 0.000) 0.738 3.014 ( -4.239 1.979 0.000) 4.679 3.103 ( -0.088 -1.443 0.000) 1.446 3.281 ( -4.601 2.756 0.000) 5.364 3.333 ( -0.447 -1.807 0.000) 1.862 3.640 ( 16.493 0.132 0.000) 16.494 3.915 ( 3.198 2.084 0.000) 3.817 4.181 ( 4.562 0.882 0.000) 4.646 4.244 ( -0.861 -1.704 0.000) 1.909 4.273 ( -1.153 1.441 0.000) 1.845 4.392 ( 2.635 -0.775 0.000) 2.746 4.458 ( 2.747 5.755 0.000) 6.377 4.481 ( -1.553 -1.204 0.000) 1.965 4.720 ( 0.427 2.272 0.000) 2.312 4.849 ( -5.379 -1.146 0.000) 5.499 4.956 ( 0.553 0.374 0.000) 0.667 4.973 ( -2.276 6.564 0.000) 6.947 5.009 ( -5.448 0.774 0.000) 5.503 5.115 ( 3.210 -3.771 0.000) 4.952 5.197 ( -3.091 0.981 0.000) 3.243 5.239 ( 1.599 -3.170 0.000) 3.551 5.500 ( -0.363 0.102 0.000) 0.377 5.562 ( -0.107 0.084 0.000) 0.136 5.705 ( -0.367 5.569 0.000) 5.581 5.902 ( -1.046 2.709 0.000) 2.904 5.955 ( -1.124 -3.307 0.000) 3.493 5.987 ( -6.129 -4.896 0.000) 7.844 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 16.391 -3.256 0.000) 16.711 0.939 ( 22.651 3.907 0.000) 22.986 1.267 ( 12.455 -2.101 0.000) 12.631 1.365 ( 5.683 -0.864 0.000) 5.748 1.540 ( 28.213 -10.798 0.000) 30.209 1.554 ( 6.772 -3.501 0.000) 7.623 1.616 ( 8.546 2.533 0.000) 8.913 1.712 ( -1.076 2.836 0.000) 3.033 1.772 ( 1.561 2.760 0.000) 3.171 1.775 ( 0.728 -0.688 0.000) 1.002 1.882 ( 0.087 2.426 0.000) 2.428 1.997 ( 4.327 -0.760 0.000) 4.393 2.022 ( -0.877 2.094 0.000) 2.271 2.207 ( 7.812 3.206 0.000) 8.444 2.242 ( 10.272 1.563 0.000) 10.390 2.249 ( 12.014 2.127 0.000) 12.201 2.327 ( 9.710 -4.051 0.000) 10.521 2.511 ( 7.538 1.485 0.000) 7.682 2.525 ( 3.899 -3.398 0.000) 5.172 2.643 ( -2.428 -1.886 0.000) 3.074 2.837 ( 1.084 -0.059 0.000) 1.086 2.891 ( -5.128 3.392 0.000) 6.148 2.963 ( 0.728 -0.452 0.000) 0.857 3.072 ( -4.553 1.931 0.000) 4.946 3.175 ( -3.069 0.346 0.000) 3.089 3.342 ( 0.494 -1.207 0.000) 1.304 3.905 ( 8.270 0.359 0.000) 8.277 3.975 ( 3.464 0.948 0.000) 3.592 4.201 ( -2.164 -0.795 0.000) 2.305 4.236 ( -2.157 0.153 0.000) 2.163 4.380 ( 12.383 -1.043 0.000) 12.427 4.423 ( -2.030 -1.647 0.000) 2.614 4.474 ( -0.111 -1.256 0.000) 1.261 4.487 ( 3.565 -0.322 0.000) 3.579 4.717 ( 0.418 1.571 0.000) 1.626 4.765 ( -3.111 -0.653 0.000) 3.178 4.855 ( -7.716 1.985 0.000) 7.967 4.888 ( -2.403 4.589 0.000) 5.180 4.983 ( 1.611 -0.245 0.000) 1.629 5.050 ( -8.865 -2.350 0.000) 9.172 5.215 ( 2.890 -0.460 0.000) 2.927 5.298 ( 2.133 -0.823 0.000) 2.286 5.491 ( -0.417 0.335 0.000) 0.535 5.551 ( -1.171 0.143 0.000) 1.179 5.639 ( -1.674 10.086 0.000) 10.224 5.860 ( -1.339 3.171 0.000) 3.442 5.886 ( -6.134 -4.647 0.000) 7.696 5.950 ( -1.234 -3.129 0.000) 3.364 ======================= Grid point 3 (4/86) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 14.178 -1.983 0.000) 14.316 1.330 ( 19.410 6.738 0.000) 20.546 1.466 ( 4.350 -0.874 0.000) 4.436 1.505 ( 9.279 -0.172 0.000) 9.281 1.662 ( 2.759 -2.186 0.000) 3.520 1.702 ( 1.749 2.400 0.000) 2.970 1.762 ( -1.060 -1.203 0.000) 1.603 1.762 ( 1.362 3.263 0.000) 3.536 1.779 ( 7.128 3.778 0.000) 8.067 1.840 ( 0.961 5.004 0.000) 5.095 1.970 ( -3.406 -0.691 0.000) 3.475 2.025 ( 5.511 -7.324 0.000) 9.166 2.140 ( 14.768 -8.041 0.000) 16.815 2.288 ( 3.259 6.856 0.000) 7.591 2.432 ( 5.465 3.848 0.000) 6.684 2.501 ( 8.788 0.202 0.000) 8.790 2.542 ( 7.035 -2.329 0.000) 7.410 2.574 ( 2.297 -2.371 0.000) 3.301 2.611 ( 5.611 -0.392 0.000) 5.625 2.731 ( 7.539 -2.337 0.000) 7.893 2.824 ( 2.629 1.456 0.000) 3.006 2.866 ( 1.956 -0.124 0.000) 1.960 2.933 ( -5.967 0.400 0.000) 5.981 2.976 ( 0.357 0.396 0.000) 0.533 3.153 ( -0.414 -1.078 0.000) 1.154 3.365 ( 1.241 -0.231 0.000) 1.262 4.010 ( 4.031 -0.198 0.000) 4.036 4.038 ( 3.417 0.465 0.000) 3.449 4.150 ( -3.322 -1.231 0.000) 3.543 4.178 ( -3.744 -0.276 0.000) 3.754 4.372 ( -3.529 -1.711 0.000) 3.922 4.469 ( -1.338 -2.877 0.000) 3.173 4.539 ( 3.766 2.464 0.000) 4.500 4.606 ( 2.366 -0.877 0.000) 2.523 4.720 ( 0.965 1.017 0.000) 1.402 4.746 ( 1.341 0.241 0.000) 1.363 4.748 ( 0.847 0.038 0.000) 0.848 4.833 ( -2.345 1.430 0.000) 2.747 4.892 ( -6.108 -0.940 0.000) 6.180 5.029 ( 2.866 -0.087 0.000) 2.868 5.241 ( -0.439 -0.245 0.000) 0.503 5.322 ( -0.111 -0.210 0.000) 0.237 5.458 ( -2.369 4.330 0.000) 4.936 5.510 ( -2.851 0.031 0.000) 2.851 5.560 ( -0.339 7.198 0.000) 7.206 5.797 ( -5.347 -3.252 0.000) 6.258 5.816 ( -1.308 3.073 0.000) 3.340 5.935 ( -1.790 -1.239 0.000) 2.177 ======================= Grid point 4 (5/86) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 11.637 -0.793 0.000) 11.664 1.535 ( 2.184 0.028 0.000) 2.185 1.596 ( 9.106 7.781 0.000) 11.978 1.620 ( 3.005 -0.704 0.000) 3.086 1.687 ( -1.343 2.295 0.000) 2.659 1.695 ( 1.927 2.390 0.000) 3.070 1.761 ( -1.378 1.643 0.000) 2.145 1.808 ( 6.592 3.672 0.000) 7.546 1.813 ( 1.735 -1.117 0.000) 2.063 1.936 ( 1.593 -1.726 0.000) 2.349 1.958 ( 6.936 5.080 0.000) 8.597 2.074 ( -0.222 -3.719 0.000) 3.726 2.249 ( -1.250 5.896 0.000) 6.027 2.392 ( -4.188 6.747 0.000) 7.941 2.437 ( 6.482 -5.543 0.000) 8.529 2.555 ( -0.822 -1.472 0.000) 1.686 2.608 ( 2.783 -4.566 0.000) 5.347 2.633 ( 2.466 -1.640 0.000) 2.961 2.731 ( -1.289 -1.483 0.000) 1.965 2.849 ( 4.117 1.335 0.000) 4.328 2.886 ( 1.455 -0.627 0.000) 1.584 2.962 ( 1.023 0.189 0.000) 1.040 2.998 ( 10.083 -6.455 0.000) 11.972 3.001 ( 7.031 -2.073 0.000) 7.331 3.173 ( 2.469 -1.980 0.000) 3.165 3.384 ( 0.725 0.650 0.000) 0.974 4.083 ( 0.224 -0.399 0.000) 0.458 4.104 ( 0.542 -0.139 0.000) 0.560 4.107 ( 1.416 -0.821 0.000) 1.637 4.109 ( -0.103 0.073 0.000) 0.127 4.315 ( -1.928 -0.048 0.000) 1.929 4.464 ( -0.169 -1.524 0.000) 1.534 4.568 ( 0.371 4.575 0.000) 4.590 4.577 ( -0.424 0.176 0.000) 0.460 4.712 ( -3.873 1.182 0.000) 4.049 4.754 ( 2.560 1.193 0.000) 2.824 4.812 ( 2.577 -0.925 0.000) 2.738 4.836 ( 2.610 -3.121 0.000) 4.069 4.865 ( 0.878 -0.489 0.000) 1.005 5.096 ( 3.742 -0.156 0.000) 3.745 5.207 ( -3.026 -0.172 0.000) 3.031 5.293 ( -2.419 0.907 0.000) 2.584 5.369 ( -2.831 6.358 0.000) 6.960 5.441 ( -4.041 -0.049 0.000) 4.042 5.532 ( -0.411 2.205 0.000) 2.242 5.701 ( -5.781 -1.610 0.000) 6.001 5.773 ( -1.301 2.571 0.000) 2.881 5.886 ( -3.376 0.334 0.000) 3.393 ======================= Grid point 5 (6/86) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 7.806 0.334 0.000) 7.813 1.567 ( 2.072 0.439 0.000) 2.118 1.613 ( -0.138 6.393 0.000) 6.394 1.629 ( -1.509 -0.736 0.000) 1.679 1.674 ( 0.318 0.714 0.000) 0.781 1.698 ( -0.788 0.008 0.000) 0.788 1.753 ( 1.213 2.026 0.000) 2.362 1.789 ( -3.096 -1.787 0.000) 3.575 1.975 ( 9.838 6.171 0.000) 11.614 2.018 ( 2.533 3.631 0.000) 4.427 2.039 ( 5.666 -0.599 0.000) 5.697 2.077 ( -2.120 -4.687 0.000) 5.144 2.219 ( 1.807 3.120 0.000) 3.606 2.267 ( -4.241 4.942 0.000) 6.512 2.500 ( -0.394 -2.116 0.000) 2.152 2.536 ( -1.057 -0.089 0.000) 1.061 2.665 ( 0.400 -0.525 0.000) 0.660 2.679 ( -1.940 -5.480 0.000) 5.814 2.715 ( 0.313 -3.062 0.000) 3.077 2.884 ( 1.289 1.516 0.000) 1.990 2.912 ( 0.905 -0.633 0.000) 1.104 2.950 ( -0.675 0.748 0.000) 1.007 3.141 ( 3.802 -3.001 0.000) 4.844 3.155 ( 3.579 -3.139 0.000) 4.760 3.273 ( 2.132 -0.778 0.000) 2.270 3.414 ( 3.748 -1.474 0.000) 4.028 4.059 ( -1.002 -0.177 0.000) 1.017 4.073 ( -0.711 -0.074 0.000) 0.715 4.158 ( 1.631 0.103 0.000) 1.634 4.159 ( 1.495 0.368 0.000) 1.539 4.331 ( 3.019 -1.310 0.000) 3.291 4.479 ( 0.574 -0.487 0.000) 0.753 4.514 ( -1.956 4.797 0.000) 5.181 4.611 ( 3.142 0.815 0.000) 3.246 4.667 ( 0.678 1.210 0.000) 1.387 4.794 ( 1.712 1.261 0.000) 2.126 4.855 ( -2.295 -3.312 0.000) 4.029 4.888 ( 3.521 -1.648 0.000) 3.887 4.914 ( 4.160 -0.534 0.000) 4.194 5.127 ( -4.909 -0.015 0.000) 4.909 5.175 ( 4.155 -0.092 0.000) 4.156 5.234 ( -2.769 0.460 0.000) 2.807 5.272 ( -3.668 4.918 0.000) 6.135 5.354 ( -4.676 -0.058 0.000) 4.676 5.514 ( -0.395 0.675 0.000) 0.782 5.596 ( -4.936 -0.683 0.000) 4.983 5.740 ( -0.816 1.552 0.000) 1.753 5.812 ( -3.217 0.634 0.000) 3.279 ======================= Grid point 6 (7/86) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 -0.000 0.000) 0.000 1.607 ( 0.000 -0.000 0.000) 0.000 1.652 ( -0.000 -0.000 0.000) 0.000 1.691 ( -0.000 -0.000 0.000) 0.000 1.694 ( -0.000 -0.000 0.000) 0.000 1.732 ( 0.000 -0.000 0.000) 0.000 1.759 ( 0.000 -0.000 0.000) 0.000 2.032 ( 0.000 -0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.070 ( -0.000 -0.000 0.000) 0.000 2.120 ( 0.000 -0.000 0.000) 0.000 2.191 ( 0.000 -0.000 0.000) 0.000 2.258 ( 0.000 -0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.509 ( -0.000 -0.000 0.000) 0.000 2.668 ( 0.000 -0.000 0.000) 0.000 2.679 ( 0.000 -0.000 0.000) 0.000 2.716 ( 0.000 -0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 -0.000 0.000) 0.000 2.934 ( 0.000 -0.000 0.000) 0.000 3.184 ( 0.000 -0.000 0.000) 0.000 3.226 ( 0.000 -0.000 0.000) 0.000 3.250 ( 0.000 -0.000 0.000) 0.000 3.479 ( 0.000 -0.000 0.000) 0.000 4.050 ( 0.000 -0.000 0.000) 0.000 4.068 ( 0.000 -0.000 0.000) 0.000 4.170 ( 0.000 -0.000 0.000) 0.000 4.172 ( 0.000 -0.000 0.000) 0.000 4.390 ( 0.000 -0.000 0.000) 0.000 4.463 ( 0.000 -0.000 0.000) 0.000 4.482 ( 0.000 -0.000 0.000) 0.000 4.658 ( -0.000 -0.000 0.000) 0.000 4.688 ( 0.000 -0.000 0.000) 0.000 4.806 ( 0.000 -0.000 0.000) 0.000 4.822 ( 0.000 -0.000 0.000) 0.000 4.943 ( 0.000 -0.000 0.000) 0.000 5.017 ( -0.000 -0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 -0.000 0.000) 0.000 5.260 ( -0.000 -0.000 0.000) 0.000 5.264 ( 0.000 -0.000 0.000) 0.000 5.513 ( -0.000 -0.000 0.000) 0.000 5.539 ( 0.000 -0.000 0.000) 0.000 5.727 ( 0.000 -0.000 0.000) 0.000 5.774 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/86) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 17.218 -0.000 0.000) 17.218 0.968 ( 23.203 -0.000 0.000) 23.203 1.255 ( 13.120 -0.000 0.000) 13.120 1.360 ( 5.810 -0.000 0.000) 5.810 1.469 ( 30.761 -0.000 0.000) 30.761 1.535 ( 6.297 -0.000 0.000) 6.297 1.632 ( 8.108 -0.000 0.000) 8.108 1.730 ( -1.752 0.000 0.000) 1.752 1.768 ( 1.094 -0.000 0.000) 1.094 1.789 ( 1.496 -0.000 0.000) 1.496 1.896 ( 2.357 -0.000 0.000) 2.357 1.993 ( 0.317 -0.000 0.000) 0.317 2.035 ( -2.821 0.000 0.000) 2.821 2.234 ( 5.979 -0.000 0.000) 5.979 2.242 ( 14.405 -0.000 0.000) 14.405 2.267 ( 14.131 -0.000 0.000) 14.131 2.296 ( 9.259 -0.000 0.000) 9.259 2.502 ( 7.547 -0.000 0.000) 7.547 2.522 ( 3.109 -0.000 0.000) 3.109 2.632 ( -2.931 0.000 0.000) 2.931 2.836 ( 1.067 -0.000 0.000) 1.067 2.912 ( -5.736 0.000 0.000) 5.736 2.960 ( 1.179 -0.000 0.000) 1.179 3.083 ( -3.418 0.000 0.000) 3.418 3.177 ( -4.461 0.000 0.000) 4.461 3.334 ( 0.938 -0.000 0.000) 0.938 3.907 ( 8.183 -0.000 0.000) 8.183 3.981 ( 3.186 -0.000 0.000) 3.186 4.196 ( -2.691 0.000 0.000) 2.691 4.236 ( -2.578 0.000 0.000) 2.578 4.374 ( 13.326 -0.000 0.000) 13.326 4.413 ( -2.331 0.000 0.000) 2.331 4.466 ( -1.117 0.000 0.000) 1.117 4.485 ( 3.902 -0.000 0.000) 3.902 4.728 ( 0.384 -0.000 0.000) 0.384 4.759 ( -3.128 0.000 0.000) 3.128 4.867 ( -8.035 0.000 0.000) 8.035 4.919 ( -3.245 0.000 0.000) 3.245 4.981 ( 1.764 -0.000 0.000) 1.764 5.032 ( -8.866 0.000 0.000) 8.866 5.212 ( 3.106 -0.000 0.000) 3.106 5.293 ( 2.502 -0.000 0.000) 2.502 5.493 ( -0.316 0.000 0.000) 0.316 5.552 ( -1.199 0.000 0.000) 1.199 5.713 ( -0.839 0.000 0.000) 0.839 5.845 ( -6.693 0.000 0.000) 6.693 5.885 ( -1.698 0.000 0.000) 1.698 5.925 ( -0.458 0.000 0.000) 0.458 ======================= Grid point 15 (9/86) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 14.911 -0.685 0.000) 14.927 1.393 ( 20.098 3.449 0.000) 20.392 1.459 ( 4.435 -0.325 0.000) 4.447 1.503 ( 10.212 -0.093 0.000) 10.212 1.640 ( 4.562 -1.115 0.000) 4.696 1.718 ( 1.600 0.482 0.000) 1.671 1.753 ( -1.761 -0.226 0.000) 1.776 1.782 ( -1.195 0.765 0.000) 1.420 1.813 ( 8.942 1.645 0.000) 9.092 1.897 ( -0.055 2.902 0.000) 2.902 1.965 ( -3.970 -0.189 0.000) 3.974 1.966 ( 7.595 -0.936 0.000) 7.653 2.051 ( 14.909 -6.685 0.000) 16.339 2.350 ( 5.053 3.030 0.000) 5.892 2.468 ( 7.513 2.386 0.000) 7.883 2.513 ( 2.958 2.175 0.000) 3.672 2.516 ( 6.629 -1.911 0.000) 6.899 2.545 ( 1.848 -2.876 0.000) 3.418 2.610 ( 9.078 0.209 0.000) 9.081 2.710 ( 9.231 -1.159 0.000) 9.304 2.838 ( 0.614 0.784 0.000) 0.995 2.865 ( 2.039 -0.028 0.000) 2.039 2.932 ( -9.413 -0.281 0.000) 9.417 2.979 ( 0.637 0.134 0.000) 0.651 3.147 ( -0.237 -0.106 0.000) 0.260 3.362 ( 1.611 -0.109 0.000) 1.615 4.009 ( 3.771 -0.029 0.000) 3.771 4.043 ( 3.210 0.236 0.000) 3.218 4.139 ( -3.005 -0.521 0.000) 3.050 4.175 ( -3.663 -0.206 0.000) 3.669 4.358 ( -2.895 -0.699 0.000) 2.978 4.445 ( -0.850 -1.096 0.000) 1.387 4.564 ( 4.044 1.779 0.000) 4.418 4.591 ( 3.941 -1.361 0.000) 4.170 4.729 ( 0.381 0.420 0.000) 0.567 4.748 ( 1.509 -0.070 0.000) 1.510 4.750 ( -0.790 0.238 0.000) 0.825 4.850 ( -6.346 1.334 0.000) 6.485 4.879 ( -2.990 -1.155 0.000) 3.205 5.028 ( 2.883 -0.039 0.000) 2.883 5.239 ( -0.387 -0.075 0.000) 0.394 5.320 ( 0.116 -0.084 0.000) 0.143 5.480 ( -1.245 0.579 0.000) 1.374 5.511 ( -2.910 0.010 0.000) 2.910 5.654 ( -2.368 7.993 0.000) 8.337 5.746 ( -4.977 -5.513 0.000) 7.427 5.843 ( -1.925 1.400 0.000) 2.381 5.923 ( -0.658 -0.716 0.000) 0.972 ======================= Grid point 16 (10/86) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 12.235 -0.376 0.000) 12.241 1.534 ( 2.632 -0.088 0.000) 2.633 1.612 ( 1.899 -0.538 0.000) 1.974 1.671 ( 6.152 4.665 0.000) 7.720 1.711 ( -1.235 1.746 0.000) 2.139 1.715 ( 3.470 1.497 0.000) 3.779 1.775 ( 0.562 2.109 0.000) 2.183 1.800 ( 1.667 -0.980 0.000) 1.934 1.845 ( 5.400 0.877 0.000) 5.470 1.920 ( 2.108 -0.941 0.000) 2.308 2.005 ( 6.982 2.998 0.000) 7.599 2.032 ( 0.951 -2.234 0.000) 2.428 2.339 ( -1.595 8.016 0.000) 8.173 2.377 ( 9.316 -3.793 0.000) 10.059 2.459 ( -4.758 4.764 0.000) 6.733 2.530 ( -0.035 -3.183 0.000) 3.184 2.563 ( 1.358 -3.287 0.000) 3.556 2.614 ( 3.403 -1.690 0.000) 3.800 2.703 ( -6.578 -2.929 0.000) 7.201 2.863 ( 5.536 0.981 0.000) 5.622 2.879 ( 1.420 -0.544 0.000) 1.520 2.943 ( 11.888 -3.116 0.000) 12.290 2.961 ( 4.776 -0.256 0.000) 4.783 2.986 ( 1.987 -0.678 0.000) 2.100 3.157 ( 1.514 -0.975 0.000) 1.800 3.390 ( 0.934 0.278 0.000) 0.975 4.083 ( 0.426 0.222 0.000) 0.480 4.097 ( 1.754 -0.872 0.000) 1.959 4.104 ( -0.876 0.096 0.000) 0.881 4.109 ( 1.272 -0.099 0.000) 1.276 4.315 ( -1.447 -0.047 0.000) 1.448 4.450 ( 0.624 -0.883 0.000) 1.081 4.579 ( -0.697 0.081 0.000) 0.702 4.611 ( 1.340 3.009 0.000) 3.294 4.721 ( -3.755 0.470 0.000) 3.784 4.766 ( 2.703 0.930 0.000) 2.858 4.800 ( 2.712 -1.052 0.000) 2.909 4.804 ( 1.791 -2.305 0.000) 2.919 4.864 ( 0.417 0.062 0.000) 0.422 5.094 ( 3.724 -0.087 0.000) 3.725 5.205 ( -2.959 -0.095 0.000) 2.960 5.298 ( -2.216 0.204 0.000) 2.225 5.424 ( -3.297 3.060 0.000) 4.499 5.441 ( -4.043 -0.026 0.000) 4.044 5.571 ( -2.001 4.548 0.000) 4.968 5.673 ( -5.263 -3.320 0.000) 6.222 5.796 ( -1.931 1.364 0.000) 2.364 5.889 ( -2.868 0.310 0.000) 2.885 ======================= Grid point 17 (11/86) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 8.549 0.319 0.000) 8.555 1.570 ( 1.776 0.114 0.000) 1.780 1.623 ( -0.704 -0.386 0.000) 0.803 1.676 ( -0.052 2.634 0.000) 2.635 1.686 ( -0.556 1.463 0.000) 1.565 1.716 ( -1.997 4.723 0.000) 5.128 1.767 ( -3.263 -2.120 0.000) 3.891 1.772 ( 0.836 1.305 0.000) 1.550 2.005 ( 2.870 -3.514 0.000) 4.537 2.033 ( 5.729 -0.378 0.000) 5.742 2.047 ( 0.302 1.906 0.000) 1.930 2.066 ( 4.438 4.779 0.000) 6.522 2.264 ( -0.500 4.662 0.000) 4.689 2.318 ( -6.051 3.875 0.000) 7.185 2.478 ( 0.458 -1.970 0.000) 2.023 2.518 ( -2.299 -3.293 0.000) 4.016 2.607 ( -0.792 -6.302 0.000) 6.351 2.659 ( 0.744 -0.635 0.000) 0.978 2.677 ( 2.229 -2.886 0.000) 3.646 2.905 ( 0.924 -0.638 0.000) 1.123 2.918 ( 2.034 3.729 0.000) 4.247 2.959 ( -0.749 0.824 0.000) 1.113 3.108 ( 4.882 -2.568 0.000) 5.516 3.133 ( 4.753 -1.079 0.000) 4.874 3.255 ( 5.632 -2.350 0.000) 6.103 3.402 ( 1.254 -0.727 0.000) 1.450 4.059 ( -0.764 0.166 0.000) 0.782 4.073 ( -0.583 0.032 0.000) 0.584 4.159 ( 1.715 0.134 0.000) 1.720 4.163 ( 2.099 0.332 0.000) 2.125 4.317 ( 1.645 -1.045 0.000) 1.949 4.473 ( 0.928 -0.505 0.000) 1.057 4.563 ( -1.622 3.556 0.000) 3.908 4.623 ( 2.645 1.427 0.000) 3.005 4.679 ( 0.139 0.836 0.000) 0.848 4.807 ( 0.961 0.963 0.000) 1.361 4.815 ( -1.805 -3.469 0.000) 3.910 4.869 ( 3.612 -1.514 0.000) 3.916 4.913 ( 4.683 0.092 0.000) 4.684 5.127 ( -4.883 -0.024 0.000) 4.883 5.174 ( 4.238 -0.079 0.000) 4.239 5.236 ( -3.668 0.092 0.000) 3.669 5.324 ( -4.591 3.807 0.000) 5.964 5.353 ( -4.685 -0.036 0.000) 4.686 5.525 ( -0.996 1.222 0.000) 1.577 5.584 ( -4.504 -1.398 0.000) 4.716 5.753 ( -1.621 0.889 0.000) 1.849 5.819 ( -3.286 0.693 0.000) 3.359 ======================= Grid point 18 (12/86) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -0.909 0.374 0.000) 0.983 1.607 ( 1.106 0.007 0.000) 1.106 1.609 ( -3.364 4.248 0.000) 5.419 1.655 ( -1.147 0.440 0.000) 1.229 1.690 ( -1.283 -0.269 0.000) 1.311 1.691 ( 0.510 -0.362 0.000) 0.625 1.730 ( 3.123 -0.335 0.000) 3.141 1.760 ( -1.556 0.185 0.000) 1.567 2.009 ( -3.018 -4.634 0.000) 5.530 2.023 ( -2.350 -1.328 0.000) 2.700 2.109 ( 1.815 4.097 0.000) 4.481 2.114 ( 1.292 -0.773 0.000) 1.506 2.195 ( -4.049 0.718 0.000) 4.112 2.249 ( -2.834 -1.612 0.000) 3.260 2.483 ( 1.569 -1.309 0.000) 2.043 2.512 ( 1.000 0.602 0.000) 1.167 2.647 ( 0.541 -4.635 0.000) 4.666 2.667 ( 0.155 -0.256 0.000) 0.299 2.727 ( 2.771 1.337 0.000) 3.077 2.921 ( 0.435 3.656 0.000) 3.682 2.925 ( 0.788 -0.489 0.000) 0.928 2.939 ( -0.831 0.549 0.000) 0.996 3.184 ( 1.834 -0.109 0.000) 1.838 3.214 ( 3.288 -1.220 0.000) 3.507 3.276 ( -1.469 3.536 0.000) 3.829 3.466 ( 1.596 -2.191 0.000) 2.710 4.052 ( 0.205 0.393 0.000) 0.443 4.069 ( 0.109 0.251 0.000) 0.273 4.173 ( -0.133 0.046 0.000) 0.140 4.174 ( -0.262 0.688 0.000) 0.737 4.370 ( 1.684 -2.704 0.000) 3.185 4.482 ( 0.006 -0.094 0.000) 0.094 4.482 ( -3.856 2.734 0.000) 4.727 4.652 ( -1.464 -1.059 0.000) 1.807 4.687 ( -0.570 -0.174 0.000) 0.596 4.803 ( -0.911 -0.518 0.000) 1.048 4.823 ( 2.953 0.122 0.000) 2.955 4.948 ( 2.523 0.795 0.000) 2.645 5.017 ( -1.918 0.031 0.000) 1.918 5.023 ( 1.952 -0.026 0.000) 1.952 5.171 ( -1.916 -1.686 0.000) 2.552 5.228 ( -2.399 1.469 0.000) 2.813 5.260 ( -1.630 0.014 0.000) 1.630 5.263 ( 1.698 -0.035 0.000) 1.698 5.514 ( -0.490 0.059 0.000) 0.493 5.538 ( 0.541 -0.125 0.000) 0.555 5.725 ( -0.993 -0.273 0.000) 1.030 5.776 ( -0.368 0.296 0.000) 0.472 ======================= Grid point 19 (13/86) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.773 -0.240 0.000) 6.777 1.552 ( -2.260 -4.120 0.000) 4.700 1.560 ( -2.616 -0.689 0.000) 2.705 1.639 ( 1.198 0.819 0.000) 1.451 1.671 ( -0.246 0.165 0.000) 0.296 1.701 ( -0.174 0.398 0.000) 0.434 1.725 ( -2.154 -2.823 0.000) 3.551 1.807 ( 2.997 1.262 0.000) 3.252 1.908 ( -9.344 -5.288 0.000) 10.737 1.973 ( -4.129 -4.242 0.000) 5.920 2.047 ( -5.352 0.881 0.000) 5.424 2.117 ( -1.152 1.192 0.000) 1.658 2.209 ( 1.610 2.209 0.000) 2.733 2.210 ( 2.294 -5.009 0.000) 5.510 2.512 ( -0.739 -0.845 0.000) 1.123 2.541 ( 2.674 1.875 0.000) 3.266 2.670 ( 0.002 0.331 0.000) 0.331 2.699 ( 2.671 -2.407 0.000) 3.595 2.751 ( -0.161 3.881 0.000) 3.885 2.892 ( -1.596 2.269 0.000) 2.775 2.918 ( -0.995 0.439 0.000) 1.088 2.943 ( 0.703 -0.513 0.000) 0.870 3.173 ( -2.745 2.554 0.000) 3.749 3.206 ( -1.995 5.644 0.000) 5.987 3.273 ( 0.421 -0.748 0.000) 0.859 3.431 ( -4.824 1.188 0.000) 4.968 4.063 ( 1.252 0.594 0.000) 1.386 4.074 ( 0.725 0.193 0.000) 0.750 4.156 ( -1.283 -0.051 0.000) 1.284 4.158 ( -1.452 0.078 0.000) 1.454 4.345 ( -3.973 1.144 0.000) 4.135 4.459 ( 1.188 -4.679 0.000) 4.828 4.482 ( -0.067 0.148 0.000) 0.162 4.603 ( -2.672 -0.598 0.000) 2.738 4.653 ( -1.534 -1.246 0.000) 1.977 4.779 ( -2.064 -1.361 0.000) 2.473 4.888 ( 2.734 2.593 0.000) 3.768 4.898 ( -5.066 0.149 0.000) 5.068 4.933 ( -2.409 2.822 0.000) 3.710 5.127 ( 4.861 -0.048 0.000) 4.861 5.176 ( -4.039 0.074 0.000) 4.040 5.203 ( 0.450 -5.205 0.000) 5.224 5.239 ( 4.015 -0.595 0.000) 4.059 5.354 ( 4.665 0.067 0.000) 4.666 5.509 ( 0.135 -0.365 0.000) 0.389 5.600 ( 4.976 0.147 0.000) 4.979 5.720 ( -0.100 -1.833 0.000) 1.836 5.806 ( 3.091 -0.384 0.000) 3.115 ======================= Grid point 20 (14/86) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -10.742 1.215 0.000) 10.810 1.507 ( -9.377 -7.617 0.000) 12.081 1.532 ( -1.677 -0.563 0.000) 1.769 1.626 ( -4.278 0.368 0.000) 4.294 1.650 ( -3.562 -5.945 0.000) 6.930 1.663 ( 0.738 -1.770 0.000) 1.918 1.728 ( -0.460 -2.596 0.000) 2.636 1.794 ( -1.821 0.226 0.000) 1.834 1.823 ( -1.678 0.702 0.000) 1.819 1.896 ( -6.879 -5.711 0.000) 8.940 1.959 ( -0.882 2.501 0.000) 2.652 2.075 ( -2.431 -3.459 0.000) 4.228 2.244 ( 2.050 4.856 0.000) 5.271 2.312 ( 3.936 -7.176 0.000) 8.185 2.485 ( -3.219 2.042 0.000) 3.812 2.574 ( 1.697 2.540 0.000) 3.055 2.650 ( -1.870 1.313 0.000) 2.285 2.660 ( -4.104 4.142 0.000) 5.831 2.737 ( -1.522 -0.185 0.000) 1.533 2.835 ( -3.865 -1.024 0.000) 3.999 2.892 ( -1.417 0.481 0.000) 1.496 2.957 ( 0.318 -0.469 0.000) 0.567 3.031 ( -9.496 2.981 0.000) 9.953 3.078 ( -10.097 7.155 0.000) 12.375 3.201 ( -2.575 2.929 0.000) 3.900 3.375 ( -0.544 -0.950 0.000) 1.095 4.092 ( 0.172 1.062 0.000) 1.075 4.107 ( 0.023 -0.263 0.000) 0.264 4.108 ( -0.542 0.586 0.000) 0.798 4.115 ( -1.072 0.592 0.000) 1.224 4.316 ( 2.264 0.031 0.000) 2.264 4.482 ( 1.073 1.595 0.000) 1.922 4.511 ( 0.326 -5.253 0.000) 5.263 4.575 ( 0.003 -0.251 0.000) 0.251 4.693 ( 4.016 -2.133 0.000) 4.547 4.740 ( -2.394 -1.289 0.000) 2.719 4.818 ( -2.172 0.007 0.000) 2.172 4.871 ( -3.063 3.035 0.000) 4.312 4.879 ( -1.819 1.968 0.000) 2.680 5.098 ( -3.772 0.197 0.000) 3.777 5.209 ( 3.183 0.178 0.000) 3.188 5.255 ( 1.726 -6.840 0.000) 7.054 5.313 ( 2.034 -1.914 0.000) 2.793 5.442 ( 4.036 0.063 0.000) 4.036 5.516 ( 0.055 -0.855 0.000) 0.857 5.711 ( 5.881 0.344 0.000) 5.891 5.740 ( 0.653 -3.146 0.000) 3.213 5.882 ( 3.901 -0.217 0.000) 3.907 ======================= Grid point 21 (15/86) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -12.885 3.049 0.000) 13.241 1.258 ( -17.329 -5.344 0.000) 18.135 1.478 ( -4.096 1.137 0.000) 4.251 1.506 ( -7.896 0.086 0.000) 7.896 1.660 ( -0.072 -4.337 0.000) 4.337 1.666 ( -2.030 -3.828 0.000) 4.333 1.717 ( -4.071 -2.982 0.000) 5.047 1.740 ( -6.999 -3.367 0.000) 7.767 1.774 ( -0.427 0.721 0.000) 0.838 1.809 ( -0.022 -0.063 0.000) 0.067 1.982 ( 2.609 1.522 0.000) 3.021 2.074 ( -0.693 -2.522 0.000) 2.616 2.189 ( -8.777 2.042 0.000) 9.011 2.275 ( -10.974 6.439 0.000) 12.723 2.383 ( -2.936 -4.727 0.000) 5.564 2.506 ( -14.557 1.145 0.000) 14.602 2.567 ( -6.618 2.238 0.000) 6.986 2.603 ( -1.336 2.933 0.000) 3.223 2.616 ( -4.170 0.134 0.000) 4.172 2.758 ( -4.485 2.172 0.000) 4.983 2.812 ( -5.792 -0.449 0.000) 5.809 2.868 ( -1.928 0.203 0.000) 1.939 2.924 ( 1.342 -0.971 0.000) 1.657 2.971 ( 0.005 -0.573 0.000) 0.573 3.171 ( -0.026 1.962 0.000) 1.962 3.367 ( -0.615 0.142 0.000) 0.631 4.014 ( -4.462 0.566 0.000) 4.498 4.035 ( -3.663 -0.117 0.000) 3.665 4.165 ( 3.587 1.285 0.000) 3.810 4.179 ( 3.625 -0.195 0.000) 3.630 4.393 ( 4.582 1.862 0.000) 4.946 4.506 ( 2.265 3.514 0.000) 4.181 4.509 ( -2.695 -2.820 0.000) 3.901 4.608 ( 0.166 -0.535 0.000) 0.560 4.707 ( -1.586 -1.251 0.000) 2.020 4.746 ( 0.098 -0.471 0.000) 0.481 4.748 ( -5.164 0.734 0.000) 5.216 4.820 ( -1.113 -0.757 0.000) 1.346 4.898 ( 7.796 0.027 0.000) 7.796 5.030 ( -2.874 0.076 0.000) 2.875 5.245 ( 0.587 0.418 0.000) 0.720 5.324 ( 0.741 -0.061 0.000) 0.744 5.367 ( 2.320 -10.272 0.000) 10.531 5.510 ( 2.739 -0.053 0.000) 2.740 5.515 ( -0.817 -1.552 0.000) 1.754 5.777 ( 1.111 -3.571 0.000) 3.740 5.821 ( 5.616 1.112 0.000) 5.725 5.949 ( 2.918 1.163 0.000) 3.141 ======================= Grid point 22 (16/86) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -14.317 5.713 0.000) 15.414 0.910 ( -19.078 -0.316 0.000) 19.080 1.299 ( -10.705 3.229 0.000) 11.181 1.379 ( -5.448 1.421 0.000) 5.630 1.561 ( -9.191 -4.370 0.000) 10.176 1.611 ( -7.461 5.104 0.000) 9.040 1.665 ( -11.475 2.695 0.000) 11.787 1.671 ( 0.426 -4.366 0.000) 4.387 1.766 ( -13.824 8.074 0.000) 16.010 1.777 ( -0.833 -0.533 0.000) 0.989 1.849 ( 1.678 -3.079 0.000) 3.506 1.996 ( -2.803 -2.041 0.000) 3.467 2.008 ( -9.958 0.886 0.000) 9.997 2.154 ( -4.231 -6.873 0.000) 8.071 2.218 ( -9.712 -1.548 0.000) 9.835 2.223 ( -11.024 -2.456 0.000) 11.294 2.378 ( -7.782 4.946 0.000) 9.220 2.481 ( -8.450 -3.675 0.000) 9.215 2.576 ( -3.927 4.883 0.000) 6.266 2.674 ( 0.876 3.550 0.000) 3.656 2.838 ( -0.856 -0.012 0.000) 0.856 2.843 ( 3.980 -4.484 0.000) 5.996 2.968 ( -0.265 0.317 0.000) 0.414 3.042 ( 6.318 -3.103 0.000) 7.039 3.170 ( 0.515 -0.523 0.000) 0.734 3.358 ( 0.357 1.505 0.000) 1.547 3.900 ( -8.584 -0.540 0.000) 8.601 3.962 ( -4.160 -1.098 0.000) 4.303 4.209 ( 0.655 0.424 0.000) 0.780 4.230 ( 0.971 -1.066 0.000) 1.442 4.399 ( -9.516 2.321 0.000) 9.795 4.448 ( 0.190 2.434 0.000) 2.442 4.492 ( -2.915 1.854 0.000) 3.454 4.493 ( -1.831 0.861 0.000) 2.023 4.699 ( 0.201 -1.422 0.000) 1.436 4.770 ( 3.027 0.155 0.000) 3.031 4.824 ( 7.100 -3.381 0.000) 7.864 4.832 ( 0.967 -4.901 0.000) 4.995 4.986 ( -1.446 0.182 0.000) 1.457 5.073 ( 8.636 1.549 0.000) 8.774 5.223 ( -2.332 0.983 0.000) 2.530 5.310 ( -1.160 1.220 0.000) 1.684 5.478 ( 2.154 -3.706 0.000) 4.286 5.524 ( 1.151 -7.908 0.000) 7.991 5.549 ( 1.098 -0.261 0.000) 1.128 5.823 ( 1.556 -3.136 0.000) 3.501 5.926 ( 6.149 2.434 0.000) 6.613 5.986 ( 2.157 3.166 0.000) 3.832 ======================= Grid point 23 (17/86) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -13.711 10.314 0.000) 17.157 0.523 ( -16.172 9.561 0.000) 18.787 1.035 ( -29.829 22.346 0.000) 37.271 1.080 ( -7.734 6.036 0.000) 9.811 1.231 ( -8.519 2.985 0.000) 9.027 1.388 ( -10.371 2.289 0.000) 10.620 1.480 ( -2.241 -4.955 0.000) 5.438 1.683 ( -4.926 -0.869 0.000) 5.002 1.720 ( -9.328 -5.857 0.000) 11.014 1.738 ( 0.988 -3.765 0.000) 3.892 1.782 ( -2.869 0.222 0.000) 2.878 1.888 ( 0.007 -1.273 0.000) 1.273 1.915 ( -5.077 -8.929 0.000) 10.271 2.123 ( -2.243 -2.107 0.000) 3.077 2.128 ( -0.429 -2.141 0.000) 2.183 2.153 ( -0.236 -0.711 0.000) 0.749 2.238 ( -2.100 8.613 0.000) 8.865 2.313 ( -9.084 -2.369 0.000) 9.388 2.486 ( -2.280 0.523 0.000) 2.339 2.699 ( 1.844 1.931 0.000) 2.670 2.822 ( -0.355 -0.104 0.000) 0.370 2.934 ( 0.778 -1.968 0.000) 2.117 2.981 ( 2.502 -2.447 0.000) 3.500 3.130 ( 1.888 2.969 0.000) 3.519 3.226 ( 3.032 -6.638 0.000) 7.298 3.362 ( 1.219 2.890 0.000) 3.136 3.637 ( -16.162 -0.366 0.000) 16.167 3.871 ( -7.542 -5.267 0.000) 9.199 4.170 ( -3.281 -0.848 0.000) 3.389 4.232 ( -3.236 -5.802 0.000) 6.643 4.269 ( -1.556 2.190 0.000) 2.686 4.379 ( -9.402 -5.396 0.000) 10.841 4.412 ( -1.097 2.701 0.000) 2.916 4.506 ( 1.749 2.998 0.000) 3.471 4.707 ( -0.010 0.554 0.000) 0.554 4.859 ( 5.255 0.155 0.000) 5.257 4.896 ( 1.586 -6.051 0.000) 6.255 4.946 ( 0.901 -1.524 0.000) 1.770 4.994 ( 3.775 -1.654 0.000) 4.121 5.150 ( -1.525 2.123 0.000) 2.614 5.189 ( 0.775 -0.392 0.000) 0.868 5.284 ( 0.808 4.163 0.000) 4.241 5.497 ( 0.356 -0.281 0.000) 0.453 5.561 ( 0.130 -0.225 0.000) 0.260 5.629 ( 2.887 -6.988 0.000) 7.561 5.870 ( 1.304 -2.680 0.000) 2.980 6.000 ( 1.361 4.369 0.000) 4.576 6.041 ( 7.204 3.530 0.000) 8.022 ======================= Grid point 24 (18/86) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 0.000 18.481 0.000) 18.481 0.294 ( 0.000 25.710 0.000) 25.710 0.393 ( 0.000 34.474 0.000) 34.474 0.961 ( 0.000 6.087 0.000) 6.087 1.091 ( 0.000 3.597 0.000) 3.597 1.261 ( 0.000 0.475 0.000) 0.475 1.534 ( -0.000 -0.261 0.000) 0.261 1.545 ( -0.000 -6.786 0.000) 6.786 1.630 ( -0.000 -1.175 0.000) 1.175 1.781 ( -0.000 -1.855 0.000) 1.855 1.798 ( -0.000 -0.742 0.000) 0.742 1.898 ( -0.000 -0.703 0.000) 0.703 1.920 ( -0.000 -11.561 0.000) 11.561 2.111 ( -0.000 -1.425 0.000) 1.425 2.134 ( 0.000 2.731 0.000) 2.731 2.158 ( -0.000 -0.240 0.000) 0.240 2.176 ( 0.000 9.413 0.000) 9.413 2.213 ( -0.000 -2.405 0.000) 2.405 2.506 ( -0.000 -5.212 0.000) 5.212 2.707 ( 0.000 1.850 0.000) 1.850 2.822 ( -0.000 -0.303 0.000) 0.303 2.935 ( 0.000 0.692 0.000) 0.692 3.039 ( -0.000 -4.309 0.000) 4.309 3.126 ( 0.000 4.794 0.000) 4.794 3.305 ( -0.000 -6.327 0.000) 6.327 3.417 ( 0.000 0.331 0.000) 0.331 3.438 ( 0.000 0.192 0.000) 0.192 3.554 ( -0.000 -0.534 0.000) 0.534 4.087 ( -0.000 -0.381 0.000) 0.381 4.139 ( -0.000 -0.176 0.000) 0.176 4.253 ( 0.000 0.027 0.000) 0.027 4.290 ( -0.000 -0.173 0.000) 0.173 4.381 ( 0.000 3.561 0.000) 3.561 4.509 ( 0.000 2.400 0.000) 2.400 4.694 ( 0.000 1.681 0.000) 1.681 4.921 ( -0.000 -2.116 0.000) 2.116 4.945 ( -0.000 -1.910 0.000) 1.910 4.950 ( -0.000 -0.231 0.000) 0.231 5.056 ( -0.000 -2.214 0.000) 2.214 5.141 ( 0.000 0.114 0.000) 0.114 5.179 ( 0.000 0.106 0.000) 0.106 5.276 ( 0.000 3.135 0.000) 3.135 5.503 ( -0.000 -0.208 0.000) 0.208 5.562 ( -0.000 -0.131 0.000) 0.131 5.690 ( -0.000 -2.293 0.000) 2.293 5.899 ( -0.000 -2.605 0.000) 2.605 5.989 ( 0.000 4.224 0.000) 4.224 6.165 ( -0.000 -0.911 0.000) 0.911 ======================= Grid point 27 (19/86) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 12.445 -0.000 0.000) 12.445 1.534 ( 2.814 -0.000 0.000) 2.814 1.609 ( 1.498 -0.000 0.000) 1.498 1.695 ( 2.557 -0.000 0.000) 2.557 1.722 ( -1.001 0.000 0.000) 1.001 1.725 ( 5.063 -0.000 0.000) 5.063 1.794 ( 1.447 -0.000 0.000) 1.447 1.812 ( 9.212 -0.000 0.000) 9.212 1.824 ( -2.701 0.000 0.000) 2.701 1.915 ( 2.336 -0.000 0.000) 2.336 2.022 ( 6.809 -0.000 0.000) 6.809 2.025 ( 2.659 -0.000 0.000) 2.659 2.344 ( 10.360 -0.000 0.000) 10.360 2.415 ( 0.307 -0.000 0.000) 0.307 2.489 ( -5.512 0.000 0.000) 5.512 2.495 ( -1.706 0.000 0.000) 1.706 2.542 ( 0.644 -0.000 0.000) 0.644 2.602 ( 4.341 -0.000 0.000) 4.341 2.683 ( -8.515 0.000 0.000) 8.515 2.869 ( 6.555 -0.000 0.000) 6.555 2.876 ( 1.370 -0.000 0.000) 1.370 2.926 ( 12.453 -0.000 0.000) 12.453 2.959 ( 6.576 -0.000 0.000) 6.576 2.983 ( -0.377 0.000 0.000) 0.377 3.151 ( 0.975 -0.000 0.000) 0.975 3.391 ( 1.018 -0.000 0.000) 1.018 4.087 ( -2.008 0.000 0.000) 2.008 4.089 ( 4.387 -0.000 0.000) 4.387 4.105 ( -2.821 0.000 0.000) 2.821 4.108 ( 3.211 -0.000 0.000) 3.211 4.314 ( -1.222 0.000 0.000) 1.222 4.445 ( 0.940 -0.000 0.000) 0.940 4.579 ( -0.806 0.000 0.000) 0.806 4.630 ( 1.965 -0.000 0.000) 1.965 4.723 ( -3.742 0.000 0.000) 3.742 4.773 ( 2.851 -0.000 0.000) 2.851 4.790 ( 1.229 -0.000 0.000) 1.229 4.793 ( 2.631 -0.000 0.000) 2.631 4.864 ( 0.319 -0.000 0.000) 0.319 5.094 ( 3.718 -0.000 0.000) 3.718 5.205 ( -2.939 0.000 0.000) 2.939 5.299 ( -2.153 0.000 0.000) 2.153 5.440 ( -3.028 0.000 0.000) 3.028 5.441 ( -4.044 0.000 0.000) 4.044 5.626 ( -3.890 0.000 0.000) 3.890 5.627 ( -4.202 0.000 0.000) 4.202 5.804 ( -2.200 0.000 0.000) 2.200 5.891 ( -2.650 0.000 0.000) 2.650 ======================= Grid point 28 (20/86) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 9.071 0.140 0.000) 9.072 1.570 ( 1.436 -0.002 0.000) 1.436 1.620 ( 0.096 -0.125 0.000) 0.157 1.685 ( -0.633 0.117 0.000) 0.644 1.704 ( -1.007 1.453 0.000) 1.768 1.744 ( -3.639 -1.661 0.000) 4.000 1.777 ( 0.011 3.091 0.000) 3.091 1.783 ( -0.344 1.542 0.000) 1.580 1.960 ( 1.049 -3.051 0.000) 3.227 2.030 ( 5.715 -0.132 0.000) 5.716 2.063 ( -1.728 0.682 0.000) 1.858 2.116 ( 6.704 2.776 0.000) 7.256 2.320 ( -6.720 4.778 0.000) 8.245 2.350 ( -7.281 1.529 0.000) 7.440 2.430 ( -2.052 -5.720 0.000) 6.077 2.496 ( 3.576 0.085 0.000) 3.577 2.552 ( 0.121 -3.003 0.000) 3.006 2.653 ( 0.998 -0.327 0.000) 1.051 2.657 ( 3.454 -0.796 0.000) 3.545 2.899 ( 1.029 -0.280 0.000) 1.066 2.954 ( 2.533 1.968 0.000) 3.208 2.966 ( -0.968 0.412 0.000) 1.052 3.087 ( 5.701 -1.063 0.000) 5.799 3.126 ( 5.417 -0.223 0.000) 5.421 3.230 ( 7.624 -1.469 0.000) 7.764 3.397 ( -0.280 -0.160 0.000) 0.323 4.061 ( -0.629 0.126 0.000) 0.642 4.073 ( -0.467 0.031 0.000) 0.468 4.160 ( 1.763 0.055 0.000) 1.763 4.166 ( 2.707 0.122 0.000) 2.710 4.309 ( 0.612 -0.402 0.000) 0.732 4.468 ( 1.043 -0.211 0.000) 1.064 4.589 ( 0.397 0.981 0.000) 1.058 4.642 ( 0.299 1.461 0.000) 1.491 4.686 ( -0.066 0.294 0.000) 0.301 4.782 ( -1.266 -1.915 0.000) 2.296 4.815 ( -0.171 0.423 0.000) 0.456 4.856 ( 4.678 -0.617 0.000) 4.719 4.914 ( 4.676 0.057 0.000) 4.676 5.126 ( -4.859 -0.010 0.000) 4.859 5.174 ( 4.280 -0.031 0.000) 4.280 5.237 ( -3.988 0.021 0.000) 3.988 5.353 ( -4.691 -0.012 0.000) 4.691 5.354 ( -5.270 1.405 0.000) 5.454 5.542 ( -2.161 1.793 0.000) 2.808 5.565 ( -3.516 -1.887 0.000) 3.990 5.760 ( -2.065 0.268 0.000) 2.082 5.825 ( -3.338 0.307 0.000) 3.352 ======================= Grid point 29 (21/86) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -1.734 0.358 0.000) 1.770 1.607 ( 1.788 0.004 0.000) 1.788 1.662 ( -1.974 0.851 0.000) 2.149 1.672 ( -6.383 6.040 0.000) 8.787 1.685 ( -2.186 -0.635 0.000) 2.276 1.687 ( 0.670 -0.329 0.000) 0.747 1.726 ( 5.667 -0.360 0.000) 5.678 1.762 ( -2.452 0.108 0.000) 2.454 1.950 ( -3.841 -5.402 0.000) 6.628 2.008 ( -3.873 -1.095 0.000) 4.025 2.106 ( 1.484 -0.648 0.000) 1.619 2.153 ( 0.833 3.466 0.000) 3.565 2.204 ( -6.320 0.596 0.000) 6.348 2.223 ( -3.070 -2.595 0.000) 4.020 2.476 ( 4.707 0.277 0.000) 4.715 2.522 ( 0.684 1.142 0.000) 1.332 2.590 ( 0.094 -5.002 0.000) 5.003 2.664 ( 0.333 -0.258 0.000) 0.421 2.740 ( 4.567 0.787 0.000) 4.634 2.920 ( 0.914 -0.277 0.000) 0.955 2.944 ( -1.013 0.337 0.000) 1.068 2.961 ( -0.179 2.759 0.000) 2.765 3.182 ( 3.169 -0.108 0.000) 3.171 3.204 ( 3.272 -0.554 0.000) 3.318 3.323 ( 0.559 4.743 0.000) 4.776 3.431 ( 2.588 -3.975 0.000) 4.744 4.057 ( 0.318 0.371 0.000) 0.489 4.073 ( 0.190 0.252 0.000) 0.316 4.173 ( -0.233 0.051 0.000) 0.238 4.184 ( -0.329 0.913 0.000) 0.971 4.340 ( 1.482 -2.221 0.000) 2.670 4.481 ( 0.086 -0.109 0.000) 0.139 4.513 ( -5.784 2.361 0.000) 6.247 4.637 ( -1.864 -1.365 0.000) 2.310 4.685 ( -1.059 -0.176 0.000) 1.074 4.797 ( -1.445 -0.458 0.000) 1.516 4.824 ( 4.902 0.114 0.000) 4.903 4.958 ( 4.438 0.789 0.000) 4.507 5.018 ( -3.578 0.078 0.000) 3.579 5.022 ( 3.714 -0.085 0.000) 3.715 5.154 ( -3.890 -1.202 0.000) 4.071 5.243 ( -3.891 0.952 0.000) 4.005 5.260 ( -3.411 0.019 0.000) 3.411 5.263 ( 3.528 -0.040 0.000) 3.528 5.515 ( -0.975 0.071 0.000) 0.978 5.536 ( 1.089 -0.138 0.000) 1.097 5.722 ( -1.663 -0.240 0.000) 1.680 5.779 ( -0.693 0.263 0.000) 0.741 ======================= Grid point 30 (22/86) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -6.072 -1.280 0.000) 6.205 1.540 ( -5.241 -0.089 0.000) 5.242 1.552 ( -3.894 -0.632 0.000) 3.945 1.645 ( -0.376 0.294 0.000) 0.477 1.677 ( 1.113 0.914 0.000) 1.441 1.686 ( -5.902 -3.548 0.000) 6.886 1.709 ( 0.751 0.438 0.000) 0.870 1.818 ( 2.995 0.693 0.000) 3.074 1.864 ( -6.341 -2.353 0.000) 6.763 1.925 ( -4.978 -4.000 0.000) 6.386 2.060 ( -4.589 1.396 0.000) 4.796 2.111 ( -4.759 -1.228 0.000) 4.915 2.156 ( 0.346 -4.402 0.000) 4.416 2.258 ( 6.446 5.295 0.000) 8.342 2.496 ( -1.941 -1.352 0.000) 2.365 2.565 ( 3.164 1.601 0.000) 3.546 2.655 ( 3.757 -4.269 0.000) 5.687 2.673 ( 0.395 0.182 0.000) 0.435 2.790 ( 0.362 2.677 0.000) 2.702 2.918 ( -2.872 1.933 0.000) 3.462 2.922 ( -1.070 0.256 0.000) 1.100 2.938 ( 0.701 -0.305 0.000) 0.764 3.196 ( -1.890 1.614 0.000) 2.485 3.261 ( 0.948 -1.013 0.000) 1.388 3.276 ( -0.893 6.185 0.000) 6.249 3.437 ( -3.952 -0.255 0.000) 3.960 4.070 ( 1.406 0.591 0.000) 1.525 4.077 ( 0.584 0.193 0.000) 0.615 4.159 ( -1.391 0.521 0.000) 1.485 4.160 ( -1.094 0.267 0.000) 1.126 4.355 ( -3.324 0.463 0.000) 3.356 4.412 ( -0.873 -3.412 0.000) 3.522 4.482 ( 0.158 -0.237 0.000) 0.285 4.597 ( -2.086 -0.396 0.000) 2.123 4.641 ( -2.286 -0.870 0.000) 2.446 4.765 ( -2.238 -1.109 0.000) 2.498 4.897 ( -5.491 -0.123 0.000) 5.492 4.912 ( 3.102 1.635 0.000) 3.506 4.972 ( -1.832 3.827 0.000) 4.242 5.123 ( 3.487 -1.128 0.000) 3.665 5.145 ( 0.770 -4.326 0.000) 4.394 5.177 ( -3.920 0.043 0.000) 3.920 5.236 ( 3.319 -0.156 0.000) 3.323 5.355 ( 4.658 0.055 0.000) 4.658 5.505 ( 0.011 -0.190 0.000) 0.190 5.600 ( 4.847 -0.081 0.000) 4.848 5.701 ( -0.872 -1.459 0.000) 1.700 5.803 ( 2.930 -0.186 0.000) 2.936 ======================= Grid point 31 (23/86) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -9.713 1.479 0.000) 9.825 1.430 ( -8.169 -5.836 0.000) 10.040 1.521 ( -1.422 -1.295 0.000) 1.923 1.574 ( -5.126 -6.700 0.000) 8.436 1.626 ( -3.610 -0.364 0.000) 3.629 1.651 ( -1.923 -0.459 0.000) 1.977 1.712 ( -1.136 -0.482 0.000) 1.234 1.795 ( -0.371 -0.616 0.000) 0.719 1.828 ( -2.053 0.136 0.000) 2.057 1.835 ( -7.169 -4.439 0.000) 8.432 1.992 ( -0.056 3.277 0.000) 3.277 2.032 ( -4.019 -3.232 0.000) 5.157 2.233 ( 3.902 -6.629 0.000) 7.692 2.320 ( 1.878 7.249 0.000) 7.488 2.486 ( -0.001 -0.945 0.000) 0.945 2.609 ( 2.135 2.618 0.000) 3.378 2.663 ( -1.468 0.939 0.000) 1.743 2.693 ( -4.803 1.456 0.000) 5.018 2.735 ( -1.694 0.443 0.000) 1.751 2.828 ( -4.716 -0.164 0.000) 4.719 2.897 ( -1.351 0.343 0.000) 1.394 2.952 ( 0.491 -0.477 0.000) 0.684 3.065 ( -10.067 2.935 0.000) 10.486 3.150 ( -10.996 5.117 0.000) 12.128 3.238 ( -2.165 3.287 0.000) 3.936 3.365 ( -0.678 -0.730 0.000) 0.996 4.103 ( 1.232 -0.354 0.000) 1.282 4.106 ( 1.101 1.389 0.000) 1.772 4.118 ( -1.785 1.113 0.000) 2.104 4.121 ( -1.258 0.453 0.000) 1.337 4.316 ( 2.185 0.108 0.000) 2.188 4.452 ( 0.689 -5.118 0.000) 5.164 4.497 ( 1.747 0.731 0.000) 1.894 4.572 ( -0.409 -0.249 0.000) 0.479 4.666 ( 3.895 -2.397 0.000) 4.573 4.726 ( -2.154 -1.235 0.000) 2.483 4.815 ( -2.121 -0.403 0.000) 2.159 4.903 ( -3.180 2.375 0.000) 3.970 4.908 ( -2.622 3.126 0.000) 4.080 5.100 ( -3.807 0.198 0.000) 3.812 5.166 ( 0.240 -7.743 0.000) 7.747 5.211 ( 3.160 0.145 0.000) 3.164 5.305 ( 2.441 -0.239 0.000) 2.452 5.442 ( 4.027 0.059 0.000) 4.027 5.510 ( 0.032 -0.385 0.000) 0.386 5.706 ( 0.182 -2.806 0.000) 2.811 5.711 ( 5.784 -0.275 0.000) 5.791 5.881 ( 4.307 -0.116 0.000) 4.309 ======================= Grid point 32 (24/86) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -11.324 3.640 0.000) 11.895 1.219 ( -13.437 -1.245 0.000) 13.494 1.490 ( -3.186 0.860 0.000) 3.300 1.506 ( -6.823 -0.033 0.000) 6.823 1.586 ( -0.458 -7.460 0.000) 7.474 1.620 ( -3.140 -4.075 0.000) 5.145 1.672 ( -7.895 -4.744 0.000) 9.210 1.710 ( -2.173 -2.630 0.000) 3.412 1.773 ( -1.921 -0.881 0.000) 2.113 1.827 ( 1.731 1.614 0.000) 2.367 1.993 ( -2.576 -7.456 0.000) 7.889 2.004 ( 1.720 2.377 0.000) 2.934 2.247 ( -6.151 6.217 0.000) 8.745 2.327 ( -0.515 -4.894 0.000) 4.921 2.347 ( -11.882 4.602 0.000) 12.742 2.531 ( -15.443 3.186 0.000) 15.768 2.591 ( -5.645 1.962 0.000) 5.976 2.609 ( -6.800 -1.242 0.000) 6.913 2.643 ( 0.419 4.012 0.000) 4.033 2.777 ( -1.584 1.151 0.000) 1.959 2.816 ( -8.948 1.187 0.000) 9.026 2.870 ( -1.974 0.218 0.000) 1.986 2.921 ( -3.083 0.776 0.000) 3.179 2.964 ( 0.309 -0.574 0.000) 0.652 3.191 ( -1.432 1.401 0.000) 2.003 3.367 ( 0.041 -0.132 0.000) 0.138 4.023 ( -4.963 1.030 0.000) 5.069 4.038 ( -3.733 0.842 0.000) 3.827 4.172 ( 3.045 -0.956 0.000) 3.192 4.177 ( 3.405 0.714 0.000) 3.479 4.412 ( 5.533 1.296 0.000) 5.683 4.476 ( -0.455 -2.798 0.000) 2.835 4.543 ( 3.458 2.734 0.000) 4.408 4.595 ( 1.515 -1.597 0.000) 2.201 4.694 ( -1.987 -0.964 0.000) 2.209 4.737 ( 1.165 -1.114 0.000) 1.612 4.763 ( -8.289 1.641 0.000) 8.450 4.816 ( -4.516 -0.090 0.000) 4.517 4.892 ( 8.708 -0.920 0.000) 8.756 5.030 ( -2.934 0.032 0.000) 2.935 5.240 ( 2.001 -6.839 0.000) 7.126 5.257 ( 1.673 -2.317 0.000) 2.858 5.328 ( 0.121 0.063 0.000) 0.137 5.506 ( -0.682 -0.428 0.000) 0.805 5.509 ( 2.592 -0.071 0.000) 2.593 5.738 ( 1.328 -3.215 0.000) 3.479 5.826 ( 5.705 -0.130 0.000) 5.707 5.961 ( 3.842 0.938 0.000) 3.955 ======================= Grid point 33 (25/86) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -11.808 6.954 0.000) 13.703 0.943 ( -12.357 6.416 0.000) 13.924 1.336 ( -8.549 3.218 0.000) 9.134 1.395 ( -5.502 1.284 0.000) 5.650 1.504 ( -8.993 -5.144 0.000) 10.360 1.607 ( -3.165 -6.849 0.000) 7.545 1.615 ( -0.014 -5.426 0.000) 5.427 1.687 ( -4.457 5.759 0.000) 7.282 1.762 ( -1.191 -2.080 0.000) 2.397 1.817 ( 0.310 -1.911 0.000) 1.936 1.929 ( -19.733 15.229 0.000) 24.926 1.982 ( -5.738 -0.335 0.000) 5.748 2.000 ( -7.692 -4.772 0.000) 9.052 2.071 ( -9.110 -4.018 0.000) 9.957 2.192 ( -11.089 -3.114 0.000) 11.518 2.216 ( -8.573 1.016 0.000) 8.633 2.428 ( -11.127 -5.647 0.000) 12.478 2.435 ( -5.732 4.984 0.000) 7.596 2.625 ( -1.773 3.397 0.000) 3.832 2.721 ( -0.900 4.400 0.000) 4.491 2.793 ( 3.284 -3.907 0.000) 5.104 2.840 ( -1.214 0.174 0.000) 1.227 2.970 ( 0.240 0.170 0.000) 0.294 3.003 ( 6.017 -3.826 0.000) 7.130 3.165 ( -0.728 -0.276 0.000) 0.779 3.373 ( 0.974 0.985 0.000) 1.385 3.894 ( -9.197 -0.498 0.000) 9.210 3.953 ( -5.148 -0.416 0.000) 5.165 4.209 ( -0.812 -0.464 0.000) 0.936 4.210 ( -0.610 -2.381 0.000) 2.458 4.430 ( -5.719 3.039 0.000) 6.476 4.472 ( -4.558 1.605 0.000) 4.833 4.509 ( 2.331 2.066 0.000) 3.115 4.511 ( -7.423 1.391 0.000) 7.552 4.687 ( 2.826 -0.711 0.000) 2.914 4.763 ( 0.792 -1.568 0.000) 1.756 4.782 ( 6.515 -4.020 0.000) 7.655 4.789 ( 2.075 -1.969 0.000) 2.860 4.987 ( -1.448 -0.000 0.000) 1.448 5.084 ( 8.353 0.465 0.000) 8.366 5.237 ( -1.662 1.515 0.000) 2.248 5.321 ( 0.025 0.409 0.000) 0.410 5.383 ( 5.181 -9.321 0.000) 10.663 5.494 ( -0.499 -0.597 0.000) 0.778 5.545 ( 1.011 -0.323 0.000) 1.062 5.791 ( 2.109 -2.599 0.000) 3.347 5.943 ( 6.260 0.622 0.000) 6.290 6.020 ( 3.154 2.800 0.000) 4.218 ======================= Grid point 34 (26/86) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -9.595 11.963 0.000) 15.336 0.688 ( -4.961 18.258 0.000) 18.920 1.156 ( -5.931 6.853 0.000) 9.064 1.267 ( -6.601 3.070 0.000) 7.280 1.290 ( -22.811 20.299 0.000) 30.535 1.414 ( -9.575 -0.001 0.000) 9.575 1.432 ( -6.828 0.728 0.000) 6.867 1.657 ( -7.541 -5.223 0.000) 9.173 1.664 ( 0.008 -3.622 0.000) 3.622 1.688 ( -5.786 -3.690 0.000) 6.863 1.784 ( -4.104 -0.136 0.000) 4.106 1.824 ( -6.430 -6.919 0.000) 9.446 1.861 ( 0.498 -3.099 0.000) 3.139 2.081 ( -0.638 -6.458 0.000) 6.489 2.092 ( -2.794 -3.294 0.000) 4.320 2.137 ( -0.074 -1.638 0.000) 1.639 2.257 ( -9.038 -6.522 0.000) 11.145 2.330 ( -1.289 7.509 0.000) 7.619 2.532 ( -3.320 6.343 0.000) 7.159 2.720 ( 1.526 1.719 0.000) 2.299 2.821 ( -0.529 -0.125 0.000) 0.543 2.888 ( 2.604 -4.850 0.000) 5.505 2.975 ( 0.647 0.661 0.000) 0.925 3.130 ( 2.949 -7.772 0.000) 8.313 3.170 ( 1.540 1.585 0.000) 2.210 3.392 ( 1.610 2.185 0.000) 2.714 3.632 ( -15.587 -0.511 0.000) 15.596 3.807 ( -12.649 -5.645 0.000) 13.852 4.164 ( -2.592 -0.317 0.000) 2.611 4.166 ( -6.096 -4.779 0.000) 7.746 4.287 ( -3.754 0.975 0.000) 3.878 4.344 ( -7.083 -1.608 0.000) 7.263 4.453 ( 0.885 4.405 0.000) 4.493 4.543 ( 1.923 3.229 0.000) 3.758 4.729 ( 1.326 3.068 0.000) 3.342 4.821 ( 2.259 -5.628 0.000) 6.064 4.868 ( 4.564 -0.072 0.000) 4.564 4.919 ( 3.516 -3.289 0.000) 4.815 4.978 ( 0.871 -1.062 0.000) 1.374 5.163 ( -0.665 0.292 0.000) 0.726 5.192 ( -0.806 0.997 0.000) 1.282 5.328 ( 1.593 3.564 0.000) 3.904 5.494 ( 0.351 -0.389 0.000) 0.524 5.549 ( 5.617 -7.168 0.000) 9.107 5.558 ( 0.179 -0.295 0.000) 0.345 5.843 ( 1.633 -2.064 0.000) 2.632 6.051 ( 1.886 4.494 0.000) 4.873 6.065 ( 6.335 0.965 0.000) 6.408 ======================= Grid point 35 (27/86) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 16.885 0.000) 16.885 0.578 ( 0.000 24.381 0.000) 24.381 0.776 ( 0.000 33.176 0.000) 33.176 1.049 ( 0.000 8.771 0.000) 8.771 1.145 ( 0.000 5.590 0.000) 5.590 1.270 ( 0.000 0.981 0.000) 0.981 1.459 ( -0.000 -7.536 0.000) 7.536 1.527 ( -0.000 -1.071 0.000) 1.071 1.608 ( -0.000 -2.894 0.000) 2.894 1.752 ( -0.000 -2.983 0.000) 2.983 1.786 ( -0.000 -1.382 0.000) 1.382 1.788 ( -0.000 -11.422 0.000) 11.422 1.880 ( -0.000 -2.404 0.000) 2.404 2.083 ( -0.000 -3.202 0.000) 3.202 2.127 ( -0.000 -5.629 0.000) 5.629 2.154 ( -0.000 -0.535 0.000) 0.535 2.175 ( -0.000 -4.117 0.000) 4.117 2.279 ( 0.000 8.475 0.000) 8.475 2.477 ( 0.000 1.822 0.000) 1.822 2.729 ( 0.000 1.774 0.000) 1.774 2.818 ( -0.000 -0.343 0.000) 0.343 2.933 ( -0.000 -2.107 0.000) 2.107 2.991 ( -0.000 -2.510 0.000) 2.510 3.185 ( 0.000 3.963 0.000) 3.963 3.209 ( -0.000 -9.128 0.000) 9.128 3.422 ( 0.000 0.547 0.000) 0.547 3.441 ( 0.000 0.324 0.000) 0.324 3.544 ( -0.000 -1.213 0.000) 1.213 4.082 ( -0.000 -0.440 0.000) 0.440 4.137 ( -0.000 -0.108 0.000) 0.108 4.253 ( -0.000 -0.161 0.000) 0.161 4.286 ( -0.000 -0.513 0.000) 0.513 4.434 ( 0.000 5.430 0.000) 5.430 4.544 ( 0.000 3.465 0.000) 3.465 4.722 ( 0.000 3.167 0.000) 3.167 4.877 ( -0.000 -5.114 0.000) 5.114 4.930 ( -0.000 -0.830 0.000) 0.830 4.946 ( -0.000 -0.463 0.000) 0.463 5.022 ( -0.000 -3.730 0.000) 3.730 5.142 ( 0.000 0.199 0.000) 0.199 5.181 ( 0.000 0.180 0.000) 0.180 5.321 ( 0.000 4.468 0.000) 4.468 5.500 ( -0.000 -0.360 0.000) 0.360 5.560 ( -0.000 -0.209 0.000) 0.209 5.650 ( -0.000 -4.733 0.000) 4.733 5.872 ( -0.000 -2.086 0.000) 2.086 6.042 ( 0.000 4.981 0.000) 4.981 6.152 ( -0.000 -1.209 0.000) 1.209 ======================= Grid point 40 (28/86) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -2.079 0.000 0.000) 2.079 1.607 ( 1.967 -0.000 0.000) 1.967 1.670 ( -2.720 0.000 0.000) 2.720 1.678 ( -1.999 0.000 0.000) 1.999 1.685 ( 0.556 -0.000 0.000) 0.556 1.717 ( -7.975 0.000 0.000) 7.975 1.724 ( 6.644 -0.000 0.000) 6.644 1.762 ( -2.918 0.000 0.000) 2.918 1.910 ( -3.544 0.000 0.000) 3.544 2.002 ( -4.400 0.000 0.000) 4.400 2.102 ( 1.417 -0.000 0.000) 1.417 2.181 ( -1.729 0.000 0.000) 1.729 2.200 ( -0.310 0.000 0.000) 0.310 2.207 ( -7.037 0.000 0.000) 7.037 2.481 ( 6.571 -0.000 0.000) 6.571 2.543 ( -0.949 0.000 0.000) 0.949 2.544 ( 0.508 -0.000 0.000) 0.508 2.662 ( 0.422 -0.000 0.000) 0.422 2.744 ( 5.074 -0.000 0.000) 5.074 2.919 ( 0.967 -0.000 0.000) 0.967 2.946 ( -1.095 0.000 0.000) 1.095 2.977 ( -0.670 0.000 0.000) 0.670 3.182 ( 3.655 -0.000 0.000) 3.655 3.201 ( 3.149 -0.000 0.000) 3.149 3.378 ( -1.236 0.000 0.000) 1.236 3.380 ( 5.780 -0.000 0.000) 5.780 4.059 ( 0.343 -0.000 0.000) 0.343 4.074 ( 0.221 -0.000 0.000) 0.221 4.174 ( -0.270 0.000 0.000) 0.270 4.190 ( -0.288 0.000 0.000) 0.288 4.327 ( 1.276 -0.000 0.000) 1.276 4.480 ( 0.144 -0.000 0.000) 0.144 4.528 ( -6.809 0.000 0.000) 6.809 4.628 ( -1.536 0.000 0.000) 1.536 4.684 ( -1.267 0.000 0.000) 1.267 4.794 ( -1.608 0.000 0.000) 1.608 4.825 ( 5.548 -0.000 0.000) 5.548 4.963 ( 5.201 -0.000 0.000) 5.201 5.018 ( -5.467 0.000 0.000) 5.467 5.021 ( 5.680 -0.000 0.000) 5.680 5.146 ( -4.768 0.000 0.000) 4.768 5.248 ( -4.426 0.000 0.000) 4.426 5.260 ( -4.502 0.000 0.000) 4.502 5.263 ( 4.637 -0.000 0.000) 4.637 5.515 ( -1.222 0.000 0.000) 1.222 5.535 ( 1.369 -0.000 0.000) 1.369 5.720 ( -1.894 0.000 0.000) 1.894 5.781 ( -0.825 0.000 0.000) 0.825 ======================= Grid point 41 (29/86) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -9.552 0.175 0.000) 9.554 1.539 ( -3.076 0.028 0.000) 3.077 1.547 ( -5.988 -0.294 0.000) 5.995 1.647 ( -1.243 0.035 0.000) 1.243 1.651 ( -7.059 -2.039 0.000) 7.348 1.687 ( 1.826 0.513 0.000) 1.897 1.713 ( 0.608 0.240 0.000) 0.654 1.823 ( 3.055 0.204 0.000) 3.062 1.853 ( -2.848 0.235 0.000) 2.857 1.887 ( -6.144 -2.362 0.000) 6.582 2.080 ( -3.268 2.266 0.000) 3.977 2.100 ( -5.587 -0.541 0.000) 5.613 2.112 ( -1.578 -3.379 0.000) 3.729 2.307 ( 8.810 2.655 0.000) 9.202 2.488 ( -3.318 -0.071 0.000) 3.318 2.566 ( 1.617 -1.095 0.000) 1.953 2.623 ( 6.121 -0.992 0.000) 6.201 2.675 ( 0.643 0.060 0.000) 0.646 2.810 ( 0.729 0.908 0.000) 1.164 2.924 ( -1.099 0.098 0.000) 1.103 2.932 ( -3.619 0.642 0.000) 3.675 2.936 ( 0.678 -0.116 0.000) 0.688 3.209 ( -1.406 0.538 0.000) 1.505 3.251 ( 1.328 -0.492 0.000) 1.416 3.335 ( -1.892 3.506 0.000) 3.984 3.426 ( -2.190 -1.159 0.000) 2.477 4.075 ( 1.422 0.209 0.000) 1.437 4.078 ( 0.417 0.076 0.000) 0.424 4.163 ( -0.718 0.166 0.000) 0.737 4.165 ( -1.542 0.448 0.000) 1.606 4.354 ( 0.473 -0.408 0.000) 0.624 4.388 ( -5.419 -0.857 0.000) 5.486 4.479 ( -0.017 -0.194 0.000) 0.195 4.594 ( -1.704 -0.140 0.000) 1.709 4.634 ( -2.562 -0.291 0.000) 2.578 4.756 ( -2.341 -0.436 0.000) 2.382 4.896 ( -5.615 -0.057 0.000) 5.616 4.925 ( 3.321 0.558 0.000) 3.367 5.017 ( -1.069 3.873 0.000) 4.018 5.081 ( -1.944 -4.298 0.000) 4.717 5.130 ( 4.909 -0.123 0.000) 4.911 5.177 ( -3.841 0.013 0.000) 3.841 5.234 ( 3.081 -0.051 0.000) 3.082 5.356 ( 4.654 0.021 0.000) 4.654 5.504 ( -0.046 -0.061 0.000) 0.076 5.599 ( 4.731 -0.058 0.000) 4.731 5.689 ( -1.316 -0.553 0.000) 1.428 5.801 ( 2.820 -0.054 0.000) 2.820 ======================= Grid point 42 (30/86) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -6.075 -3.081 0.000) 6.812 1.385 ( -8.832 1.219 0.000) 8.916 1.505 ( -1.566 -1.303 0.000) 2.037 1.510 ( -6.830 -4.134 0.000) 7.984 1.622 ( -2.064 -0.336 0.000) 2.091 1.649 ( -4.787 0.020 0.000) 4.787 1.715 ( -2.024 0.888 0.000) 2.211 1.768 ( -3.690 -3.443 0.000) 5.047 1.809 ( -4.867 -0.782 0.000) 4.929 1.828 ( -2.694 -0.112 0.000) 2.697 2.008 ( -3.225 -1.082 0.000) 3.402 2.032 ( 0.282 3.667 0.000) 3.678 2.165 ( 4.331 -5.345 0.000) 6.880 2.387 ( -1.250 3.654 0.000) 3.862 2.485 ( 4.059 1.751 0.000) 4.421 2.612 ( 1.833 -2.144 0.000) 2.821 2.671 ( -1.236 0.496 0.000) 1.332 2.704 ( -0.867 1.177 0.000) 1.462 2.746 ( -4.738 0.953 0.000) 4.833 2.830 ( -5.434 0.275 0.000) 5.441 2.900 ( -1.300 0.199 0.000) 1.315 2.947 ( 0.439 -0.301 0.000) 0.532 3.093 ( -9.847 1.848 0.000) 10.018 3.191 ( -9.432 2.290 0.000) 9.706 3.269 ( -3.332 1.995 0.000) 3.883 3.361 ( -1.298 0.038 0.000) 1.299 4.100 ( 1.527 -0.244 0.000) 1.546 4.117 ( 2.967 0.393 0.000) 2.993 4.129 ( -2.607 1.021 0.000) 2.799 4.131 ( -2.008 1.095 0.000) 2.287 4.319 ( 1.723 0.347 0.000) 1.758 4.400 ( 0.990 -3.683 0.000) 3.814 4.497 ( 2.014 -0.506 0.000) 2.077 4.569 ( -0.712 -0.154 0.000) 0.728 4.645 ( 3.596 -1.161 0.000) 3.779 4.713 ( -2.013 -0.878 0.000) 2.196 4.811 ( -2.265 -0.286 0.000) 2.283 4.924 ( -3.150 1.298 0.000) 3.407 4.947 ( -3.547 3.590 0.000) 5.047 5.087 ( -0.213 -5.987 0.000) 5.990 5.102 ( -3.835 0.134 0.000) 3.837 5.213 ( 3.377 0.099 0.000) 3.379 5.304 ( 2.638 -0.038 0.000) 2.638 5.443 ( 4.018 0.036 0.000) 4.018 5.507 ( 0.050 -0.164 0.000) 0.172 5.680 ( -0.078 -1.642 0.000) 1.644 5.707 ( 5.655 -0.309 0.000) 5.663 5.880 ( 4.564 -0.049 0.000) 4.564 ======================= Grid point 43 (31/86) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -9.864 3.329 0.000) 10.410 1.233 ( -8.104 3.771 0.000) 8.939 1.491 ( -1.105 -0.819 0.000) 1.375 1.499 ( 0.254 -8.031 0.000) 8.035 1.509 ( -6.814 0.574 0.000) 6.838 1.580 ( -4.840 -2.736 0.000) 5.560 1.622 ( -8.362 -3.799 0.000) 9.185 1.672 ( -4.039 -3.955 0.000) 5.653 1.757 ( -3.161 -1.684 0.000) 3.582 1.809 ( 2.051 -3.931 0.000) 4.434 1.964 ( -2.315 1.862 0.000) 2.971 2.033 ( 0.791 2.505 0.000) 2.626 2.276 ( 1.252 -4.002 0.000) 4.193 2.306 ( -5.395 3.638 0.000) 6.507 2.380 ( -13.616 2.263 0.000) 13.802 2.549 ( -11.734 -1.428 0.000) 11.821 2.606 ( -8.037 1.681 0.000) 8.211 2.610 ( -4.620 1.297 0.000) 4.799 2.691 ( 1.203 4.301 0.000) 4.466 2.786 ( -0.389 0.540 0.000) 0.666 2.835 ( -11.137 1.923 0.000) 11.302 2.873 ( -2.070 0.121 0.000) 2.073 2.940 ( -7.884 2.294 0.000) 8.211 2.958 ( 0.495 -0.394 0.000) 0.633 3.200 ( -2.710 0.235 0.000) 2.720 3.364 ( 0.492 -0.362 0.000) 0.611 4.037 ( -5.488 1.278 0.000) 5.634 4.054 ( -3.537 2.002 0.000) 4.064 4.157 ( 1.973 -1.782 0.000) 2.659 4.180 ( 2.719 -0.170 0.000) 2.724 4.421 ( 4.948 0.212 0.000) 4.952 4.450 ( 3.879 -1.651 0.000) 4.216 4.564 ( 4.562 1.085 0.000) 4.689 4.576 ( 1.074 -1.511 0.000) 1.853 4.687 ( -1.546 -0.171 0.000) 1.555 4.721 ( 1.818 -1.626 0.000) 2.439 4.781 ( -9.751 1.515 0.000) 9.868 4.816 ( -7.421 0.110 0.000) 7.421 4.880 ( 8.677 -1.146 0.000) 8.753 5.030 ( -3.029 -0.002 0.000) 3.029 5.152 ( 3.282 -6.098 0.000) 6.925 5.260 ( 1.443 0.598 0.000) 1.562 5.328 ( 0.066 -0.055 0.000) 0.086 5.502 ( -0.588 -0.154 0.000) 0.608 5.508 ( 2.443 -0.069 0.000) 2.444 5.707 ( 1.713 -2.190 0.000) 2.780 5.821 ( 5.724 -0.487 0.000) 5.745 5.970 ( 4.506 0.619 0.000) 4.549 ======================= Grid point 44 (32/86) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -9.531 6.724 0.000) 11.664 1.051 ( -5.189 12.161 0.000) 13.222 1.369 ( -6.878 2.498 0.000) 7.317 1.405 ( -6.260 0.342 0.000) 6.270 1.452 ( -8.623 -3.611 0.000) 9.349 1.525 ( -1.908 -7.216 0.000) 7.464 1.553 ( 0.052 -5.202 0.000) 5.202 1.712 ( 1.527 -3.610 0.000) 3.919 1.733 ( -1.373 -2.682 0.000) 3.013 1.834 ( -7.919 5.653 0.000) 9.730 1.894 ( -0.127 -10.244 0.000) 10.244 1.989 ( -7.145 1.565 0.000) 7.315 2.019 ( -14.984 1.357 0.000) 15.045 2.134 ( -16.318 9.756 0.000) 19.012 2.153 ( -11.758 -3.753 0.000) 12.343 2.249 ( -10.197 5.937 0.000) 11.800 2.358 ( -13.540 -6.077 0.000) 14.842 2.487 ( -4.608 3.908 0.000) 6.042 2.650 ( -2.178 0.971 0.000) 2.385 2.759 ( 2.472 -2.040 0.000) 3.205 2.765 ( -1.293 3.006 0.000) 3.272 2.841 ( -1.258 0.143 0.000) 1.266 2.958 ( 4.162 -3.941 0.000) 5.732 2.972 ( 0.766 0.088 0.000) 0.771 3.165 ( -0.463 0.237 0.000) 0.520 3.380 ( 1.255 0.315 0.000) 1.294 3.889 ( -10.042 -0.318 0.000) 10.047 3.954 ( -6.578 0.515 0.000) 6.598 4.178 ( -1.661 -3.112 0.000) 3.528 4.200 ( -1.211 -0.906 0.000) 1.513 4.463 ( -3.251 2.607 0.000) 4.167 4.484 ( -5.750 0.750 0.000) 5.798 4.522 ( -11.299 0.531 0.000) 11.312 4.536 ( 3.162 2.434 0.000) 3.991 4.677 ( 4.115 -1.459 0.000) 4.366 4.737 ( 6.160 -3.714 0.000) 7.193 4.750 ( 0.570 0.035 0.000) 0.571 4.780 ( 3.964 -0.267 0.000) 3.973 4.986 ( -1.520 -0.111 0.000) 1.524 5.085 ( 8.692 -0.325 0.000) 8.698 5.255 ( -1.436 0.832 0.000) 1.659 5.277 ( 5.218 -6.101 0.000) 8.028 5.334 ( 1.599 -0.446 0.000) 1.660 5.490 ( -0.544 -0.216 0.000) 0.585 5.542 ( 0.946 -0.299 0.000) 0.992 5.766 ( 2.717 -1.805 0.000) 3.262 5.944 ( 6.442 -0.171 0.000) 6.445 6.048 ( 4.072 2.123 0.000) 4.592 ======================= Grid point 45 (33/86) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -6.795 11.256 0.000) 13.148 0.912 ( 1.121 20.647 0.000) 20.678 1.222 ( -4.990 4.290 0.000) 6.581 1.294 ( -4.684 1.701 0.000) 4.984 1.343 ( -4.416 -3.096 0.000) 5.393 1.456 ( -11.763 3.742 0.000) 12.344 1.528 ( -10.586 4.241 0.000) 11.404 1.601 ( 1.167 -5.936 0.000) 6.050 1.647 ( -14.454 10.791 0.000) 18.038 1.665 ( -9.900 -1.308 0.000) 9.986 1.759 ( -6.622 -4.584 0.000) 8.054 1.774 ( -5.630 -1.752 0.000) 5.897 1.822 ( 0.168 -3.571 0.000) 3.575 1.991 ( -1.679 -8.676 0.000) 8.837 2.053 ( -2.991 -3.439 0.000) 4.557 2.117 ( -2.844 -2.007 0.000) 3.481 2.190 ( -6.382 -4.663 0.000) 7.904 2.403 ( -1.241 5.240 0.000) 5.385 2.593 ( -2.667 2.673 0.000) 3.776 2.736 ( 0.127 1.338 0.000) 1.344 2.818 ( -0.344 -0.553 0.000) 0.651 2.844 ( 2.644 -2.360 0.000) 3.544 2.986 ( 0.899 1.089 0.000) 1.412 3.040 ( 0.862 -6.537 0.000) 6.594 3.189 ( 2.949 1.052 0.000) 3.131 3.409 ( 1.748 0.898 0.000) 1.965 3.626 ( -14.921 -0.518 0.000) 14.930 3.750 ( -15.104 -4.179 0.000) 15.672 4.128 ( -4.321 -2.274 0.000) 4.883 4.162 ( -2.049 0.045 0.000) 2.049 4.293 ( -5.189 0.181 0.000) 5.192 4.331 ( -6.371 -0.962 0.000) 6.444 4.505 ( 2.119 4.579 0.000) 5.045 4.573 ( 1.714 1.833 0.000) 2.509 4.758 ( 1.028 -4.293 0.000) 4.414 4.772 ( 3.024 3.340 0.000) 4.506 4.870 ( 4.620 0.573 0.000) 4.655 4.878 ( 4.611 -3.625 0.000) 5.865 4.969 ( -0.328 -0.452 0.000) 0.558 5.163 ( -0.180 -0.027 0.000) 0.182 5.205 ( -2.010 1.093 0.000) 2.288 5.361 ( 2.707 2.054 0.000) 3.398 5.467 ( 6.648 -7.028 0.000) 9.674 5.489 ( 0.301 -0.395 0.000) 0.497 5.554 ( 0.247 -0.283 0.000) 0.375 5.824 ( 1.957 -1.398 0.000) 2.405 6.070 ( 5.712 0.085 0.000) 5.713 6.099 ( 2.547 3.963 0.000) 4.711 ======================= Grid point 46 (34/86) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 14.783 0.000) 14.783 0.843 ( 0.000 22.280 0.000) 22.280 1.134 ( 0.000 28.970 0.000) 28.970 1.141 ( 0.000 6.682 0.000) 6.682 1.209 ( 0.000 5.288 0.000) 5.288 1.284 ( 0.000 1.529 0.000) 1.529 1.394 ( -0.000 -2.510 0.000) 2.510 1.509 ( -0.000 -2.262 0.000) 2.262 1.559 ( -0.000 -5.906 0.000) 5.906 1.673 ( -0.000 -8.215 0.000) 8.215 1.718 ( -0.000 -2.844 0.000) 2.844 1.765 ( -0.000 -2.722 0.000) 2.722 1.846 ( -0.000 -3.806 0.000) 3.806 2.014 ( -0.000 -12.654 0.000) 12.654 2.043 ( -0.000 -3.737 0.000) 3.737 2.125 ( -0.000 -4.351 0.000) 4.351 2.146 ( -0.000 -0.834 0.000) 0.834 2.364 ( 0.000 6.285 0.000) 6.285 2.535 ( 0.000 6.222 0.000) 6.222 2.741 ( 0.000 0.028 0.000) 0.028 2.815 ( -0.000 -0.325 0.000) 0.325 2.892 ( -0.000 -3.603 0.000) 3.603 2.990 ( 0.000 1.226 0.000) 1.226 3.090 ( -0.000 -9.450 0.000) 9.450 3.230 ( 0.000 2.338 0.000) 2.338 3.429 ( 0.000 0.584 0.000) 0.584 3.444 ( 0.000 0.361 0.000) 0.361 3.528 ( -0.000 -1.523 0.000) 1.523 4.079 ( -0.000 -0.143 0.000) 0.143 4.138 ( 0.000 0.209 0.000) 0.209 4.249 ( -0.000 -0.536 0.000) 0.536 4.278 ( -0.000 -0.943 0.000) 0.943 4.497 ( 0.000 5.627 0.000) 5.627 4.579 ( 0.000 2.473 0.000) 2.473 4.761 ( 0.000 3.147 0.000) 3.147 4.818 ( -0.000 -4.388 0.000) 4.388 4.924 ( -0.000 -0.077 0.000) 0.077 4.936 ( -0.000 -1.564 0.000) 1.564 4.980 ( -0.000 -2.965 0.000) 2.965 5.145 ( 0.000 0.229 0.000) 0.229 5.183 ( 0.000 0.205 0.000) 0.205 5.371 ( 0.000 4.087 0.000) 4.087 5.495 ( -0.000 -0.478 0.000) 0.478 5.558 ( -0.000 -0.221 0.000) 0.221 5.584 ( -0.000 -6.731 0.000) 6.731 5.852 ( -0.000 -1.452 0.000) 1.452 6.099 ( 0.000 4.937 0.000) 4.937 6.140 ( -0.000 -0.882 0.000) 0.882 ======================= Grid point 53 (35/86) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -4.901 0.000 0.000) 4.901 1.393 ( -8.478 0.000 0.000) 8.478 1.486 ( -7.823 0.000 0.000) 7.823 1.497 ( -1.707 0.000 0.000) 1.707 1.620 ( -1.625 0.000 0.000) 1.625 1.649 ( -5.658 0.000 0.000) 5.658 1.730 ( 0.425 -0.000 0.000) 0.425 1.737 ( -7.450 0.000 0.000) 7.450 1.805 ( -4.720 0.000 0.000) 4.720 1.827 ( -3.004 0.000 0.000) 3.004 2.003 ( -2.442 0.000 0.000) 2.442 2.062 ( -0.783 0.000 0.000) 0.783 2.125 ( 5.709 -0.000 0.000) 5.709 2.403 ( -3.301 0.000 0.000) 3.301 2.510 ( 7.222 -0.000 0.000) 7.222 2.588 ( 0.512 -0.000 0.000) 0.512 2.674 ( -1.161 0.000 0.000) 1.161 2.713 ( 1.510 -0.000 0.000) 1.510 2.752 ( -6.561 0.000 0.000) 6.561 2.832 ( -5.620 0.000 0.000) 5.620 2.901 ( -1.283 0.000 0.000) 1.283 2.946 ( 0.409 -0.000 0.000) 0.409 3.104 ( -9.653 0.000 0.000) 9.653 3.204 ( -8.001 0.000 0.000) 8.001 3.280 ( -4.282 0.000 0.000) 4.282 3.362 ( -1.765 0.000 0.000) 1.765 4.098 ( 1.621 -0.000 0.000) 1.621 4.119 ( 2.878 -0.000 0.000) 2.878 4.136 ( -2.347 0.000 0.000) 2.347 4.138 ( -2.034 0.000 0.000) 2.034 4.322 ( 1.309 -0.000 0.000) 1.309 4.377 ( 1.283 -0.000 0.000) 1.283 4.492 ( 2.005 -0.000 0.000) 2.005 4.568 ( -0.823 0.000 0.000) 0.823 4.639 ( 3.483 -0.000 0.000) 3.483 4.708 ( -1.995 0.000 0.000) 1.995 4.809 ( -2.333 0.000 0.000) 2.333 4.931 ( -3.122 0.000 0.000) 3.122 4.976 ( -5.165 0.000 0.000) 5.165 5.045 ( 1.010 -0.000 0.000) 1.010 5.103 ( -3.845 0.000 0.000) 3.845 5.214 ( 3.448 -0.000 0.000) 3.448 5.304 ( 2.700 -0.000 0.000) 2.700 5.443 ( 4.014 -0.000 0.000) 4.014 5.506 ( 0.061 -0.000 0.000) 0.061 5.670 ( -0.157 0.000 0.000) 0.157 5.705 ( 5.600 -0.000 0.000) 5.600 5.879 ( 4.652 -0.000 0.000) 4.652 ======================= Grid point 55 (36/86) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -8.942 1.477 0.000) 9.063 1.300 ( -2.240 7.479 0.000) 7.808 1.402 ( -0.531 -8.739 0.000) 8.755 1.479 ( -0.399 -0.885 0.000) 0.970 1.515 ( -6.656 0.340 0.000) 6.665 1.560 ( -5.573 -0.774 0.000) 5.626 1.591 ( -7.549 -1.471 0.000) 7.691 1.633 ( -8.497 -2.123 0.000) 8.758 1.742 ( -3.921 -0.835 0.000) 4.009 1.776 ( 1.233 -1.484 0.000) 1.930 1.991 ( 0.130 1.745 0.000) 1.749 2.055 ( 0.049 1.224 0.000) 1.225 2.242 ( 2.291 -1.711 0.000) 2.860 2.324 ( -4.651 0.191 0.000) 4.655 2.411 ( -16.473 2.504 0.000) 16.662 2.519 ( -11.130 -2.437 0.000) 11.394 2.620 ( -4.078 0.436 0.000) 4.101 2.626 ( -6.058 1.103 0.000) 6.157 2.728 ( 3.817 1.746 0.000) 4.197 2.791 ( -0.499 0.380 0.000) 0.627 2.853 ( -12.411 1.010 0.000) 12.452 2.873 ( -1.813 -0.052 0.000) 1.814 2.955 ( 0.544 -0.127 0.000) 0.558 2.963 ( -12.377 1.301 0.000) 12.446 3.199 ( -3.076 -0.199 0.000) 3.082 3.360 ( 0.700 -0.210 0.000) 0.731 4.049 ( -5.955 0.685 0.000) 5.994 4.079 ( -3.342 1.934 0.000) 3.861 4.135 ( 1.025 -1.755 0.000) 2.032 4.175 ( 2.127 -0.359 0.000) 2.157 4.417 ( 3.093 -0.417 0.000) 3.121 4.441 ( 8.502 -0.143 0.000) 8.503 4.564 ( 0.257 -0.601 0.000) 0.654 4.570 ( 5.285 0.073 0.000) 5.285 4.690 ( 0.068 0.573 0.000) 0.577 4.703 ( 1.183 -1.312 0.000) 1.767 4.794 ( -10.264 0.594 0.000) 10.281 4.817 ( -8.988 0.024 0.000) 8.988 4.870 ( 7.967 -0.432 0.000) 7.979 5.030 ( -3.102 -0.005 0.000) 3.102 5.107 ( 4.241 -1.938 0.000) 4.662 5.265 ( 1.871 0.280 0.000) 1.892 5.327 ( -0.212 -0.072 0.000) 0.224 5.501 ( -0.539 -0.038 0.000) 0.540 5.508 ( 2.347 -0.030 0.000) 2.347 5.690 ( 1.995 -0.770 0.000) 2.139 5.817 ( 5.731 -0.233 0.000) 5.736 5.974 ( 4.857 0.218 0.000) 4.862 ======================= Grid point 56 (37/86) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -7.924 4.500 0.000) 9.113 1.207 ( 0.089 14.680 0.000) 14.680 1.390 ( -7.310 1.079 0.000) 7.389 1.403 ( -6.331 -0.230 0.000) 6.336 1.428 ( -7.410 -0.493 0.000) 7.426 1.451 ( -2.179 -5.602 0.000) 6.011 1.504 ( 0.584 -3.225 0.000) 3.277 1.610 ( 2.129 -12.939 0.000) 13.113 1.707 ( -1.096 -1.777 0.000) 2.088 1.813 ( 0.198 -3.702 0.000) 3.707 1.916 ( -9.759 7.472 0.000) 12.291 2.015 ( -6.778 2.859 0.000) 7.356 2.019 ( -16.460 -1.014 0.000) 16.492 2.109 ( -13.235 -3.931 0.000) 13.807 2.194 ( -9.317 2.214 0.000) 9.577 2.268 ( -12.157 -5.050 0.000) 13.164 2.386 ( -15.108 11.367 0.000) 18.907 2.520 ( -4.422 1.916 0.000) 4.819 2.641 ( -7.203 -2.854 0.000) 7.748 2.746 ( 2.140 -0.405 0.000) 2.178 2.783 ( -0.980 0.256 0.000) 1.013 2.843 ( -1.316 0.054 0.000) 1.317 2.923 ( 4.375 -1.861 0.000) 4.754 2.973 ( 1.190 0.054 0.000) 1.191 3.169 ( -0.094 0.367 0.000) 0.378 3.381 ( 1.331 -0.012 0.000) 1.331 3.887 ( -10.834 -0.132 0.000) 10.835 3.963 ( -8.485 0.871 0.000) 8.530 4.145 ( -1.407 -2.425 0.000) 2.804 4.191 ( -0.859 -0.684 0.000) 1.098 4.485 ( -8.365 0.948 0.000) 8.418 4.492 ( 1.615 0.818 0.000) 1.810 4.525 ( -13.154 0.109 0.000) 13.154 4.560 ( 1.525 1.586 0.000) 2.200 4.659 ( 2.761 -1.348 0.000) 3.072 4.702 ( 6.313 -2.326 0.000) 6.728 4.759 ( 2.719 0.967 0.000) 2.886 4.779 ( 5.598 0.202 0.000) 5.602 4.985 ( -1.576 -0.098 0.000) 1.579 5.078 ( 9.795 -0.732 0.000) 9.822 5.208 ( 3.151 -3.965 0.000) 5.064 5.282 ( -0.042 2.075 0.000) 2.075 5.326 ( 1.916 -1.116 0.000) 2.218 5.489 ( -0.601 -0.068 0.000) 0.605 5.539 ( 0.916 -0.180 0.000) 0.934 5.750 ( 3.163 -0.909 0.000) 3.291 5.942 ( 6.642 -0.244 0.000) 6.647 6.067 ( 4.718 1.153 0.000) 4.857 ======================= Grid point 57 (38/86) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -5.059 8.610 0.000) 9.986 1.143 ( 3.224 19.927 0.000) 20.186 1.239 ( -5.997 -1.170 0.000) 6.110 1.315 ( -3.187 2.098 0.000) 3.815 1.321 ( -2.742 -0.340 0.000) 2.763 1.463 ( -0.928 -4.368 0.000) 4.465 1.523 ( -16.011 1.966 0.000) 16.131 1.543 ( 0.642 -4.195 0.000) 4.244 1.656 ( -11.677 -0.140 0.000) 11.678 1.701 ( -4.152 -8.015 0.000) 9.027 1.718 ( -6.256 -2.888 0.000) 6.891 1.781 ( -4.961 -3.136 0.000) 5.869 1.832 ( -9.751 5.237 0.000) 11.069 1.940 ( -7.458 7.066 0.000) 10.273 2.019 ( -2.712 -2.435 0.000) 3.645 2.095 ( -5.270 -1.535 0.000) 5.490 2.158 ( -3.331 -0.648 0.000) 3.394 2.446 ( -1.711 2.377 0.000) 2.928 2.556 ( -4.768 -9.275 0.000) 10.429 2.761 ( -0.375 2.691 0.000) 2.717 2.813 ( 0.985 0.055 0.000) 0.987 2.832 ( 1.874 -0.415 0.000) 1.919 2.998 ( 1.460 1.054 0.000) 1.801 3.001 ( 2.099 -0.334 0.000) 2.125 3.191 ( 2.318 -0.466 0.000) 2.365 3.413 ( 1.676 -0.119 0.000) 1.680 3.620 ( -14.345 -0.380 0.000) 14.350 3.713 ( -15.785 -2.418 0.000) 15.969 4.111 ( -2.574 -0.892 0.000) 2.725 4.164 ( -1.531 0.176 0.000) 1.541 4.293 ( -6.168 -0.043 0.000) 6.169 4.321 ( -6.535 -0.717 0.000) 6.575 4.551 ( 2.756 3.326 0.000) 4.320 4.583 ( 1.050 0.015 0.000) 1.051 4.711 ( 1.296 -3.351 0.000) 3.593 4.810 ( 2.844 2.424 0.000) 3.737 4.843 ( 4.936 -2.300 0.000) 5.445 4.887 ( 5.088 2.427 0.000) 5.638 4.966 ( -0.454 -0.150 0.000) 0.478 5.165 ( -0.237 0.455 0.000) 0.513 5.214 ( -2.427 0.257 0.000) 2.441 5.352 ( 4.938 -4.485 0.000) 6.671 5.416 ( 5.143 -0.783 0.000) 5.202 5.485 ( 0.281 -0.288 0.000) 0.403 5.552 ( 0.309 -0.201 0.000) 0.369 5.811 ( 2.217 -0.778 0.000) 2.350 6.070 ( 5.544 -0.053 0.000) 5.544 6.138 ( 3.143 2.738 0.000) 4.168 ======================= Grid point 58 (39/86) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 11.882 0.000) 11.882 1.079 ( 0.000 19.285 0.000) 19.285 1.184 ( 0.000 0.431 0.000) 0.431 1.258 ( 0.000 3.263 0.000) 3.263 1.305 ( 0.000 2.276 0.000) 2.276 1.317 ( 0.000 3.293 0.000) 3.293 1.478 ( -0.000 -2.959 0.000) 2.959 1.492 ( -0.000 -4.467 0.000) 4.467 1.515 ( 0.000 23.048 0.000) 23.048 1.599 ( -0.000 -5.510 0.000) 5.510 1.692 ( -0.000 -1.579 0.000) 1.579 1.717 ( -0.000 -5.923 0.000) 5.923 1.782 ( -0.000 -8.226 0.000) 8.226 1.889 ( -0.000 -6.870 0.000) 6.870 2.004 ( -0.000 -2.851 0.000) 2.851 2.083 ( -0.000 -2.688 0.000) 2.688 2.136 ( -0.000 -1.020 0.000) 1.020 2.417 ( 0.000 3.133 0.000) 3.133 2.555 ( -0.000 -5.627 0.000) 5.627 2.743 ( 0.000 1.847 0.000) 1.847 2.812 ( -0.000 -0.125 0.000) 0.125 2.868 ( -0.000 -0.677 0.000) 0.677 3.007 ( 0.000 1.670 0.000) 1.670 3.021 ( -0.000 -1.900 0.000) 1.900 3.238 ( -0.000 -0.916 0.000) 0.916 3.435 ( 0.000 0.458 0.000) 0.458 3.448 ( 0.000 0.299 0.000) 0.299 3.510 ( -0.000 -1.590 0.000) 1.590 4.079 ( 0.000 0.252 0.000) 0.252 4.142 ( 0.000 0.564 0.000) 0.564 4.241 ( -0.000 -0.859 0.000) 0.859 4.266 ( -0.000 -1.174 0.000) 1.174 4.556 ( 0.000 4.544 0.000) 4.544 4.595 ( 0.000 0.264 0.000) 0.264 4.746 ( -0.000 -4.073 0.000) 4.073 4.825 ( 0.000 3.533 0.000) 3.533 4.908 ( -0.000 -2.864 0.000) 2.864 4.932 ( 0.000 1.669 0.000) 1.669 4.964 ( -0.000 -0.356 0.000) 0.356 5.147 ( 0.000 0.198 0.000) 0.198 5.185 ( 0.000 0.174 0.000) 0.174 5.406 ( 0.000 1.528 0.000) 1.528 5.484 ( -0.000 -2.545 0.000) 2.545 5.512 ( -0.000 -4.222 0.000) 4.222 5.555 ( -0.000 -0.183 0.000) 0.183 5.839 ( -0.000 -0.856 0.000) 0.856 6.133 ( -0.000 -0.394 0.000) 0.394 6.150 ( 0.000 3.999 0.000) 3.999 ======================= Grid point 67 (40/86) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -7.331 0.000 0.000) 7.331 1.335 ( 0.496 -0.000 0.000) 0.496 1.392 ( -9.643 0.000 0.000) 9.643 1.394 ( 1.299 -0.000 0.000) 1.299 1.405 ( -4.369 0.000 0.000) 4.369 1.463 ( -5.681 0.000 0.000) 5.681 1.475 ( -1.780 0.000 0.000) 1.780 1.485 ( 0.746 -0.000 0.000) 0.746 1.696 ( -0.836 0.000 0.000) 0.836 1.794 ( 0.709 -0.000 0.000) 0.709 1.979 ( -3.703 0.000 0.000) 3.703 1.998 ( -23.504 0.000 0.000) 23.504 2.042 ( -1.756 0.000 0.000) 1.756 2.075 ( -18.605 0.000 0.000) 18.605 2.208 ( -7.010 0.000 0.000) 7.010 2.230 ( -14.262 0.000 0.000) 14.262 2.475 ( -10.380 0.000 0.000) 10.380 2.531 ( -4.491 0.000 0.000) 4.491 2.606 ( -14.121 0.000 0.000) 14.121 2.745 ( 2.092 -0.000 0.000) 2.092 2.782 ( -0.151 0.000 0.000) 0.151 2.843 ( -1.351 0.000 0.000) 1.351 2.914 ( 5.238 -0.000 0.000) 5.238 2.973 ( 1.359 -0.000 0.000) 1.359 3.171 ( -0.025 0.000 0.000) 0.025 3.381 ( 1.332 -0.000 0.000) 1.332 3.886 ( -11.168 0.000 0.000) 11.168 3.969 ( -9.647 0.000 0.000) 9.647 4.130 ( -0.799 0.000 0.000) 0.799 4.187 ( -0.603 0.000 0.000) 0.603 4.489 ( -10.573 0.000 0.000) 10.573 4.498 ( 4.699 -0.000 0.000) 4.699 4.526 ( -13.627 0.000 0.000) 13.627 4.569 ( 0.511 -0.000 0.000) 0.511 4.651 ( 2.252 -0.000 0.000) 2.252 4.688 ( 6.636 -0.000 0.000) 6.636 4.765 ( 2.517 -0.000 0.000) 2.517 4.782 ( 7.319 -0.000 0.000) 7.319 4.984 ( -1.595 0.000 0.000) 1.595 5.073 ( 10.437 -0.000 0.000) 10.437 5.185 ( 2.369 -0.000 0.000) 2.369 5.301 ( -2.060 0.000 0.000) 2.060 5.313 ( 4.052 -0.000 0.000) 4.052 5.488 ( -0.623 0.000 0.000) 0.623 5.538 ( 0.910 -0.000 0.000) 0.910 5.745 ( 3.324 -0.000 0.000) 3.324 5.940 ( 6.730 -0.000 0.000) 6.730 6.074 ( 4.951 -0.000 0.000) 4.951 ======================= Grid point 69 (41/86) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -4.196 3.432 0.000) 5.421 1.219 ( -7.034 -1.366 0.000) 7.166 1.328 ( 1.756 5.433 0.000) 5.709 1.334 ( -2.956 0.944 0.000) 3.103 1.354 ( -0.987 8.556 0.000) 8.613 1.412 ( 1.855 1.068 0.000) 2.141 1.508 ( 0.791 -1.798 0.000) 1.964 1.552 ( -18.097 1.600 0.000) 18.168 1.568 ( 0.413 -14.007 0.000) 14.014 1.662 ( -15.550 0.936 0.000) 15.578 1.692 ( -3.185 -1.680 0.000) 3.601 1.749 ( -10.904 -1.955 0.000) 11.077 1.824 ( -4.489 -1.292 0.000) 4.671 2.000 ( -2.291 -0.843 0.000) 2.441 2.064 ( -3.355 5.402 0.000) 6.359 2.085 ( -4.397 -0.405 0.000) 4.415 2.208 ( -9.343 11.021 0.000) 14.448 2.412 ( -8.790 -14.106 0.000) 16.621 2.461 ( -2.147 0.528 0.000) 2.211 2.783 ( 0.300 1.034 0.000) 1.077 2.819 ( 0.695 0.730 0.000) 1.007 2.828 ( 2.601 -0.470 0.000) 2.643 3.008 ( 1.955 0.486 0.000) 2.015 3.013 ( 4.123 1.327 0.000) 4.331 3.183 ( 0.983 -0.687 0.000) 1.199 3.410 ( 1.505 -0.231 0.000) 1.523 3.617 ( -14.013 -0.139 0.000) 14.014 3.695 ( -15.884 -0.780 0.000) 15.904 4.105 ( -1.652 -0.220 0.000) 1.667 4.166 ( -1.171 0.091 0.000) 1.174 4.293 ( -6.765 -0.025 0.000) 6.765 4.316 ( -6.790 -0.282 0.000) 6.796 4.576 ( 2.601 0.656 0.000) 2.682 4.580 ( 0.902 0.180 0.000) 0.920 4.685 ( 1.111 -1.180 0.000) 1.621 4.825 ( 3.030 0.474 0.000) 3.067 4.827 ( 5.072 -0.684 0.000) 5.118 4.916 ( 5.749 1.925 0.000) 6.063 4.965 ( -0.358 -0.026 0.000) 0.359 5.175 ( -1.182 1.117 0.000) 1.626 5.208 ( -0.817 -1.106 0.000) 1.375 5.303 ( 4.177 -2.721 0.000) 4.985 5.419 ( 4.924 0.379 0.000) 4.938 5.483 ( 0.233 -0.104 0.000) 0.255 5.550 ( 0.344 -0.073 0.000) 0.352 5.806 ( 2.363 -0.245 0.000) 2.376 6.069 ( 5.551 -0.020 0.000) 5.551 6.159 ( 3.492 0.979 0.000) 3.627 ======================= Grid point 70 (42/86) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 7.180 0.000) 7.180 1.161 ( -0.000 -3.189 0.000) 3.189 1.262 ( 0.000 10.745 0.000) 10.745 1.283 ( 0.000 1.179 0.000) 1.179 1.347 ( 0.000 7.140 0.000) 7.140 1.357 ( 0.000 4.993 0.000) 4.993 1.448 ( -0.000 -1.995 0.000) 1.995 1.470 ( 0.000 0.035 0.000) 0.035 1.543 ( -0.000 -4.388 0.000) 4.388 1.612 ( -0.000 -9.490 0.000) 9.490 1.627 ( -0.000 -9.933 0.000) 9.933 1.682 ( -0.000 -0.375 0.000) 0.375 1.773 ( 0.000 5.232 0.000) 5.232 1.913 ( 0.000 15.122 0.000) 15.122 1.981 ( -0.000 -1.330 0.000) 1.330 2.065 ( -0.000 -0.694 0.000) 0.694 2.125 ( -0.000 -0.842 0.000) 0.842 2.413 ( -0.000 -17.248 0.000) 17.248 2.438 ( 0.000 0.789 0.000) 0.789 2.776 ( 0.000 2.656 0.000) 2.656 2.812 ( 0.000 0.186 0.000) 0.186 2.869 ( 0.000 0.494 0.000) 0.494 3.025 ( 0.000 1.391 0.000) 1.391 3.039 ( 0.000 3.805 0.000) 3.805 3.214 ( -0.000 -3.004 0.000) 3.004 3.439 ( 0.000 0.242 0.000) 0.242 3.451 ( 0.000 0.167 0.000) 0.167 3.493 ( -0.000 -1.221 0.000) 1.221 4.083 ( 0.000 0.352 0.000) 0.352 4.149 ( 0.000 0.592 0.000) 0.592 4.231 ( -0.000 -0.767 0.000) 0.767 4.254 ( -0.000 -0.875 0.000) 0.875 4.588 ( -0.000 -0.684 0.000) 0.684 4.598 ( 0.000 2.303 0.000) 2.303 4.707 ( -0.000 -2.456 0.000) 2.456 4.854 ( 0.000 1.488 0.000) 1.488 4.882 ( -0.000 -1.510 0.000) 1.510 4.964 ( 0.000 1.522 0.000) 1.522 4.964 ( 0.000 2.097 0.000) 2.097 5.149 ( 0.000 0.114 0.000) 0.114 5.187 ( 0.000 0.099 0.000) 0.099 5.382 ( -0.000 -4.817 0.000) 4.817 5.461 ( -0.000 -0.044 0.000) 0.044 5.498 ( -0.000 -0.061 0.000) 0.061 5.554 ( -0.000 -0.105 0.000) 0.105 5.832 ( -0.000 -0.374 0.000) 0.374 6.130 ( -0.000 -0.098 0.000) 0.098 6.186 ( 0.000 2.242 0.000) 2.242 ======================= Grid point 82 (43/86) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.308 ( -0.000 -0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.416 ( -0.000 -0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.480 ( -0.000 -0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.093 ( -0.000 -0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/86) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 0.000 0.000 17.271) 17.271 0.444 ( 0.000 0.000 18.547) 18.547 0.752 ( 0.000 0.000 -5.268) 5.268 0.834 ( 0.000 0.000 -15.019) 15.019 0.860 ( 0.000 0.000 25.136) 25.136 1.397 ( 0.000 0.000 6.554) 6.554 1.505 ( 0.000 0.000 -2.846) 2.846 1.508 ( 0.000 0.000 -20.449) 20.449 1.668 ( 0.000 0.000 4.402) 4.402 1.733 ( 0.000 0.000 -3.048) 3.048 1.790 ( 0.000 0.000 0.024) 0.024 1.796 ( 0.000 0.000 -0.440) 0.440 2.003 ( 0.000 0.000 2.294) 2.294 2.079 ( 0.000 0.000 -2.701) 2.701 2.144 ( 0.000 0.000 4.401) 4.401 2.177 ( 0.000 0.000 1.372) 1.372 2.211 ( 0.000 0.000 -1.271) 1.271 2.248 ( 0.000 0.000 -0.696) 0.696 2.492 ( 0.000 0.000 3.717) 3.717 2.663 ( 0.000 0.000 -5.292) 5.292 2.801 ( 0.000 0.000 -1.621) 1.621 2.822 ( 0.000 0.000 -7.081) 7.081 3.139 ( 0.000 0.000 5.530) 5.530 3.256 ( 0.000 0.000 -2.402) 2.402 3.340 ( 0.000 0.000 3.416) 3.416 3.369 ( 0.000 0.000 1.513) 1.513 3.421 ( 0.000 0.000 0.431) 0.431 3.431 ( 0.000 0.000 -0.407) 0.407 4.102 ( 0.000 0.000 0.978) 0.978 4.127 ( 0.000 0.000 -1.040) 1.040 4.263 ( 0.000 0.000 0.779) 0.779 4.282 ( 0.000 0.000 -0.728) 0.728 4.455 ( 0.000 0.000 1.267) 1.267 4.470 ( 0.000 0.000 -0.256) 0.256 4.553 ( 0.000 0.000 4.915) 4.915 4.680 ( 0.000 0.000 -4.571) 4.571 4.941 ( 0.000 0.000 1.044) 1.044 4.986 ( 0.000 0.000 -2.930) 2.930 5.138 ( 0.000 0.000 3.862) 3.862 5.150 ( 0.000 0.000 0.760) 0.760 5.169 ( 0.000 0.000 -0.761) 0.761 5.223 ( 0.000 0.000 -2.956) 2.956 5.509 ( 0.000 0.000 0.730) 0.730 5.541 ( 0.000 0.000 -1.661) 1.661 5.887 ( 0.000 0.000 0.089) 0.089 5.901 ( 0.000 0.000 -1.606) 1.606 6.151 ( 0.000 0.000 6.711) 6.711 6.283 ( 0.000 0.000 -4.261) 4.261 ======================= Grid point 152 (45/86) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 17.816 -0.138 10.298) 20.579 0.701 ( 12.512 -3.629 14.914) 19.803 0.892 ( 12.028 -1.988 -9.802) 15.643 1.019 ( 13.049 -2.647 -11.703) 17.727 1.094 ( 22.784 -6.596 21.136) 31.770 1.466 ( 5.657 0.122 3.994) 6.926 1.517 ( 2.976 3.568 -1.305) 4.826 1.618 ( 10.081 -2.252 -15.557) 18.674 1.747 ( 3.314 3.103 0.422) 4.560 1.768 ( -0.149 0.148 -0.849) 0.875 1.790 ( 2.515 0.246 1.522) 2.949 1.819 ( 8.023 -1.742 -1.121) 8.286 2.023 ( 1.274 -1.409 1.814) 2.626 2.091 ( -0.330 1.304 -1.493) 2.010 2.144 ( 3.680 3.711 3.752) 6.433 2.180 ( 0.935 1.389 2.042) 2.640 2.211 ( 1.062 -1.033 0.153) 1.489 2.300 ( 5.425 1.199 -4.218) 6.975 2.496 ( 0.840 -0.890 2.678) 2.944 2.620 ( -2.163 -0.255 -5.723) 6.123 2.793 ( -0.536 -0.034 -1.708) 1.790 2.799 ( -0.887 -0.873 -3.608) 3.816 3.086 ( -4.313 2.137 5.372) 7.212 3.202 ( -4.508 1.773 -3.008) 5.702 3.304 ( 0.025 -0.226 5.296) 5.301 3.361 ( -0.002 -1.399 0.634) 1.536 3.668 ( 17.140 0.189 2.795) 17.368 3.792 ( 15.117 1.133 -8.137) 17.205 4.174 ( 4.953 0.822 -0.218) 5.026 4.211 ( 6.616 2.170 -4.424) 8.249 4.267 ( 1.495 -0.135 0.243) 1.521 4.286 ( 2.746 -2.420 -1.875) 4.112 4.469 ( 0.522 0.053 0.700) 0.875 4.486 ( -0.396 -2.777 -0.699) 2.891 4.595 ( 4.817 -1.613 2.014) 5.464 4.692 ( 1.096 -1.245 -3.851) 4.193 4.901 ( -2.957 1.329 0.533) 3.286 4.937 ( -3.660 0.945 -2.549) 4.559 5.073 ( -5.688 1.005 4.078) 7.070 5.163 ( -5.203 0.160 -2.768) 5.895 5.180 ( 2.502 -0.216 1.191) 2.779 5.214 ( 2.724 -1.146 -1.612) 3.366 5.512 ( 0.304 0.104 0.907) 0.962 5.544 ( 0.337 0.111 -1.503) 1.544 5.836 ( -3.789 5.099 1.898) 6.630 5.882 ( -2.763 -1.324 -2.536) 3.977 6.071 ( -6.832 1.652 5.316) 8.813 6.101 ( -10.317 -1.237 3.847) 11.080 ======================= Grid point 153 (46/86) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 10.815 -2.613 11.421) 15.944 0.995 ( 19.255 2.192 4.716) 19.945 1.177 ( 14.760 -0.730 -6.064) 15.974 1.249 ( 8.809 -2.985 -9.125) 13.030 1.545 ( 4.409 1.022 1.265) 4.699 1.586 ( 5.378 2.499 -1.700) 6.169 1.657 ( 20.794 -6.772 8.328) 23.401 1.740 ( 0.444 1.067 0.338) 1.204 1.749 ( 2.142 0.591 0.894) 2.395 1.853 ( 6.655 -0.662 -3.759) 7.672 1.924 ( 3.167 1.437 5.960) 6.900 1.966 ( 7.410 0.026 0.786) 7.452 2.076 ( -0.033 0.089 0.010) 0.096 2.120 ( 6.542 -3.660 -3.730) 8.373 2.233 ( 9.425 2.610 -1.413) 9.881 2.244 ( 8.977 1.942 -1.822) 9.364 2.325 ( 9.317 1.307 3.281) 9.963 2.442 ( 9.280 0.518 -5.164) 10.632 2.542 ( 2.935 -1.453 0.672) 3.343 2.588 ( -1.426 -0.474 -3.751) 4.041 2.779 ( -1.036 -0.034 -2.817) 3.001 2.795 ( -0.194 -0.716 -3.977) 4.045 2.964 ( -5.989 2.560 4.807) 8.095 3.068 ( -7.112 2.316 -3.430) 8.229 3.323 ( 1.201 -0.491 6.652) 6.778 3.380 ( 1.149 -0.965 1.173) 1.905 3.919 ( 7.365 0.363 1.186) 7.469 3.954 ( 4.832 0.670 -1.576) 5.126 4.207 ( -1.764 -0.318 0.394) 1.835 4.221 ( -1.482 0.052 -0.880) 1.724 4.402 ( 11.319 -1.054 1.698) 11.494 4.432 ( 2.027 -1.290 0.135) 2.407 4.467 ( 0.775 -1.272 -0.370) 1.535 4.480 ( 0.713 -1.607 -1.156) 2.104 4.709 ( 4.343 1.319 -0.112) 4.540 4.739 ( 2.420 -0.282 -1.296) 2.759 4.836 ( -2.099 3.002 -0.688) 3.728 4.879 ( -0.351 -0.574 -4.283) 4.336 4.923 ( -8.080 0.765 4.007) 9.051 5.023 ( -8.090 -0.922 -3.491) 8.859 5.233 ( 2.103 -0.248 1.323) 2.497 5.271 ( 2.021 -0.384 -1.796) 2.731 5.519 ( 0.480 0.262 1.521) 1.616 5.550 ( 0.230 0.318 -0.734) 0.832 5.697 ( -5.303 7.543 4.087) 10.086 5.798 ( -5.289 1.057 -4.400) 6.961 5.947 ( -4.356 -0.788 3.852) 5.868 5.984 ( -4.276 -2.058 0.712) 4.799 ======================= Grid point 154 (47/86) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 10.526 -1.671 6.597) 12.535 1.313 ( 12.948 3.219 -3.515) 13.797 1.417 ( 9.647 0.305 -1.974) 9.851 1.464 ( 10.600 0.401 -3.389) 11.136 1.615 ( 3.885 -1.335 0.842) 4.193 1.671 ( 4.911 0.224 -2.900) 5.708 1.730 ( 1.154 3.472 1.260) 3.869 1.764 ( 2.306 3.098 -1.359) 4.094 1.862 ( 0.252 2.631 2.402) 3.572 1.902 ( -0.782 3.684 0.014) 3.766 1.978 ( 0.400 -3.300 5.373) 6.318 2.061 ( -0.660 -2.266 -0.463) 2.405 2.220 ( 15.421 -7.360 7.042) 18.481 2.313 ( 5.662 4.602 2.879) 7.844 2.391 ( 8.642 -2.844 -6.291) 11.061 2.428 ( 6.718 3.725 -3.364) 8.386 2.537 ( 5.169 1.157 -1.322) 5.459 2.576 ( 4.327 -0.258 0.733) 4.396 2.638 ( 6.616 -2.682 -1.845) 7.374 2.670 ( 12.014 -0.474 -1.008) 12.065 2.744 ( -1.619 1.121 -4.404) 4.824 2.795 ( 0.360 -0.558 -5.330) 5.371 2.869 ( -0.771 -0.023 2.813) 2.917 2.931 ( -5.161 -1.950 -2.120) 5.910 3.345 ( 0.692 0.124 7.372) 7.406 3.408 ( 1.172 0.055 1.280) 1.736 4.017 ( 3.943 -0.107 0.497) 3.976 4.030 ( 3.615 0.223 -0.604) 3.672 4.157 ( -3.349 -1.004 0.570) 3.543 4.171 ( -3.504 -0.543 -0.528) 3.585 4.399 ( -3.073 -1.811 2.032) 4.105 4.445 ( -1.982 -2.066 -1.685) 3.322 4.562 ( 4.201 1.347 1.384) 4.624 4.593 ( 4.046 -0.108 -1.169) 4.213 4.739 ( 1.302 0.560 1.937) 2.400 4.755 ( -3.786 0.280 2.102) 4.340 4.801 ( -1.723 1.251 -1.846) 2.818 4.828 ( -0.066 0.009 -0.344) 0.351 4.844 ( -0.881 -0.347 1.523) 1.793 4.968 ( 3.324 0.201 -4.933) 5.951 5.251 ( -0.525 -0.152 1.026) 1.163 5.289 ( -0.436 -0.140 -2.062) 2.113 5.512 ( -1.811 1.328 3.241) 3.943 5.542 ( -0.986 0.347 0.930) 1.399 5.575 ( -2.029 6.793 2.575) 7.542 5.693 ( -4.086 1.688 -5.903) 7.375 5.876 ( -3.548 -0.079 2.570) 4.382 5.923 ( -3.241 -0.868 -1.279) 3.591 ======================= Grid point 155 (48/86) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 9.233 -0.795 2.635) 9.634 1.479 ( 6.111 1.024 -6.786) 9.189 1.546 ( 3.248 0.779 1.183) 3.544 1.587 ( 3.064 0.614 -2.075) 3.751 1.697 ( 0.656 0.852 1.464) 1.816 1.724 ( 0.348 2.314 -0.694) 2.440 1.785 ( 4.341 3.639 2.046) 6.022 1.814 ( 2.989 0.910 -0.262) 3.135 1.845 ( 2.256 4.694 1.986) 5.574 1.891 ( 5.074 2.886 -2.160) 6.224 2.018 ( 2.919 -1.353 3.679) 4.888 2.075 ( 1.075 -1.762 -0.752) 2.197 2.271 ( -2.281 6.964 2.713) 7.815 2.373 ( -4.084 5.264 -3.691) 7.617 2.495 ( 1.189 -1.455 4.958) 5.302 2.517 ( 2.808 -1.474 0.486) 3.208 2.604 ( 5.288 -3.774 -3.161) 7.225 2.654 ( 2.902 0.417 -3.856) 4.844 2.702 ( 1.029 -1.411 2.471) 3.026 2.761 ( -0.088 -1.923 -6.415) 6.698 2.806 ( 0.509 -1.217 -1.120) 1.731 2.851 ( 0.573 -3.902 -3.082) 5.006 3.002 ( 10.497 -4.085 0.663) 11.283 3.018 ( 12.530 -5.009 -0.400) 13.500 3.348 ( -0.053 0.406 7.370) 7.382 3.419 ( 0.171 0.892 0.767) 1.189 4.090 ( 0.446 -0.371 0.440) 0.729 4.099 ( 0.582 -0.198 -0.335) 0.700 4.107 ( 1.176 -0.450 0.074) 1.261 4.110 ( -0.129 -0.376 -0.076) 0.405 4.352 ( -1.610 -0.287 2.942) 3.366 4.425 ( -0.657 -0.876 -2.854) 3.057 4.585 ( -0.407 4.025 1.409) 4.284 4.607 ( 0.443 1.735 0.769) 1.949 4.698 ( -2.973 0.546 0.086) 3.024 4.729 ( 0.237 -0.018 -1.496) 1.515 4.802 ( 2.698 -1.768 0.360) 3.246 4.831 ( 2.130 -0.705 -2.010) 3.012 4.925 ( 3.075 -0.940 5.029) 5.969 5.038 ( 3.192 0.370 -4.307) 5.374 5.217 ( -2.824 -0.060 0.960) 2.983 5.256 ( -2.836 0.022 -2.265) 3.630 5.436 ( -2.807 4.310 5.246) 7.347 5.502 ( -2.799 0.361 2.281) 3.629 5.535 ( -0.731 2.093 0.503) 2.273 5.616 ( -2.978 1.513 -5.432) 6.377 5.799 ( -3.868 0.769 1.633) 4.269 5.852 ( -4.079 0.348 -2.524) 4.809 ======================= Grid point 156 (49/86) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 6.850 -0.397 -0.310) 6.869 1.556 ( 2.460 0.463 -1.678) 3.014 1.585 ( 1.317 -0.417 0.653) 1.528 1.630 ( 1.687 -1.423 -2.958) 3.691 1.682 ( -1.136 3.593 1.115) 3.930 1.694 ( -0.671 0.646 -0.346) 0.994 1.732 ( -3.233 2.481 1.385) 4.304 1.781 ( -2.395 3.112 -1.736) 4.293 2.002 ( 8.836 4.222 1.336) 9.883 2.022 ( 6.802 2.318 -0.534) 7.205 2.065 ( 0.843 -0.302 3.378) 3.494 2.107 ( 0.138 -2.306 0.767) 2.434 2.220 ( 1.155 3.407 0.286) 3.609 2.252 ( -3.097 3.994 -1.781) 5.359 2.498 ( -0.445 -1.015 0.904) 1.430 2.531 ( -0.140 0.863 -0.157) 0.888 2.665 ( -2.724 -3.353 -1.486) 4.568 2.681 ( -0.676 -1.554 -2.603) 3.106 2.718 ( -0.239 -2.278 2.588) 3.456 2.774 ( 0.800 -0.322 -4.141) 4.230 2.827 ( 1.480 -2.512 -2.391) 3.771 2.878 ( 0.626 -0.955 -3.667) 3.840 3.197 ( 5.853 -3.766 3.706) 7.885 3.255 ( 6.662 -3.090 0.012) 7.344 3.345 ( -0.067 -0.073 5.925) 5.926 3.418 ( 0.808 0.309 -0.373) 0.942 4.064 ( -0.929 -0.177 0.347) 1.008 4.070 ( -0.777 -0.116 -0.207) 0.813 4.159 ( 1.700 0.106 0.097) 1.706 4.160 ( 1.628 0.199 0.014) 1.640 4.363 ( 2.120 -0.945 2.610) 3.492 4.433 ( 0.546 -0.421 -3.040) 3.118 4.547 ( -0.381 4.230 2.507) 4.932 4.611 ( 1.954 3.170 -2.045) 4.249 4.678 ( 0.801 -0.489 2.235) 2.424 4.740 ( 0.279 -0.273 -2.750) 2.777 4.873 ( 2.896 -1.501 0.801) 3.359 4.895 ( 2.970 -1.763 -0.991) 3.593 4.964 ( 1.341 -0.465 4.840) 5.044 5.079 ( 1.122 0.655 -4.749) 4.924 5.143 ( -4.552 0.104 0.629) 4.596 5.181 ( -4.427 0.166 -2.604) 5.139 5.377 ( -0.788 2.729 5.827) 6.483 5.436 ( -3.358 0.182 3.166) 4.619 5.510 ( -0.810 0.743 -0.163) 1.111 5.553 ( -2.565 0.798 -2.899) 3.952 5.726 ( -2.588 0.860 -0.172) 2.733 5.768 ( -3.526 0.565 -3.076) 4.713 ======================= Grid point 157 (50/86) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.000 0.000 0.713) 0.713 1.591 ( 0.000 -0.000 0.264) 0.264 1.627 ( 0.000 -0.000 -1.049) 1.049 1.637 ( -0.000 0.000 2.599) 2.599 1.663 ( 0.000 -0.000 -3.047) 3.047 1.683 ( 0.000 0.000 -0.147) 0.147 1.697 ( -0.000 0.000 -0.694) 0.694 1.721 ( 0.000 -0.000 -3.011) 3.011 2.064 ( 0.000 0.000 1.998) 1.998 2.084 ( 0.000 0.000 1.262) 1.262 2.085 ( -0.000 -0.000 0.903) 0.903 2.110 ( 0.000 0.000 -0.580) 0.580 2.217 ( 0.000 -0.000 1.734) 1.734 2.247 ( 0.000 -0.000 -0.837) 0.837 2.496 ( 0.000 -0.000 0.899) 0.899 2.521 ( 0.000 0.000 0.441) 0.441 2.634 ( 0.000 -0.000 -2.685) 2.685 2.668 ( 0.000 0.000 -4.287) 4.287 2.719 ( 0.000 -0.000 3.535) 3.535 2.782 ( 0.000 -0.000 -2.989) 2.989 2.856 ( 0.000 -0.000 -2.627) 2.627 2.887 ( 0.000 0.000 -4.021) 4.021 3.267 ( 0.000 -0.000 4.632) 4.632 3.313 ( 0.000 -0.000 1.707) 1.707 3.342 ( 0.000 -0.000 6.206) 6.206 3.442 ( 0.000 -0.000 -2.937) 2.937 4.056 ( 0.000 -0.000 0.444) 0.444 4.065 ( 0.000 -0.000 -0.269) 0.269 4.173 ( 0.000 -0.000 0.138) 0.138 4.174 ( 0.000 -0.000 0.074) 0.074 4.400 ( 0.000 -0.000 0.951) 0.951 4.432 ( 0.000 -0.000 -1.727) 1.727 4.533 ( 0.000 -0.000 3.886) 3.886 4.640 ( -0.000 -0.000 -4.456) 4.456 4.697 ( 0.000 -0.000 2.459) 2.459 4.742 ( 0.000 -0.000 -1.741) 1.741 4.899 ( 0.000 -0.000 2.887) 2.887 4.938 ( 0.000 -0.000 -0.653) 0.653 5.034 ( 0.000 -0.000 1.796) 1.796 5.038 ( -0.000 -0.000 1.499) 1.499 5.097 ( 0.000 0.000 -3.691) 3.691 5.109 ( -0.000 -0.000 -4.570) 4.570 5.379 ( -0.000 -0.000 4.913) 4.913 5.383 ( 0.000 -0.000 4.934) 4.934 5.499 ( 0.000 -0.000 -0.601) 0.601 5.521 ( 0.000 -0.000 -1.421) 1.421 5.698 ( 0.000 -0.000 -1.320) 1.320 5.728 ( 0.000 -0.000 -3.192) 3.192 ======================= Grid point 165 (51/86) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 11.347 -0.000 12.035) 16.541 1.010 ( 19.924 -0.000 3.548) 20.237 1.174 ( 15.745 -0.000 -5.574) 16.703 1.230 ( 8.944 -0.000 -9.680) 13.179 1.552 ( 2.438 -0.000 2.283) 3.340 1.600 ( 11.007 -0.000 2.409) 11.267 1.612 ( 19.299 -0.000 6.744) 20.443 1.747 ( 0.310 -0.000 0.565) 0.645 1.757 ( 0.847 -0.000 -0.600) 1.037 1.846 ( 8.512 -0.000 -5.886) 10.349 1.935 ( 5.102 -0.000 8.188) 9.648 1.967 ( 2.497 -0.000 0.236) 2.508 2.082 ( 9.106 -0.000 -7.151) 11.578 2.088 ( -1.930 0.000 0.626) 2.029 2.245 ( 11.080 -0.000 -0.761) 11.107 2.263 ( 6.189 -0.000 -1.692) 6.416 2.332 ( 10.452 -0.000 3.869) 11.145 2.444 ( 8.735 -0.000 -4.962) 10.046 2.534 ( 3.063 -0.000 1.279) 3.319 2.585 ( -1.538 0.000 -3.545) 3.864 2.779 ( -0.759 0.000 -2.615) 2.723 2.790 ( -0.142 0.000 -4.670) 4.672 2.980 ( -6.412 0.000 4.735) 7.971 3.081 ( -7.791 0.000 -3.382) 8.493 3.320 ( 1.386 -0.000 6.534) 6.680 3.374 ( 1.538 -0.000 1.294) 2.010 3.921 ( 7.254 -0.000 1.215) 7.355 3.958 ( 4.605 -0.000 -1.695) 4.907 4.205 ( -2.467 0.000 0.566) 2.531 4.221 ( -1.955 0.000 -0.917) 2.160 4.397 ( 11.986 -0.000 1.721) 12.109 4.424 ( 0.735 -0.000 0.408) 0.841 4.460 ( -1.493 0.000 -0.474) 1.567 4.471 ( 4.382 -0.000 -1.766) 4.725 4.719 ( 4.195 -0.000 -1.086) 4.333 4.734 ( 3.576 -0.000 -0.321) 3.590 4.862 ( -3.637 0.000 -1.540) 3.950 4.868 ( 0.573 -0.000 -2.875) 2.931 4.929 ( -8.210 0.000 3.025) 8.749 5.016 ( -8.089 0.000 -3.243) 8.715 5.232 ( 2.160 -0.000 1.360) 2.553 5.269 ( 2.190 -0.000 -1.672) 2.755 5.521 ( 0.469 -0.000 1.611) 1.678 5.552 ( 0.207 -0.000 -0.627) 0.660 5.753 ( -5.395 0.000 1.683) 5.652 5.792 ( -5.452 0.000 -2.328) 5.928 5.946 ( -4.306 0.000 3.289) 5.418 5.967 ( -4.015 0.000 1.387) 4.248 ======================= Grid point 166 (52/86) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 11.147 -0.561 6.978) 13.163 1.336 ( 10.842 0.930 -7.236) 13.069 1.424 ( 11.737 0.637 -0.231) 11.757 1.468 ( 11.950 0.193 -2.643) 12.240 1.601 ( 3.886 -0.749 1.673) 4.296 1.668 ( 3.595 -0.326 -3.298) 4.889 1.761 ( 0.338 1.562 0.731) 1.757 1.790 ( 2.706 1.176 -1.677) 3.394 1.894 ( 0.716 2.842 2.882) 4.111 1.921 ( 2.143 -1.413 0.589) 2.633 1.970 ( -0.051 2.910 4.487) 5.349 2.025 ( -2.180 -3.652 0.864) 4.340 2.152 ( 16.918 -3.565 8.441) 19.240 2.328 ( 10.836 -0.865 -3.023) 11.283 2.395 ( 5.194 1.978 -3.567) 6.604 2.460 ( 8.236 1.489 -3.490) 9.068 2.546 ( 1.150 0.321 -1.294) 1.760 2.583 ( 6.894 1.557 1.683) 7.265 2.608 ( 7.320 -2.549 0.499) 7.767 2.665 ( 11.478 -0.285 -0.425) 11.490 2.754 ( -1.802 0.560 -5.360) 5.682 2.789 ( 0.160 -0.383 -6.408) 6.421 2.871 ( -2.592 0.145 1.980) 3.265 2.915 ( -7.920 -0.788 -1.628) 8.124 3.346 ( 0.961 0.082 7.429) 7.491 3.409 ( 1.567 0.006 1.397) 2.099 4.016 ( 3.748 0.003 0.572) 3.791 4.032 ( 3.443 0.136 -0.745) 3.526 4.149 ( -3.137 -0.444 0.702) 3.245 4.166 ( -3.400 -0.292 -0.677) 3.479 4.384 ( -2.476 -0.741 1.967) 3.248 4.428 ( -1.460 -0.874 -1.487) 2.260 4.576 ( 4.804 1.025 0.664) 4.957 4.588 ( 5.194 -0.629 -0.410) 5.248 4.744 ( 0.681 0.248 1.778) 1.920 4.758 ( -4.940 0.119 1.852) 5.277 4.815 ( -4.613 1.182 -2.341) 5.306 4.826 ( -1.313 -0.376 -1.655) 2.146 4.838 ( 2.330 -0.447 3.778) 4.461 4.969 ( 3.630 0.056 -4.924) 6.118 5.250 ( -0.469 -0.044 1.059) 1.159 5.288 ( -0.362 -0.049 -2.024) 2.057 5.519 ( -1.040 0.230 2.660) 2.866 5.544 ( -1.086 0.069 1.308) 1.701 5.647 ( -3.479 5.337 0.102) 6.371 5.693 ( -4.638 -1.833 -3.355) 6.010 5.877 ( -3.172 0.196 2.043) 3.778 5.914 ( -2.407 -0.570 -0.974) 2.658 ======================= Grid point 167 (53/86) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 9.637 -0.347 2.724) 10.020 1.485 ( 5.756 0.206 -7.877) 9.758 1.554 ( 2.307 0.555 0.924) 2.546 1.590 ( 2.077 0.003 -1.666) 2.663 1.706 ( 1.143 0.679 1.135) 1.748 1.739 ( -0.292 0.523 -1.741) 1.841 1.816 ( 6.712 1.606 1.381) 7.038 1.842 ( 4.676 3.484 0.398) 5.845 1.889 ( 0.682 1.800 2.647) 3.273 1.905 ( 2.034 0.531 0.035) 2.103 2.018 ( 5.333 0.950 1.576) 5.642 2.048 ( 1.785 -2.183 0.150) 2.824 2.363 ( -2.292 8.383 2.349) 9.003 2.414 ( 3.217 1.201 0.314) 3.448 2.490 ( 0.601 -0.764 2.057) 2.275 2.509 ( 0.234 2.750 2.786) 3.922 2.557 ( 2.579 -4.781 -1.867) 5.744 2.631 ( -0.855 -4.171 -0.771) 4.327 2.710 ( 1.972 2.386 -1.343) 3.374 2.727 ( -0.531 -3.070 -8.616) 9.162 2.782 ( -1.319 -3.213 -2.516) 4.289 2.829 ( 3.788 -0.217 -2.810) 4.722 2.965 ( 9.892 -2.311 0.291) 10.163 2.974 ( 12.064 -2.636 -0.327) 12.353 3.352 ( -0.123 0.318 7.775) 7.783 3.427 ( 0.324 0.477 0.808) 0.993 4.089 ( 0.364 0.143 0.448) 0.594 4.098 ( -0.250 -0.142 -0.166) 0.332 4.101 ( 1.976 -0.386 0.001) 2.014 4.106 ( 0.496 -0.346 -0.239) 0.650 4.350 ( -1.073 -0.177 2.761) 2.968 4.417 ( -0.064 -0.516 -2.567) 2.620 4.616 ( -0.681 1.023 2.080) 2.415 4.629 ( 1.732 2.403 1.123) 3.168 4.704 ( -2.972 0.470 -0.788) 3.111 4.724 ( 0.010 -0.770 -1.873) 2.026 4.785 ( 2.900 -1.081 0.756) 3.186 4.826 ( 1.400 -0.267 -2.515) 2.891 4.917 ( 2.814 -0.444 5.746) 6.413 5.040 ( 3.115 0.145 -4.367) 5.366 5.217 ( -2.776 -0.029 1.020) 2.958 5.256 ( -2.731 0.032 -2.324) 3.586 5.470 ( -3.050 1.719 3.484) 4.939 5.505 ( -2.769 0.157 2.793) 3.937 5.566 ( -2.175 3.185 -0.125) 3.859 5.623 ( -3.367 -0.331 -3.536) 4.893 5.807 ( -3.726 0.459 1.197) 3.940 5.856 ( -3.679 0.276 -2.515) 4.465 ======================= Grid point 168 (54/86) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 7.134 -0.049 -0.699) 7.169 1.563 ( 2.045 0.754 -3.164) 3.842 1.581 ( 1.257 -0.310 0.443) 1.369 1.614 ( 0.794 -1.316 -2.486) 2.923 1.695 ( -0.786 -0.021 0.339) 0.856 1.706 ( -1.785 0.684 -0.834) 2.086 1.782 ( -3.176 5.651 2.899) 7.101 1.820 ( -1.478 3.421 -0.055) 3.727 2.019 ( 4.429 -1.549 0.398) 4.709 2.026 ( 4.907 -1.054 0.253) 5.025 2.085 ( 2.165 2.643 2.154) 4.039 2.099 ( 3.185 1.674 1.617) 3.945 2.267 ( -1.508 4.690 0.411) 4.944 2.300 ( -5.689 4.294 -1.930) 7.385 2.485 ( -0.397 -1.544 1.880) 2.465 2.531 ( -0.894 -0.894 0.444) 1.340 2.599 ( -2.172 -6.755 -0.066) 7.096 2.620 ( -1.948 -6.672 -1.737) 7.164 2.732 ( 1.660 2.163 -0.947) 2.886 2.772 ( 2.019 0.160 -6.668) 6.969 2.810 ( 2.760 -0.726 -0.253) 2.865 2.888 ( 2.661 1.956 -3.565) 4.860 3.158 ( 7.041 -2.927 3.356) 8.330 3.218 ( 8.929 -3.248 -1.068) 9.562 3.345 ( -0.317 0.023 6.892) 6.899 3.421 ( -0.229 0.271 0.132) 0.379 4.063 ( -0.709 0.083 0.322) 0.783 4.070 ( -0.617 0.030 -0.221) 0.656 4.160 ( 1.888 0.132 0.093) 1.895 4.163 ( 2.068 0.194 -0.074) 2.078 4.353 ( 1.221 -0.770 2.855) 3.199 4.428 ( 0.619 -0.467 -3.160) 3.253 4.593 ( -0.767 3.639 2.188) 4.315 4.646 ( 1.853 2.826 -1.051) 3.539 4.672 ( 0.076 -0.682 1.679) 1.814 4.733 ( -0.134 -0.957 -2.872) 3.030 4.859 ( 3.376 -0.885 0.707) 3.561 4.875 ( 2.524 -1.555 -0.574) 3.019 4.960 ( 2.227 -0.247 4.949) 5.433 5.084 ( 1.225 0.294 -4.993) 5.150 5.144 ( -4.446 0.044 0.638) 4.491 5.183 ( -4.483 0.115 -2.599) 5.183 5.404 ( -1.914 1.926 4.499) 5.255 5.438 ( -3.639 0.115 3.554) 5.088 5.521 ( -1.349 1.011 -0.151) 1.692 5.558 ( -2.976 0.137 -1.799) 3.480 5.734 ( -2.895 0.518 -0.495) 2.982 5.775 ( -3.596 0.600 -3.156) 4.822 ======================= Grid point 169 (55/86) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.342 -0.509 0.629) 0.878 1.597 ( 0.594 0.223 -0.325) 0.713 1.620 ( -0.194 -0.786 -1.185) 1.435 1.647 ( 0.766 -1.071 -2.929) 3.211 1.672 ( -2.843 4.084 2.124) 5.410 1.685 ( 0.424 0.150 -0.014) 0.450 1.692 ( 0.618 -0.248 0.012) 0.666 1.749 ( -3.473 3.745 -2.412) 5.648 2.040 ( -2.395 -3.272 1.618) 4.366 2.054 ( -2.234 -3.568 1.414) 4.440 2.104 ( 0.518 2.178 0.809) 2.380 2.132 ( 0.992 2.445 -0.152) 2.643 2.212 ( -2.389 -0.827 1.451) 2.915 2.239 ( -2.584 -1.385 -0.754) 3.027 2.489 ( 0.506 -1.320 0.776) 1.613 2.515 ( -0.658 -0.849 -0.118) 1.081 2.608 ( 0.433 -3.926 -2.177) 4.510 2.635 ( 0.983 -3.137 -2.885) 4.374 2.754 ( 2.263 3.712 1.135) 4.493 2.790 ( 0.456 0.856 -3.506) 3.638 2.858 ( 1.369 0.709 -1.270) 1.998 2.915 ( 1.886 4.093 -3.589) 5.761 3.262 ( 2.204 -0.776 4.656) 5.210 3.320 ( 0.924 0.974 0.870) 1.600 3.342 ( 0.162 -0.008 6.258) 6.260 3.434 ( 0.533 -1.224 -2.444) 2.784 4.058 ( 0.185 0.322 0.418) 0.559 4.067 ( 0.136 0.262 -0.262) 0.394 4.174 ( -0.134 0.155 0.132) 0.244 4.176 ( -0.200 0.457 0.043) 0.501 4.389 ( 1.047 -1.653 1.501) 2.466 4.432 ( -0.420 -0.177 -2.127) 2.175 4.542 ( -2.591 1.459 3.425) 4.536 4.633 ( -2.975 -1.095 -3.512) 4.731 4.700 ( 0.803 0.403 1.948) 2.146 4.741 ( 0.538 -0.122 -1.802) 1.884 4.899 ( 1.439 -0.055 3.030) 3.355 4.941 ( 2.440 0.547 -0.788) 2.622 5.034 ( -3.020 -0.066 1.686) 3.459 5.038 ( 2.625 -0.034 1.545) 3.046 5.093 ( -3.087 -0.589 -3.499) 4.703 5.111 ( 1.371 0.234 -4.716) 4.917 5.372 ( -2.793 -0.657 5.284) 6.012 5.389 ( 1.193 0.639 4.454) 4.655 5.500 ( -0.332 0.169 -0.589) 0.697 5.520 ( -0.485 -0.180 -1.399) 1.491 5.697 ( -0.642 -0.153 -1.219) 1.387 5.730 ( -0.327 0.252 -3.243) 3.269 ======================= Grid point 170 (56/86) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -6.482 0.806 0.406) 6.544 1.554 ( -3.939 0.068 0.219) 3.946 1.589 ( -1.021 0.046 1.372) 1.711 1.635 ( -0.493 -2.750 -0.098) 2.795 1.648 ( -1.276 0.646 -1.753) 2.262 1.679 ( -0.805 -2.094 -1.887) 2.931 1.718 ( 2.316 -0.508 0.495) 2.422 1.757 ( 3.191 -1.207 -2.782) 4.403 1.947 ( -9.457 -5.066 2.457) 11.006 1.981 ( -7.239 -4.190 -0.269) 8.369 2.082 ( -0.749 1.796 3.222) 3.764 2.125 ( -2.593 0.170 0.121) 2.602 2.192 ( -1.006 -1.996 -0.231) 2.247 2.220 ( 3.204 -0.671 -1.256) 3.507 2.509 ( 0.285 -0.012 -0.870) 0.915 2.513 ( 0.458 -1.290 -0.079) 1.371 2.666 ( 0.914 -2.366 -1.946) 3.197 2.671 ( 2.334 -1.195 -2.371) 3.535 2.767 ( 0.363 3.758 0.957) 3.894 2.779 ( -1.544 0.613 -1.920) 2.539 2.856 ( -0.106 2.694 -0.982) 2.870 2.920 ( 1.341 5.452 -3.629) 6.685 3.238 ( -4.418 3.210 3.942) 6.735 3.287 ( -3.843 2.807 1.316) 4.937 3.347 ( -0.041 0.158 4.882) 4.885 3.414 ( -1.953 -0.329 -1.214) 2.323 4.067 ( 1.116 0.459 0.284) 1.239 4.073 ( 0.842 0.267 -0.151) 0.896 4.158 ( -1.473 0.110 0.125) 1.482 4.159 ( -1.377 0.055 0.081) 1.380 4.373 ( -2.585 0.774 2.299) 3.545 4.435 ( 0.143 -0.235 -2.589) 2.604 4.501 ( -1.108 -3.616 2.589) 4.583 4.575 ( -2.499 -3.169 -2.946) 4.997 4.683 ( -1.075 0.393 2.527) 2.775 4.741 ( -0.664 -0.113 -2.288) 2.385 4.891 ( -2.897 1.588 0.808) 3.401 4.915 ( -3.556 1.737 -1.043) 4.093 4.971 ( 0.022 0.756 4.086) 4.156 5.068 ( -0.958 -1.201 -4.308) 4.574 5.141 ( 4.696 -0.179 0.678) 4.748 5.179 ( 4.438 -0.164 -2.616) 5.154 5.345 ( -0.609 -2.699 6.986) 7.514 5.434 ( 3.031 -0.211 2.664) 4.041 5.504 ( 0.501 -0.412 -0.412) 0.769 5.541 ( 1.807 -1.230 -3.659) 4.262 5.716 ( 2.333 -0.925 0.343) 2.533 5.763 ( 3.391 -0.367 -3.078) 4.594 ======================= Grid point 171 (57/86) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -8.686 1.208 2.465) 9.109 1.459 ( -7.338 -2.564 -3.176) 8.397 1.540 ( -4.086 -0.163 -0.508) 4.121 1.574 ( -3.987 -1.766 -2.411) 4.983 1.682 ( 0.725 -2.052 1.156) 2.464 1.686 ( -2.165 -4.131 1.152) 4.804 1.753 ( -3.406 -1.643 2.699) 4.646 1.799 ( -0.436 -3.021 0.928) 3.190 1.811 ( -1.963 0.066 -1.254) 2.331 1.844 ( -5.995 -4.905 -2.579) 8.164 2.037 ( -2.656 0.799 3.179) 4.219 2.073 ( -2.008 -1.893 -0.382) 2.786 2.219 ( 2.006 -2.345 1.558) 3.457 2.325 ( 5.259 -2.122 -3.042) 6.436 2.515 ( -1.542 1.281 1.959) 2.803 2.522 ( 0.512 -0.319 -0.588) 0.842 2.642 ( -6.068 2.115 -4.518) 7.855 2.648 ( -3.510 1.016 -0.911) 3.766 2.722 ( -2.190 1.613 0.791) 2.833 2.761 ( 0.503 -1.526 -3.422) 3.781 2.829 ( -1.775 2.801 0.220) 3.323 2.900 ( -1.440 4.292 -3.307) 5.607 3.053 ( -11.089 4.728 1.493) 12.147 3.083 ( -12.008 6.242 -0.716) 13.552 3.344 ( 0.008 -0.177 6.594) 6.597 3.407 ( 0.028 -1.139 0.812) 1.399 4.097 ( -0.224 0.829 0.310) 0.913 4.103 ( -0.517 0.547 -0.275) 0.801 4.110 ( -0.296 0.162 0.243) 0.416 4.115 ( -0.398 0.514 -0.117) 0.661 4.356 ( 2.076 0.330 3.205) 3.833 4.436 ( 1.166 0.941 -3.187) 3.522 4.534 ( 0.824 -4.907 1.805) 5.293 4.582 ( 0.324 -2.864 -1.267) 3.148 4.693 ( 2.666 -0.451 1.220) 2.967 4.726 ( -0.570 -0.485 -1.039) 1.281 4.819 ( -2.591 1.001 0.491) 2.820 4.845 ( -2.441 1.905 -1.602) 3.487 4.938 ( -3.413 1.346 3.847) 5.316 5.031 ( -3.312 -0.743 -4.094) 5.318 5.218 ( 2.921 0.073 0.904) 3.059 5.256 ( 2.988 0.040 -2.149) 3.681 5.378 ( 1.440 -5.436 7.280) 9.199 5.497 ( 2.759 -0.484 1.384) 3.124 5.519 ( 0.456 -0.928 0.477) 1.139 5.591 ( 2.053 -2.691 -6.441) 7.277 5.790 ( 4.182 -0.816 2.097) 4.749 5.848 ( 4.460 -0.301 -2.607) 5.175 ======================= Grid point 172 (58/86) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -9.403 2.638 5.742) 11.329 1.270 ( -13.639 -3.866 0.321) 14.180 1.417 ( -8.597 -0.045 -3.425) 9.255 1.461 ( -8.146 0.107 -4.484) 9.299 1.611 ( -4.741 -3.079 0.514) 5.676 1.661 ( -6.343 -1.371 -2.704) 7.030 1.702 ( -1.485 -0.664 1.278) 2.069 1.725 ( -1.321 -3.502 -0.316) 3.756 1.836 ( 0.021 -2.053 2.425) 3.178 1.865 ( 2.307 -2.490 1.226) 3.609 2.015 ( 0.156 2.276 2.853) 3.653 2.063 ( -0.336 -2.343 -1.082) 2.602 2.245 ( -3.325 -3.264 4.776) 6.672 2.319 ( -13.469 7.015 4.423) 15.818 2.383 ( -5.161 -3.736 -3.089) 7.081 2.436 ( -9.662 4.100 -4.762) 11.526 2.526 ( -5.878 -0.385 -0.373) 5.903 2.585 ( -3.193 1.060 -1.391) 3.640 2.668 ( -6.418 2.557 -2.519) 7.353 2.677 ( -12.972 1.231 -3.389) 13.464 2.734 ( 0.708 -0.330 -2.140) 2.278 2.800 ( -0.174 0.366 -4.248) 4.268 2.873 ( -2.182 0.589 3.874) 4.486 2.954 ( 1.112 1.895 -2.529) 3.350 3.344 ( -0.301 -0.022 7.111) 7.118 3.407 ( -0.517 -0.172 1.127) 1.252 4.020 ( -4.254 0.464 0.382) 4.296 4.029 ( -3.842 0.125 -0.401) 3.865 4.169 ( 3.445 0.887 0.308) 3.571 4.176 ( 3.439 0.214 -0.247) 3.454 4.421 ( 3.946 1.903 2.077) 4.849 4.468 ( 2.394 1.629 -1.776) 3.396 4.547 ( -2.067 -1.102 1.728) 2.911 4.589 ( -2.129 -0.771 -1.657) 2.806 4.731 ( -1.338 -0.921 2.144) 2.690 4.753 ( 1.755 0.039 2.352) 2.935 4.790 ( -1.615 -0.493 -1.598) 2.325 4.826 ( 0.991 -0.321 -1.572) 1.886 4.845 ( 0.524 -0.069 1.891) 1.963 4.965 ( -2.692 -0.402 -4.923) 5.625 5.254 ( 0.657 0.298 0.953) 1.196 5.291 ( 0.503 0.189 -2.103) 2.170 5.462 ( 3.305 -7.449 6.808) 10.619 5.523 ( -0.472 -1.434 0.491) 1.588 5.541 ( 1.123 -0.413 1.583) 1.984 5.661 ( 3.344 -3.689 -7.297) 8.834 5.878 ( 4.355 0.177 2.758) 5.158 5.932 ( 4.024 0.691 -1.625) 4.394 ======================= Grid point 173 (59/86) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -16.391 -0.321 5.324) 17.237 0.979 ( -9.725 4.194 10.538) 14.940 1.193 ( -12.769 1.964 -6.298) 14.373 1.290 ( -7.749 3.881 -8.251) 11.966 1.521 ( -6.002 -3.370 -0.345) 6.892 1.556 ( -5.658 -2.624 -2.681) 6.789 1.694 ( -2.351 -1.012 2.540) 3.606 1.721 ( -0.470 -1.884 1.125) 2.244 1.803 ( -16.061 9.634 3.319) 19.021 1.846 ( -2.945 -1.834 0.659) 3.531 1.912 ( -2.702 -0.442 4.892) 5.606 1.978 ( -12.067 2.335 -0.802) 12.317 2.076 ( -3.075 0.092 4.653) 5.578 2.136 ( -5.186 -2.373 -0.659) 5.741 2.187 ( -8.107 -4.197 -1.541) 9.258 2.249 ( -12.541 2.854 -4.003) 13.470 2.307 ( -7.481 -1.460 1.212) 7.718 2.432 ( -10.352 -1.176 -4.830) 11.483 2.564 ( -2.435 2.255 -1.677) 3.719 2.596 ( 1.049 0.799 -4.122) 4.328 2.780 ( 1.504 0.195 -2.470) 2.899 2.804 ( 0.260 0.815 -2.977) 3.098 2.927 ( 4.903 -3.763 4.718) 7.775 3.032 ( 5.230 -3.939 -3.517) 7.432 3.331 ( -0.698 0.836 6.902) 6.987 3.394 ( -0.340 1.274 0.948) 1.624 3.914 ( -7.706 -0.463 1.151) 7.805 3.945 ( -5.405 -0.767 -1.322) 5.617 4.209 ( 0.121 -0.134 0.026) 0.183 4.217 ( 0.222 -0.764 -0.729) 1.079 4.420 ( -9.381 2.016 1.509) 9.713 4.449 ( -5.503 1.615 -0.476) 5.755 4.489 ( -0.544 2.577 0.447) 2.671 4.505 ( 2.316 2.592 -0.200) 3.482 4.694 ( -3.508 -1.243 0.423) 3.745 4.733 ( -0.555 -1.526 -2.040) 2.607 4.802 ( 1.472 -2.782 0.611) 3.206 4.883 ( 0.416 0.357 -5.556) 5.583 4.914 ( 7.161 -0.899 5.117) 8.847 5.032 ( 8.022 0.646 -3.953) 8.966 5.238 ( -1.942 0.527 1.169) 2.328 5.276 ( -1.623 0.503 -2.089) 2.693 5.515 ( -0.582 -0.600 1.185) 1.450 5.542 ( 0.027 -1.397 -0.807) 1.614 5.605 ( 5.029 -7.833 7.068) 11.688 5.766 ( 4.921 -3.992 -5.875) 8.641 5.963 ( 4.859 1.722 3.398) 6.174 6.006 ( 4.534 1.865 0.029) 4.903 ======================= Grid point 174 (60/86) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -13.772 4.935 10.675) 18.111 0.768 ( -9.043 7.897 13.851) 18.330 0.935 ( -10.076 5.399 -10.050) 15.221 1.074 ( -11.575 6.539 -10.294) 16.814 1.221 ( -20.892 14.402 14.867) 29.409 1.461 ( -4.283 -2.652 2.368) 5.566 1.467 ( -5.295 -2.471 -0.555) 5.869 1.634 ( -10.772 -0.664 -9.636) 14.468 1.716 ( -5.482 -1.445 2.735) 6.294 1.759 ( 0.661 -1.116 0.476) 1.382 1.783 ( -1.821 -1.201 0.922) 2.368 1.836 ( -6.221 0.883 -3.984) 7.439 2.036 ( -1.431 -3.876 7.317) 8.403 2.065 ( -1.175 0.771 -1.788) 2.274 2.097 ( -4.049 -3.479 -1.488) 5.542 2.162 ( -0.028 -1.683 0.500) 1.756 2.210 ( -2.281 -1.054 -1.039) 2.719 2.270 ( -6.610 -3.683 -4.676) 8.895 2.518 ( -0.505 2.891 3.287) 4.407 2.624 ( 1.995 0.401 -5.418) 5.788 2.795 ( 0.276 0.158 -1.493) 1.527 2.813 ( 1.425 1.249 -3.783) 4.231 3.044 ( 3.673 -4.864 5.074) 7.930 3.160 ( 4.057 -5.565 -4.034) 7.982 3.315 ( 0.129 1.711 6.738) 6.953 3.384 ( 0.568 2.432 0.290) 2.514 3.664 ( -16.716 -0.446 2.651) 16.931 3.770 ( -15.322 -2.465 -6.440) 16.802 4.162 ( -3.767 -1.049 -0.413) 3.933 4.177 ( -6.148 -3.115 -2.416) 7.303 4.282 ( -2.211 1.702 0.870) 2.923 4.309 ( -3.885 1.490 -1.804) 4.535 4.483 ( -0.245 2.559 2.677) 3.711 4.526 ( 1.416 3.991 -0.019) 4.235 4.626 ( -2.254 3.551 -0.394) 4.225 4.718 ( -0.557 2.926 -5.144) 5.944 4.872 ( 3.031 -3.602 0.785) 4.772 4.921 ( 2.800 -1.591 -3.096) 4.467 5.055 ( 5.173 -1.914 5.452) 7.755 5.160 ( 3.348 -0.323 -2.148) 3.991 5.185 ( -2.324 0.621 0.900) 2.568 5.235 ( -0.858 2.162 -3.379) 4.102 5.509 ( -0.242 -0.378 0.896) 1.002 5.542 ( -0.230 -0.341 -1.492) 1.548 5.758 ( 4.594 -8.208 5.923) 11.115 5.877 ( 3.525 -2.263 -4.306) 6.007 6.060 ( 5.500 0.065 5.727) 7.940 6.112 ( 7.562 0.807 1.562) 7.763 ======================= Grid point 175 (61/86) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 10.355 14.700) 17.982 0.527 ( 0.000 13.284 15.115) 20.122 0.789 ( 0.000 6.327 -7.550) 9.850 0.870 ( 0.000 6.193 -13.831) 15.155 0.926 ( 0.000 11.210 24.228) 26.696 1.394 ( -0.000 -0.578 6.285) 6.312 1.480 ( -0.000 -4.545 -14.186) 14.896 1.501 ( -0.000 -0.781 -3.007) 3.107 1.643 ( -0.000 -2.337 3.565) 4.262 1.760 ( 0.000 2.651 -6.557) 7.073 1.783 ( -0.000 -1.050 0.334) 1.102 1.794 ( -0.000 -0.523 -0.415) 0.667 2.017 ( 0.000 2.153 3.076) 3.754 2.067 ( -0.000 -3.297 -0.177) 3.302 2.093 ( -0.000 -5.867 2.289) 6.298 2.172 ( -0.000 -0.926 1.081) 1.423 2.199 ( -0.000 -1.989 -1.069) 2.258 2.234 ( -0.000 -3.572 -3.973) 5.343 2.504 ( 0.000 2.385 5.328) 5.838 2.660 ( -0.000 -0.528 -4.976) 5.003 2.799 ( -0.000 -0.217 -1.466) 1.482 2.834 ( 0.000 1.775 -6.608) 6.843 3.110 ( -0.000 -4.554 5.369) 7.040 3.233 ( -0.000 -4.525 -4.105) 6.109 3.326 ( 0.000 0.591 7.554) 7.577 3.422 ( 0.000 0.286 0.412) 0.502 3.425 ( 0.000 6.177 -2.079) 6.517 3.433 ( 0.000 0.217 -0.394) 0.450 4.100 ( -0.000 -0.311 1.008) 1.055 4.126 ( -0.000 -0.206 -1.058) 1.078 4.263 ( -0.000 -0.036 0.753) 0.753 4.281 ( -0.000 -0.133 -0.709) 0.721 4.461 ( 0.000 2.308 3.118) 3.879 4.511 ( 0.000 5.031 -1.623) 5.286 4.579 ( 0.000 4.465 2.593) 5.163 4.695 ( 0.000 2.714 -5.016) 5.703 4.927 ( -0.000 -2.553 0.858) 2.693 4.970 ( -0.000 -2.429 -2.781) 3.692 5.122 ( -0.000 -2.275 5.045) 5.534 5.150 ( 0.000 0.112 0.759) 0.768 5.169 ( 0.000 0.108 -0.760) 0.767 5.237 ( 0.000 2.117 -4.179) 4.685 5.509 ( -0.000 -0.142 0.737) 0.751 5.540 ( -0.000 -0.094 -1.618) 1.621 5.844 ( -0.000 -5.878 2.940) 6.573 5.915 ( 0.000 0.505 -3.209) 3.248 6.136 ( -0.000 -2.274 7.027) 7.385 6.248 ( -0.000 -4.667 -1.758) 4.987 ======================= Grid point 178 (62/86) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 9.781 -0.000 2.757) 10.163 1.486 ( 5.738 -0.000 -7.964) 9.816 1.557 ( 1.980 -0.000 0.565) 2.059 1.589 ( 1.719 -0.000 -1.514) 2.291 1.710 ( 0.888 -0.000 0.875) 1.246 1.741 ( -0.146 0.000 -1.960) 1.966 1.827 ( 7.878 -0.000 1.317) 7.987 1.865 ( 7.892 -0.000 -1.205) 7.983 1.891 ( 0.933 -0.000 4.080) 4.185 1.911 ( -4.080 0.000 1.427) 4.323 2.026 ( 6.082 -0.000 0.578) 6.110 2.035 ( 3.429 -0.000 0.418) 3.455 2.415 ( 7.402 -0.000 4.397) 8.610 2.427 ( 0.272 -0.000 1.810) 1.830 2.496 ( 3.032 -0.000 -0.204) 3.039 2.501 ( -1.486 0.000 -0.015) 1.486 2.553 ( -6.631 0.000 1.787) 6.868 2.586 ( -0.772 0.000 0.401) 0.870 2.706 ( -0.193 0.000 -10.130) 10.132 2.744 ( -0.206 0.000 3.867) 3.872 2.746 ( 1.930 -0.000 -9.105) 9.307 2.829 ( 4.285 -0.000 -3.085) 5.280 2.952 ( 9.632 -0.000 0.224) 9.634 2.959 ( 11.454 -0.000 -0.290) 11.458 3.354 ( -0.159 0.000 7.895) 7.897 3.430 ( 0.382 -0.000 0.839) 0.922 4.092 ( -2.197 0.000 0.389) 2.231 4.093 ( 3.697 -0.000 0.325) 3.711 4.101 ( -2.219 0.000 -0.308) 2.240 4.103 ( 3.504 -0.000 -0.386) 3.525 4.349 ( -0.835 0.000 2.698) 2.824 4.414 ( 0.193 -0.000 -2.460) 2.468 4.620 ( -0.443 0.000 2.695) 2.731 4.646 ( 2.061 -0.000 0.819) 2.218 4.708 ( -3.626 0.000 -1.042) 3.773 4.717 ( 0.538 -0.000 -2.013) 2.084 4.779 ( 2.891 -0.000 0.911) 3.032 4.825 ( 1.054 -0.000 -2.679) 2.879 4.914 ( 2.722 -0.000 5.961) 6.553 5.041 ( 3.088 -0.000 -4.378) 5.357 5.217 ( -2.763 0.000 1.045) 2.954 5.257 ( -2.695 0.000 -2.342) 3.571 5.478 ( -2.881 0.000 2.939) 4.115 5.506 ( -2.756 0.000 2.969) 4.051 5.592 ( -3.769 0.000 -1.814) 4.183 5.614 ( -2.714 0.000 -1.433) 3.069 5.809 ( -3.714 0.000 1.017) 3.851 5.857 ( -3.498 0.000 -2.531) 4.317 ======================= Grid point 179 (63/86) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 7.339 0.028 -0.868) 7.390 1.571 ( 2.302 0.478 -4.440) 5.024 1.579 ( 1.210 -0.099 0.258) 1.241 1.602 ( -0.041 -0.662 -1.500) 1.641 1.694 ( -1.033 -0.062 0.435) 1.122 1.709 ( -1.914 0.085 -1.032) 2.176 1.839 ( -2.235 3.467 2.318) 4.732 1.850 ( -0.940 1.444 1.407) 2.224 1.999 ( 2.626 -1.725 1.543) 3.500 2.005 ( 3.668 -1.233 -0.061) 3.870 2.109 ( 2.187 1.211 1.939) 3.163 2.123 ( 5.176 1.543 0.554) 5.429 2.321 ( -6.938 4.371 0.185) 8.203 2.341 ( -8.841 2.156 -1.217) 9.181 2.453 ( -1.454 -3.639 2.765) 4.796 2.515 ( -0.336 -1.359 0.016) 1.400 2.543 ( 0.297 -2.774 -0.253) 2.802 2.563 ( 0.548 -2.325 -1.901) 3.053 2.748 ( 2.100 0.494 -4.509) 4.998 2.780 ( 1.848 0.778 -6.199) 6.516 2.804 ( 4.190 -0.322 2.745) 5.019 2.909 ( 3.837 1.191 -3.728) 5.481 3.135 ( 7.699 -1.065 2.869) 8.285 3.188 ( 10.068 -1.604 -1.345) 10.283 3.346 ( -0.489 0.022 7.369) 7.385 3.424 ( -0.775 0.107 0.326) 0.848 4.064 ( -0.566 0.080 0.273) 0.634 4.071 ( -0.488 0.038 -0.211) 0.533 4.161 ( 2.019 0.053 0.089) 2.022 4.164 ( 2.464 0.068 -0.125) 2.468 4.347 ( 0.520 -0.297 2.993) 3.052 4.424 ( 0.497 -0.195 -3.203) 3.247 4.625 ( 0.225 1.834 2.326) 2.971 4.663 ( -0.931 -0.683 1.417) 1.828 4.674 ( 1.336 1.815 -0.890) 2.423 4.719 ( -0.381 -1.209 -2.741) 3.020 4.854 ( 3.929 -0.012 0.303) 3.941 4.861 ( 2.215 -0.893 -0.047) 2.389 4.958 ( 2.608 -0.075 4.879) 5.533 5.086 ( 1.276 0.080 -5.112) 5.269 5.144 ( -4.400 0.011 0.661) 4.449 5.184 ( -4.536 0.040 -2.596) 5.226 5.419 ( -2.451 0.667 3.602) 4.407 5.439 ( -3.793 0.036 3.773) 5.350 5.531 ( -2.036 0.669 -0.648) 2.239 5.557 ( -2.932 -0.219 -0.575) 2.996 5.738 ( -3.085 0.158 -0.609) 3.149 5.781 ( -3.640 0.264 -3.247) 4.885 ======================= Grid point 180 (64/86) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.425 0.241 0.054) 0.491 1.597 ( 1.158 -0.183 -0.743) 1.388 1.608 ( -0.931 -1.098 -1.405) 2.012 1.639 ( 2.166 -0.286 -3.658) 4.261 1.686 ( 0.634 0.092 -0.020) 0.641 1.688 ( 0.859 -0.126 -0.142) 0.880 1.733 ( -6.099 5.598 3.332) 8.924 1.792 ( -4.164 3.372 -0.769) 5.413 1.994 ( -3.963 -4.520 2.501) 6.510 2.016 ( -2.589 -2.924 0.405) 3.926 2.128 ( 0.328 1.928 1.396) 2.403 2.158 ( 0.059 2.126 -0.359) 2.157 2.200 ( -4.317 -1.218 0.577) 4.522 2.218 ( -3.308 -2.115 -0.464) 3.953 2.474 ( 1.920 -0.854 0.028) 2.101 2.503 ( -1.132 -1.428 -2.112) 2.789 2.567 ( 1.326 -2.566 -0.042) 2.888 2.611 ( 2.444 -1.314 -2.882) 4.001 2.784 ( 2.014 1.558 -1.379) 2.896 2.797 ( 0.394 0.279 -3.981) 4.010 2.872 ( 2.569 1.449 2.074) 3.605 2.961 ( 2.699 3.338 -3.109) 5.300 3.253 ( 3.343 -0.690 4.572) 5.706 3.333 ( 2.962 1.194 -1.324) 3.457 3.342 ( 0.518 0.067 6.363) 6.385 3.417 ( 0.174 -1.662 -0.901) 1.898 4.062 ( 0.295 0.314 0.371) 0.568 4.070 ( 0.231 0.263 -0.247) 0.428 4.176 ( -0.214 0.172 0.255) 0.374 4.182 ( -0.260 0.558 -0.189) 0.644 4.370 ( 1.072 -1.492 2.270) 2.921 4.429 ( -0.325 -0.330 -2.678) 2.718 4.561 ( -4.560 1.794 2.494) 5.499 4.618 ( -4.115 -1.446 -1.953) 4.779 4.704 ( 0.544 0.313 1.406) 1.540 4.740 ( 1.061 -0.130 -1.942) 2.216 4.898 ( 2.680 -0.029 3.294) 4.247 4.948 ( 4.315 0.547 -1.050) 4.475 5.033 ( -5.021 -0.058 1.470) 5.232 5.038 ( 4.292 -0.049 1.635) 4.593 5.087 ( -4.599 -0.502 -3.190) 5.619 5.113 ( 1.394 0.125 -4.922) 5.117 5.366 ( -3.370 -0.383 5.498) 6.460 5.395 ( 0.617 0.364 4.019) 4.082 5.503 ( -0.608 0.229 -0.558) 0.856 5.518 ( -0.821 -0.239 -1.362) 1.608 5.695 ( -1.056 -0.126 -1.032) 1.482 5.732 ( -0.613 0.224 -3.332) 3.396 ======================= Grid point 181 (65/86) ======================= q-point: (-0.58 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -5.407 0.700 1.277) 5.600 1.556 ( -6.486 0.208 2.475) 6.945 1.583 ( -0.867 -0.754 2.670) 2.906 1.616 ( -1.011 -0.248 -1.903) 2.169 1.649 ( 0.806 -1.782 -2.127) 2.889 1.662 ( -6.360 0.456 -3.201) 7.135 1.716 ( 1.932 0.024 0.381) 1.970 1.749 ( 3.063 -0.397 -3.287) 4.510 1.894 ( -8.377 -4.074 2.691) 9.696 1.936 ( -7.040 -3.572 -0.340) 7.902 2.098 ( -1.652 0.882 2.248) 2.926 2.116 ( -4.872 -1.189 0.342) 5.026 2.169 ( -0.124 -1.493 1.537) 2.146 2.238 ( 5.383 2.699 -2.477) 6.511 2.481 ( -0.846 -2.600 -0.126) 2.737 2.523 ( 1.663 0.934 -2.962) 3.523 2.633 ( 2.934 -3.056 -0.752) 4.303 2.659 ( 1.866 -0.764 -2.091) 2.904 2.782 ( -1.605 0.411 -2.035) 2.624 2.797 ( -0.975 1.298 -1.811) 2.431 2.891 ( 0.718 3.061 2.449) 3.986 2.977 ( 0.983 4.187 -2.871) 5.171 3.264 ( -2.725 1.311 4.570) 5.480 3.323 ( -2.317 3.500 1.020) 4.320 3.348 ( 0.203 0.133 4.436) 4.443 3.409 ( -2.387 -0.806 -1.797) 3.095 4.073 ( 1.167 0.438 0.165) 1.257 4.076 ( 0.750 0.257 -0.081) 0.797 4.162 ( -1.131 0.332 0.118) 1.185 4.162 ( -1.258 0.466 0.137) 1.349 4.379 ( -1.949 0.344 2.003) 2.816 4.424 ( 0.553 -1.748 -0.597) 1.928 4.473 ( -3.000 -1.322 1.067) 3.448 4.542 ( -3.386 -2.467 -3.605) 5.527 4.687 ( -1.125 0.305 2.649) 2.894 4.738 ( -0.951 -0.226 -1.757) 2.011 4.906 ( -3.962 1.120 1.096) 4.261 4.933 ( -3.061 1.396 -0.532) 3.406 4.982 ( 1.005 1.325 2.225) 2.778 5.051 ( -0.692 -1.839 -3.500) 4.014 5.139 ( 4.797 -0.195 0.771) 4.863 5.178 ( 4.546 -0.109 -2.641) 5.259 5.319 ( -1.807 -1.900 7.658) 8.094 5.432 ( 2.748 -0.176 2.157) 3.497 5.501 ( 0.336 -0.086 -0.637) 0.725 5.527 ( 0.993 -1.212 -4.072) 4.363 5.707 ( 2.192 -0.661 0.849) 2.442 5.760 ( 3.219 -0.193 -3.126) 4.491 ======================= Grid point 182 (66/86) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -8.327 0.317 1.922) 8.552 1.430 ( -8.346 -1.748 0.311) 8.533 1.530 ( -6.035 -2.561 -2.014) 6.858 1.557 ( -2.813 -0.200 -1.562) 3.224 1.643 ( -1.268 -3.270 1.976) 4.025 1.652 ( -1.310 -2.668 1.020) 3.142 1.748 ( -2.033 0.100 2.787) 3.451 1.772 ( -1.735 -1.770 -0.987) 2.668 1.789 ( -2.762 -4.116 -1.752) 5.257 1.815 ( -1.865 0.204 -1.637) 2.490 2.014 ( -5.825 -3.543 0.927) 6.881 2.057 ( -1.942 -1.643 -1.075) 2.762 2.208 ( 2.959 0.454 3.246) 4.416 2.332 ( 4.712 2.732 -2.980) 6.209 2.495 ( 0.187 -2.832 0.702) 2.924 2.538 ( 0.499 1.614 -2.812) 3.281 2.651 ( -2.728 0.770 -1.812) 3.364 2.678 ( -4.575 2.541 -1.969) 5.592 2.734 ( -2.676 -0.102 -1.181) 2.927 2.737 ( -0.119 -1.695 -1.483) 2.255 2.862 ( -2.280 2.731 1.873) 4.020 2.943 ( -3.064 3.193 -2.945) 5.316 3.105 ( -11.149 4.184 2.513) 12.170 3.151 ( -11.688 5.489 -1.046) 12.955 3.345 ( -0.085 0.218 5.465) 5.470 3.395 ( 0.254 -1.084 0.956) 1.467 4.104 ( 0.759 0.149 0.141) 0.786 4.109 ( 1.685 0.388 -0.230) 1.745 4.116 ( -2.148 1.195 0.346) 2.483 4.122 ( -1.137 0.872 -0.079) 1.435 4.360 ( 2.217 0.399 3.490) 4.154 4.445 ( 0.975 0.450 -3.090) 3.272 4.478 ( 1.518 -4.732 1.768) 5.274 4.544 ( 0.945 -3.647 -3.035) 4.837 4.689 ( 2.070 -0.149 1.951) 2.848 4.719 ( -0.869 -0.674 -0.622) 1.264 4.826 ( -2.819 0.355 1.372) 3.155 4.871 ( -2.093 2.441 -1.894) 3.732 4.954 ( -3.699 1.423 2.536) 4.706 5.020 ( -3.447 -1.232 -3.505) 5.068 5.219 ( 3.072 0.030 0.935) 3.211 5.257 ( 3.104 0.117 -1.909) 3.646 5.321 ( 0.112 -4.441 8.591) 9.672 5.492 ( 2.732 -0.410 0.230) 2.772 5.511 ( 0.490 -0.427 0.188) 0.676 5.559 ( 1.132 -2.796 -6.391) 7.067 5.782 ( 4.491 -0.657 2.467) 5.166 5.845 ( 4.740 -0.216 -2.726) 5.472 ======================= Grid point 183 (67/86) ======================= q-point: (-0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -7.960 2.764 3.723) 9.212 1.234 ( -12.256 -2.036 2.167) 12.612 1.411 ( -8.002 -0.999 -3.332) 8.725 1.469 ( -5.872 1.169 -4.783) 7.663 1.562 ( -4.695 -4.467 2.076) 6.805 1.629 ( -7.494 -3.863 -3.015) 8.954 1.687 ( -2.442 -3.083 1.651) 4.266 1.714 ( -0.524 1.509 -0.330) 1.631 1.817 ( 0.557 -1.037 3.435) 3.631 1.845 ( 2.646 -1.343 0.669) 3.042 1.977 ( -0.631 -8.059 1.606) 8.242 2.048 ( -0.345 -0.348 -1.364) 1.449 2.231 ( -2.292 0.575 3.135) 3.925 2.352 ( -6.457 -1.116 -1.773) 6.789 2.385 ( -9.512 3.462 2.500) 10.426 2.472 ( -11.509 2.229 -4.097) 12.418 2.533 ( -2.632 1.501 -0.524) 3.075 2.597 ( -3.282 1.081 -2.021) 4.003 2.697 ( -7.776 3.111 -0.482) 8.389 2.704 ( -9.223 3.035 -4.736) 10.803 2.740 ( -2.275 1.448 -1.272) 2.982 2.804 ( -0.743 0.549 -3.724) 3.837 2.881 ( -5.576 0.779 4.349) 7.114 2.970 ( -3.015 0.799 -2.583) 4.050 3.344 ( -0.028 0.039 6.688) 6.688 3.404 ( 0.158 -0.317 1.038) 1.096 4.028 ( -4.576 1.018 0.308) 4.698 4.035 ( -3.966 0.925 -0.262) 4.081 4.173 ( 2.940 -0.451 0.130) 2.977 4.177 ( 3.085 0.096 -0.100) 3.088 4.438 ( 4.350 1.057 1.932) 4.876 4.476 ( 1.933 -0.312 -0.678) 2.073 4.540 ( 2.302 -0.244 0.672) 2.411 4.576 ( -0.069 -1.484 -1.669) 2.234 4.718 ( -0.536 -1.213 2.009) 2.407 4.757 ( 0.107 0.588 2.561) 2.629 4.790 ( -4.253 0.323 -1.688) 4.588 4.821 ( 1.331 -0.517 -2.841) 3.180 4.844 ( -1.707 -0.119 3.042) 3.490 4.959 ( -1.696 -0.584 -4.868) 5.188 5.258 ( 0.883 0.436 0.830) 1.288 5.293 ( 0.415 0.128 -2.055) 2.101 5.377 ( 2.502 -7.023 8.989) 11.679 5.513 ( -0.128 -0.530 -0.040) 0.547 5.537 ( 0.944 -0.440 1.065) 1.490 5.616 ( 2.958 -3.913 -7.746) 9.169 5.879 ( 5.019 0.004 2.903) 5.798 5.938 ( 4.658 0.511 -1.951) 5.076 ======================= Grid point 184 (68/86) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -13.120 1.859 5.775) 14.455 1.044 ( -6.883 6.438 6.669) 11.545 1.220 ( -10.150 2.807 -5.255) 11.769 1.332 ( -6.343 3.417 -6.728) 9.858 1.478 ( -6.467 -3.746 0.083) 7.474 1.520 ( -5.233 -3.991 -3.342) 7.381 1.668 ( -1.046 -3.337 1.872) 3.967 1.703 ( -0.919 -1.313 -0.353) 1.641 1.822 ( -2.678 -1.281 4.077) 5.044 1.880 ( -2.318 1.078 0.508) 2.607 1.940 ( -12.030 6.188 3.266) 13.917 1.995 ( -8.787 -1.786 -0.723) 8.996 2.076 ( -6.671 -5.963 1.921) 9.152 2.095 ( -10.259 4.519 6.955) 13.192 2.148 ( -10.173 -2.800 -2.175) 10.773 2.283 ( -11.431 2.095 4.773) 12.563 2.301 ( -8.425 0.230 -7.720) 11.429 2.432 ( -9.873 2.368 -3.629) 10.782 2.588 ( -1.445 1.686 -5.428) 5.864 2.607 ( 0.002 1.226 -3.926) 4.113 2.783 ( 1.410 0.110 -1.652) 2.175 2.809 ( -0.300 -0.247 -1.852) 1.892 2.887 ( 3.937 -3.000 3.570) 6.103 2.982 ( 2.838 -4.715 -3.429) 6.484 3.340 ( -0.053 0.850 7.064) 7.115 3.407 ( 0.356 0.901 0.813) 1.265 3.910 ( -8.296 -0.253 1.219) 8.388 3.939 ( -6.219 -0.246 -1.124) 6.324 4.202 ( -1.093 -1.687 -0.364) 2.043 4.203 ( -1.276 -1.004 -0.362) 1.663 4.445 ( -7.042 2.262 1.004) 7.464 4.466 ( -7.728 1.304 -0.631) 7.862 4.522 ( 0.461 3.051 1.208) 3.314 4.535 ( 2.049 2.512 0.763) 3.330 4.683 ( -1.184 -0.612 -0.260) 1.358 4.704 ( 0.207 -3.369 -1.944) 3.895 4.778 ( 1.399 -1.332 1.854) 2.678 4.891 ( 2.800 0.868 -2.900) 4.123 4.903 ( 4.769 -0.863 2.702) 5.549 5.035 ( 7.823 -0.257 -4.365) 8.962 5.245 ( -1.743 0.782 0.819) 2.079 5.280 ( -1.304 0.124 -2.233) 2.588 5.484 ( 2.486 -6.560 4.752) 8.473 5.516 ( 0.901 -0.992 1.919) 2.341 5.553 ( 1.156 -1.593 2.376) 3.085 5.717 ( 4.593 -4.475 -6.861) 9.391 5.981 ( 5.534 1.342 3.008) 6.440 6.026 ( 4.840 1.615 -0.489) 5.126 ======================= Grid point 185 (69/86) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -8.448 8.479 9.127) 15.052 0.877 ( -5.011 11.142 9.402) 15.416 1.008 ( -7.575 7.232 -8.184) 13.291 1.156 ( -9.054 7.532 -8.483) 14.514 1.362 ( -10.932 5.388 4.221) 12.898 1.422 ( -4.641 -1.182 -0.630) 4.830 1.477 ( -11.965 4.767 5.245) 13.907 1.611 ( -10.453 -2.121 -3.432) 11.205 1.706 ( -2.746 -0.922 3.045) 4.202 1.741 ( -6.607 -2.247 3.571) 7.840 1.767 ( -0.625 -1.331 -1.187) 1.890 1.841 ( -5.598 0.078 -2.101) 5.980 1.963 ( -3.005 -6.497 7.312) 10.232 2.046 ( -4.180 -5.241 -1.266) 6.822 2.086 ( -0.005 -0.898 -1.372) 1.640 2.150 ( -1.037 -0.091 -0.486) 1.148 2.195 ( -3.615 -2.319 -4.104) 5.940 2.244 ( -7.330 1.529 -3.622) 8.318 2.554 ( -0.125 2.968 1.294) 3.240 2.628 ( 1.604 0.069 -5.137) 5.382 2.793 ( -0.076 -0.625 -1.894) 1.996 2.818 ( 1.252 -0.685 -2.989) 3.312 2.988 ( 3.240 -4.572 4.074) 6.928 3.086 ( 3.086 -6.857 -3.613) 8.343 3.338 ( 0.865 2.088 7.013) 7.369 3.410 ( 0.818 1.992 0.099) 2.156 3.659 ( -15.997 -0.468 2.508) 16.200 3.742 ( -15.231 -2.445 -4.269) 16.006 4.147 ( -4.716 -2.072 -0.574) 5.183 4.153 ( -2.945 -0.576 -0.720) 3.086 4.297 ( -3.954 0.858 0.770) 4.118 4.319 ( -4.764 0.425 -1.196) 4.930 4.522 ( 0.967 4.059 4.020) 5.793 4.570 ( 1.928 3.625 1.303) 4.308 4.669 ( 0.145 3.755 -2.013) 4.263 4.743 ( 1.208 0.662 -5.976) 6.133 4.831 ( 2.523 -2.930 1.938) 4.324 4.911 ( 1.768 0.474 -4.390) 4.756 5.033 ( 4.863 -1.985 6.850) 8.631 5.156 ( 2.594 -0.374 -1.936) 3.258 5.193 ( -2.388 0.811 0.608) 2.594 5.257 ( 0.224 1.506 -5.231) 5.448 5.503 ( -0.137 -0.892 0.992) 1.340 5.536 ( 0.031 -0.586 -1.398) 1.517 5.662 ( 4.546 -8.125 8.435) 12.563 5.835 ( 4.060 -4.752 -5.289) 8.187 6.073 ( 4.319 1.926 4.164) 6.301 6.122 ( 5.737 0.965 0.752) 5.866 ======================= Grid point 186 (70/86) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 11.676 11.893) 16.666 0.711 ( 0.000 18.220 10.019) 20.793 0.881 ( 0.000 9.128 -10.602) 13.990 0.965 ( 0.000 10.017 -10.917) 14.816 1.096 ( 0.000 17.620 18.725) 25.712 1.384 ( -0.000 -1.067 5.512) 5.615 1.422 ( -0.000 -4.893 -4.918) 6.937 1.487 ( -0.000 -1.754 -3.316) 3.751 1.620 ( -0.000 -2.120 2.437) 3.230 1.767 ( -0.000 -1.915 0.959) 2.142 1.776 ( -0.000 -0.085 -6.623) 6.624 1.783 ( -0.000 -1.372 -0.374) 1.422 1.966 ( -0.000 -8.851 7.485) 11.591 2.040 ( -0.000 -5.259 -2.173) 5.690 2.081 ( 0.000 5.076 -2.429) 5.627 2.158 ( -0.000 -1.498 0.343) 1.537 2.168 ( -0.000 -3.303 -0.480) 3.338 2.177 ( -0.000 -4.682 -5.376) 7.128 2.540 ( 0.000 3.453 4.796) 5.910 2.653 ( -0.000 -0.598 -4.972) 5.008 2.796 ( -0.000 -0.461 -1.126) 1.217 2.848 ( 0.000 0.057 -5.462) 5.462 3.050 ( -0.000 -5.435 4.729) 7.204 3.160 ( -0.000 -7.624 -4.033) 8.625 3.352 ( 0.000 3.333 8.875) 9.480 3.427 ( 0.000 0.476 0.362) 0.598 3.436 ( 0.000 0.364 -0.360) 0.512 3.483 ( 0.000 3.712 -3.191) 4.895 4.096 ( -0.000 -0.333 1.084) 1.134 4.123 ( -0.000 -0.165 -1.106) 1.118 4.261 ( -0.000 -0.263 0.683) 0.732 4.278 ( -0.000 -0.436 -0.654) 0.786 4.504 ( 0.000 4.952 4.195) 6.490 4.566 ( 0.000 4.458 0.534) 4.489 4.641 ( 0.000 5.733 -1.662) 5.969 4.737 ( 0.000 4.049 -6.528) 7.682 4.885 ( -0.000 -4.419 1.208) 4.581 4.942 ( -0.000 -2.051 -3.230) 3.827 5.096 ( -0.000 -2.093 6.979) 7.286 5.152 ( 0.000 0.194 0.756) 0.781 5.171 ( 0.000 0.185 -0.757) 0.779 5.263 ( 0.000 2.227 -6.472) 6.844 5.505 ( -0.000 -0.493 0.824) 0.960 5.538 ( -0.000 -0.230 -1.522) 1.539 5.760 ( -0.000 -8.430 6.994) 10.953 5.901 ( -0.000 -3.049 -4.592) 5.512 6.117 ( -0.000 -0.309 6.405) 6.412 6.205 ( -0.000 -2.507 -0.150) 2.512 ======================= Grid point 191 (71/86) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -1.163 0.000 -0.078) 1.165 1.593 ( 1.008 -0.000 -1.579) 1.874 1.602 ( -0.321 0.000 -0.782) 0.845 1.638 ( 2.371 -0.000 -3.796) 4.475 1.687 ( 0.703 -0.000 -0.078) 0.708 1.687 ( 0.695 -0.000 0.015) 0.695 1.773 ( -7.329 0.000 3.039) 7.934 1.814 ( -4.192 0.000 0.405) 4.211 1.960 ( -4.348 0.000 3.201) 5.399 1.997 ( -2.846 0.000 -0.425) 2.878 2.141 ( 0.737 -0.000 2.127) 2.251 2.175 ( -1.020 0.000 -0.723) 1.250 2.191 ( -5.512 0.000 -0.315) 5.521 2.201 ( -2.436 0.000 -0.087) 2.437 2.472 ( 3.290 -0.000 -0.745) 3.373 2.489 ( -1.767 0.000 -2.926) 3.418 2.554 ( 1.576 -0.000 1.146) 1.949 2.604 ( 2.769 -0.000 -2.891) 4.003 2.792 ( 1.970 -0.000 -2.355) 3.070 2.798 ( 0.184 -0.000 -4.164) 4.168 2.881 ( 2.996 -0.000 3.607) 4.689 2.981 ( 2.748 -0.000 -2.909) 4.002 3.249 ( 3.687 -0.000 4.479) 5.801 3.340 ( 2.009 -0.000 0.827) 2.172 3.345 ( 3.511 -0.000 2.374) 4.239 3.405 ( -0.882 0.000 0.655) 1.099 4.064 ( 0.324 -0.000 0.351) 0.477 4.071 ( 0.263 -0.000 -0.241) 0.357 4.178 ( -0.235 0.000 0.324) 0.400 4.186 ( -0.240 0.000 -0.341) 0.417 4.360 ( 0.965 -0.000 2.599) 2.773 4.426 ( -0.265 0.000 -2.910) 2.922 4.575 ( -5.818 0.000 1.971) 6.143 4.607 ( -3.810 0.000 -1.199) 3.995 4.706 ( 0.251 -0.000 1.268) 1.293 4.739 ( 1.317 -0.000 -2.024) 2.414 4.898 ( 3.184 -0.000 3.418) 4.671 4.952 ( 5.078 -0.000 -1.181) 5.213 5.033 ( -5.791 0.000 1.355) 5.947 5.037 ( 4.914 -0.000 1.688) 5.196 5.084 ( -5.195 0.000 -3.051) 6.024 5.114 ( 1.343 -0.000 -5.003) 5.181 5.364 ( -3.565 0.000 5.563) 6.607 5.397 ( 0.397 -0.000 3.844) 3.865 5.505 ( -0.723 0.000 -0.522) 0.892 5.516 ( -0.935 0.000 -1.364) 1.654 5.694 ( -1.193 0.000 -0.944) 1.522 5.734 ( -0.729 0.000 -3.372) 3.449 ======================= Grid point 192 (72/86) ======================= q-point: (-0.67 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -4.030 0.070 1.839) 4.430 1.557 ( -6.330 0.005 3.028) 7.017 1.580 ( -4.378 0.009 3.221) 5.436 1.620 ( -1.123 0.682 -2.565) 2.882 1.631 ( -0.712 -1.214 -2.524) 2.890 1.669 ( -7.415 0.436 -3.028) 8.022 1.717 ( 1.746 0.055 0.316) 1.775 1.745 ( 2.580 -0.316 -3.227) 4.143 1.862 ( -6.359 -1.457 2.129) 6.863 1.905 ( -6.491 -1.547 -0.427) 6.687 2.101 ( -4.758 -0.148 0.456) 4.782 2.107 ( -4.043 -0.384 0.387) 4.080 2.161 ( 1.579 -0.121 4.301) 4.583 2.263 ( 6.626 1.380 -3.604) 7.668 2.459 ( -1.277 -1.098 -0.290) 1.708 2.530 ( 2.054 0.300 -4.870) 5.294 2.606 ( 3.203 -1.354 1.100) 3.647 2.653 ( 2.155 -0.262 -2.077) 3.005 2.785 ( -1.669 0.153 -2.294) 2.841 2.805 ( -1.103 0.294 -2.860) 3.080 2.917 ( 0.692 1.263 4.025) 4.275 3.009 ( 0.331 1.409 -2.155) 2.596 3.272 ( -1.592 0.268 4.926) 5.184 3.347 ( -0.769 0.141 4.518) 4.585 3.364 ( -1.037 3.066 -0.609) 3.294 3.394 ( -1.938 -1.945 -1.260) 3.021 4.076 ( 1.112 0.159 0.089) 1.126 4.078 ( 0.612 0.098 -0.040) 0.621 4.165 ( -0.807 0.211 0.182) 0.853 4.167 ( -1.148 0.342 0.051) 1.199 4.381 ( 0.332 -0.037 1.946) 1.974 4.406 ( -1.933 -0.986 0.837) 2.326 4.466 ( -3.284 -0.163 -0.177) 3.292 4.522 ( -4.035 -0.948 -3.957) 5.730 4.690 ( -1.093 0.125 2.671) 2.889 4.736 ( -1.125 -0.112 -1.406) 1.804 4.915 ( -5.284 0.394 1.552) 5.521 4.944 ( -1.324 0.486 0.169) 1.420 5.002 ( 0.442 2.078 -0.342) 2.152 5.028 ( -0.181 -2.249 -2.157) 3.122 5.137 ( 4.821 -0.087 0.839) 4.894 5.177 ( 4.668 -0.036 -2.667) 5.377 5.304 ( -2.476 -0.671 7.891) 8.298 5.430 ( 2.581 -0.070 1.820) 3.159 5.502 ( 0.343 0.137 -0.438) 0.573 5.516 ( 0.393 -0.633 -4.535) 4.596 5.702 ( 2.132 -0.233 1.146) 2.432 5.759 ( 3.103 -0.060 -3.163) 4.431 ======================= Grid point 193 (73/86) ======================= q-point: (-0.58 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -8.477 -1.533 1.746) 8.790 1.430 ( -8.623 0.879 1.036) 8.729 1.497 ( -6.202 -2.426 -0.304) 6.666 1.561 ( -2.290 0.427 -0.845) 2.478 1.611 ( 0.833 -2.127 1.720) 2.859 1.631 ( -4.425 -1.108 0.611) 4.602 1.731 ( -6.162 -2.393 -0.269) 6.615 1.758 ( 0.304 -1.276 -1.628) 2.091 1.771 ( -0.198 0.649 0.579) 0.892 1.816 ( -0.908 0.082 -1.320) 1.605 1.982 ( -6.772 -1.912 0.049) 7.037 2.030 ( -3.600 -2.556 -3.221) 5.466 2.226 ( 4.196 2.020 6.177) 7.736 2.365 ( 3.207 2.428 -3.516) 5.342 2.465 ( 1.027 -2.101 0.266) 2.354 2.553 ( 0.644 0.893 -5.296) 5.409 2.658 ( -0.760 0.443 -1.089) 1.400 2.698 ( 0.768 0.466 -1.431) 1.690 2.715 ( -3.506 -0.607 -0.398) 3.580 2.737 ( -4.633 -0.166 -2.215) 5.138 2.887 ( -2.867 1.588 2.826) 4.328 2.970 ( -3.638 1.680 -2.483) 4.714 3.144 ( -10.780 2.498 3.312) 11.551 3.201 ( -11.537 3.107 -1.038) 11.993 3.349 ( -0.495 0.374 4.335) 4.379 3.384 ( 0.580 -0.664 1.046) 1.368 4.103 ( 1.532 -0.121 0.282) 1.563 4.112 ( 1.960 0.088 -0.402) 2.003 4.132 ( -2.122 1.259 0.227) 2.478 4.134 ( -1.809 1.004 0.047) 2.069 4.366 ( 2.034 0.674 3.765) 4.332 4.423 ( 0.439 -3.602 1.963) 4.125 4.453 ( 1.975 -0.074 -2.960) 3.559 4.506 ( 1.394 -2.621 -4.327) 5.248 4.689 ( 1.682 0.102 2.077) 2.674 4.712 ( -1.125 -0.561 -0.249) 1.281 4.828 ( -2.933 0.137 2.166) 3.649 4.897 ( -1.681 1.857 -2.591) 3.604 4.969 ( -4.014 1.167 1.333) 4.388 5.004 ( -3.503 -1.482 -2.290) 4.440 5.219 ( 3.200 -0.051 1.192) 3.415 5.259 ( 3.011 0.191 -1.421) 3.335 5.282 ( -0.492 -2.395 8.664) 9.002 5.489 ( 2.904 -0.193 -0.894) 3.044 5.509 ( 0.393 0.061 -0.602) 0.722 5.531 ( 0.470 -2.022 -5.312) 5.703 5.776 ( 4.683 -0.365 2.714) 5.425 5.843 ( 4.916 -0.112 -2.821) 5.669 ======================= Grid point 194 (74/86) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -9.382 0.133 0.895) 9.425 1.249 ( -7.148 1.672 1.286) 7.453 1.399 ( -5.834 -0.723 -0.508) 5.900 1.484 ( -5.173 1.281 -3.999) 6.662 1.521 ( -5.119 -2.679 2.162) 6.168 1.586 ( -6.801 -3.531 -2.798) 8.158 1.658 ( -2.923 -1.814 3.806) 5.130 1.719 ( -1.977 -0.950 -0.931) 2.383 1.812 ( 0.948 -0.974 6.297) 6.442 1.821 ( 2.097 -2.965 1.115) 3.798 1.900 ( -1.919 -3.037 -1.352) 3.838 2.026 ( 0.604 -3.387 -5.146) 6.190 2.250 ( -2.331 2.574 3.357) 4.830 2.350 ( -6.441 0.229 -1.736) 6.675 2.399 ( -9.610 -0.400 2.390) 9.911 2.491 ( -11.529 1.142 -4.678) 12.494 2.552 ( -1.263 1.473 -0.971) 2.170 2.609 ( -2.980 0.991 -2.274) 3.877 2.727 ( 1.117 1.732 0.788) 2.206 2.738 ( -4.905 2.267 -1.296) 5.557 2.772 ( -8.010 3.757 -2.875) 9.302 2.819 ( -5.135 2.459 -3.630) 6.752 2.889 ( -9.295 0.567 3.836) 10.072 2.971 ( -7.270 -0.777 -2.440) 7.707 3.344 ( 0.081 0.015 6.332) 6.333 3.400 ( 0.608 -0.362 1.062) 1.276 4.042 ( -4.877 1.433 0.371) 5.097 4.050 ( -3.925 1.809 -0.312) 4.333 4.162 ( 1.960 -1.442 0.430) 2.471 4.174 ( 2.314 -0.666 -0.489) 2.457 4.442 ( 3.390 -0.332 1.603) 3.764 4.468 ( 3.657 -0.593 0.553) 3.746 4.537 ( 5.611 -0.322 -0.689) 5.663 4.559 ( 1.589 -1.395 -1.367) 2.518 4.705 ( -0.151 -0.968 1.780) 2.032 4.764 ( 0.402 0.643 2.920) 3.017 4.794 ( -2.357 0.194 -3.133) 3.925 4.818 ( -3.511 0.060 -1.416) 3.786 4.843 ( -3.724 0.010 3.169) 4.890 4.952 ( -0.425 -0.575 -4.785) 4.838 5.263 ( 1.145 0.433 0.635) 1.379 5.293 ( -0.049 -0.396 -0.595) 0.716 5.312 ( 2.408 -4.072 9.008) 10.174 5.510 ( 0.041 -0.042 -1.155) 1.157 5.531 ( 0.593 -0.583 0.536) 0.989 5.577 ( 3.037 -2.884 -7.236) 8.361 5.878 ( 5.440 -0.086 3.131) 6.277 5.943 ( 5.132 0.337 -2.213) 5.599 ======================= Grid point 195 (75/86) ======================= q-point: (-0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -9.596 3.876 4.269) 11.195 1.117 ( -4.470 5.990 0.548) 7.494 1.258 ( -6.969 4.084 -1.636) 8.242 1.364 ( -5.399 2.184 -4.371) 7.282 1.442 ( -5.876 -2.541 0.460) 6.419 1.471 ( -5.220 -4.288 -1.804) 6.992 1.622 ( -1.175 -4.508 2.253) 5.175 1.685 ( -2.143 -1.977 -3.009) 4.190 1.830 ( -3.279 2.646 4.672) 6.292 1.874 ( 0.134 -1.237 0.735) 1.445 1.917 ( -0.892 -9.819 4.868) 10.995 1.993 ( -11.143 2.636 -0.292) 11.454 2.037 ( -13.657 -1.605 1.450) 13.827 2.106 ( -7.058 -3.034 -3.091) 8.281 2.179 ( -15.804 6.231 3.105) 17.269 2.276 ( -9.048 -2.482 -3.174) 9.905 2.335 ( -13.758 6.521 4.616) 15.909 2.486 ( -7.441 6.108 -1.611) 9.761 2.601 ( -1.362 0.657 -7.888) 8.031 2.624 ( -1.311 1.823 -4.588) 5.108 2.779 ( -0.423 -0.972 -1.291) 1.670 2.792 ( -1.628 -2.631 -1.356) 3.378 2.864 ( 3.336 -1.313 1.489) 3.882 2.931 ( 2.060 -3.866 -2.806) 5.202 3.349 ( 0.495 0.586 6.995) 7.037 3.413 ( 0.769 0.314 0.800) 1.153 3.909 ( -9.116 0.062 1.442) 9.230 3.940 ( -7.362 0.445 -1.106) 7.458 4.178 ( -1.738 -2.349 0.172) 2.927 4.190 ( -1.478 -1.285 -0.723) 2.088 4.468 ( -5.729 1.750 0.364) 6.001 4.478 ( -7.875 0.879 -0.421) 7.935 4.553 ( -2.727 1.935 1.885) 3.839 4.558 ( 2.936 1.841 1.318) 3.708 4.664 ( 0.100 -3.466 -1.236) 3.682 4.682 ( 1.920 0.433 -2.228) 2.973 4.771 ( 2.647 0.093 3.412) 4.320 4.883 ( 5.480 -1.525 6.912) 8.951 4.913 ( 2.804 2.004 -6.776) 7.602 5.026 ( 7.344 -1.359 -4.622) 8.783 5.254 ( -1.609 0.784 0.290) 1.814 5.278 ( -1.410 -0.620 -1.504) 2.152 5.411 ( 4.297 -5.402 7.852) 10.455 5.511 ( 0.242 -0.121 0.895) 0.935 5.541 ( 0.251 -0.937 0.356) 1.034 5.670 ( 4.340 -3.576 -7.531) 9.399 5.993 ( 6.141 0.786 3.108) 6.928 6.042 ( 5.273 1.317 -0.968) 5.520 ======================= Grid point 196 (76/86) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -5.501 8.378 6.946) 12.195 1.006 ( -1.658 10.448 -1.072) 10.633 1.097 ( -5.210 9.146 -1.026) 10.576 1.237 ( -5.998 6.383 -5.359) 10.268 1.353 ( -3.767 -2.598 1.311) 4.760 1.409 ( -3.716 -2.120 -3.107) 5.288 1.531 ( -13.558 1.186 2.167) 13.781 1.604 ( -12.225 -0.495 -3.361) 12.688 1.678 ( -1.305 -4.099 3.255) 5.394 1.721 ( -1.909 -3.579 0.625) 4.104 1.789 ( -11.386 9.434 5.161) 15.662 1.832 ( -8.625 -2.024 2.737) 9.273 1.911 ( -1.108 -2.285 5.027) 5.632 1.971 ( -6.075 -7.784 -0.613) 9.893 2.066 ( 0.720 -1.403 0.772) 1.756 2.138 ( -3.005 -2.876 -1.434) 4.400 2.170 ( -3.922 -0.365 1.446) 4.196 2.310 ( -5.564 8.367 -7.419) 12.490 2.579 ( -0.206 1.216 -2.712) 2.980 2.625 ( 0.862 -0.608 -3.172) 3.343 2.771 ( -0.997 -3.710 -3.952) 5.511 2.794 ( 0.137 -3.246 -2.423) 4.053 2.947 ( 3.141 -2.734 3.217) 5.262 3.022 ( 3.374 -3.717 -2.673) 5.688 3.359 ( 1.308 1.543 6.846) 7.138 3.427 ( 0.904 1.045 0.110) 1.386 3.654 ( -15.222 -0.356 2.457) 15.423 3.717 ( -14.950 -1.852 -2.471) 15.266 4.130 ( -3.290 -1.086 0.451) 3.494 4.149 ( -2.249 -0.160 -0.986) 2.461 4.302 ( -5.269 0.099 0.689) 5.314 4.319 ( -5.654 -0.276 -0.775) 5.713 4.568 ( 2.108 3.711 4.423) 6.146 4.602 ( 1.923 1.916 1.950) 3.342 4.702 ( 1.082 0.490 -2.896) 3.130 4.731 ( 2.611 -0.571 -5.219) 5.863 4.821 ( 2.418 1.099 3.072) 4.061 4.935 ( 1.579 3.482 -4.936) 6.244 5.009 ( 4.847 -2.361 7.673) 9.378 5.151 ( 2.766 -0.554 -2.356) 3.675 5.203 ( -2.605 0.760 0.243) 2.724 5.263 ( 0.401 -0.579 -6.154) 6.194 5.487 ( 0.548 -1.997 1.960) 2.852 5.529 ( 0.513 -0.681 -0.896) 1.237 5.586 ( 3.408 -5.032 7.791) 9.881 5.779 ( 3.806 -4.810 -6.433) 8.889 6.097 ( 4.458 2.075 3.107) 5.817 6.135 ( 4.792 1.390 0.531) 5.018 ======================= Grid point 197 (77/86) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 10.322 9.509) 14.034 0.922 ( 0.000 18.474 6.194) 19.485 0.978 ( 0.000 7.437 -11.608) 13.786 1.086 ( 0.000 10.916 -7.277) 13.120 1.277 ( 0.000 10.637 7.709) 13.137 1.371 ( -0.000 -1.261 4.387) 4.565 1.389 ( 0.000 0.332 -1.057) 1.107 1.462 ( -0.000 -2.425 -3.439) 4.208 1.604 ( 0.000 0.813 6.606) 6.656 1.739 ( -0.000 -2.958 1.303) 3.232 1.747 ( -0.000 -4.937 1.228) 5.087 1.760 ( -0.000 -2.852 -0.467) 2.889 1.892 ( -0.000 -3.950 2.799) 4.841 1.948 ( -0.000 -9.397 -2.597) 9.750 2.106 ( -0.000 -1.628 1.968) 2.554 2.129 ( -0.000 -3.329 0.384) 3.351 2.140 ( -0.000 -1.563 -0.481) 1.635 2.197 ( 0.000 8.404 -9.135) 12.413 2.572 ( 0.000 1.974 1.198) 2.309 2.644 ( -0.000 -1.163 -4.143) 4.303 2.781 ( -0.000 -2.615 -2.579) 3.673 2.826 ( -0.000 -3.920 -3.739) 5.417 2.998 ( -0.000 -3.618 3.716) 5.187 3.083 ( -0.000 -5.028 -2.779) 5.745 3.389 ( 0.000 2.862 8.677) 9.137 3.433 ( 0.000 0.513 0.302) 0.595 3.440 ( 0.000 0.401 -0.318) 0.512 3.511 ( 0.000 1.427 -2.069) 2.513 4.093 ( -0.000 -0.039 1.175) 1.176 4.123 ( 0.000 0.137 -1.172) 1.180 4.256 ( -0.000 -0.643 0.591) 0.874 4.271 ( -0.000 -0.844 -0.572) 1.020 4.564 ( 0.000 5.170 4.604) 6.923 4.609 ( 0.000 2.837 1.959) 3.448 4.698 ( 0.000 3.946 -2.860) 4.874 4.763 ( -0.000 -0.230 -6.905) 6.908 4.847 ( -0.000 -1.139 2.548) 2.791 4.938 ( 0.000 1.837 -4.243) 4.624 5.075 ( -0.000 -1.874 8.111) 8.324 5.154 ( 0.000 0.223 0.751) 0.784 5.173 ( 0.000 0.211 -0.752) 0.781 5.281 ( 0.000 0.605 -8.698) 8.719 5.497 ( -0.000 -0.969 1.175) 1.523 5.535 ( -0.000 -0.364 -1.470) 1.515 5.667 ( -0.000 -7.635 8.713) 11.585 5.851 ( -0.000 -5.300 -5.485) 7.627 6.130 ( 0.000 2.155 4.366) 4.869 6.191 ( -0.000 -0.215 0.359) 0.419 ======================= Grid point 204 (78/86) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -8.400 0.000 1.997) 8.634 1.435 ( -9.353 0.000 -0.007) 9.353 1.483 ( -5.577 0.000 1.279) 5.722 1.564 ( -1.883 0.000 0.166) 1.891 1.599 ( 0.799 -0.000 1.103) 1.362 1.625 ( -4.995 0.000 0.324) 5.005 1.716 ( -6.789 0.000 -0.821) 6.838 1.750 ( 0.424 -0.000 -1.741) 1.792 1.776 ( 0.411 -0.000 0.667) 0.783 1.817 ( -0.790 0.000 -1.153) 1.397 1.971 ( -6.593 0.000 -0.490) 6.611 2.013 ( -4.649 0.000 -3.488) 5.811 2.240 ( 4.796 -0.000 7.088) 8.558 2.379 ( 1.760 -0.000 -3.126) 3.588 2.453 ( 1.879 -0.000 -0.753) 2.024 2.558 ( 0.679 -0.000 -6.324) 6.360 2.660 ( 0.831 -0.000 -0.786) 1.144 2.694 ( 2.135 -0.000 0.114) 2.138 2.719 ( -4.015 0.000 -0.831) 4.100 2.735 ( -6.180 0.000 -2.887) 6.821 2.896 ( -3.128 0.000 3.113) 4.413 2.980 ( -3.724 0.000 -2.284) 4.368 3.158 ( -10.548 0.000 3.609) 11.148 3.219 ( -11.394 0.000 -0.929) 11.431 3.351 ( -0.909 0.000 3.868) 3.973 3.380 ( 0.845 -0.000 1.019) 1.323 4.102 ( 1.704 -0.000 0.328) 1.736 4.112 ( 2.119 -0.000 -0.454) 2.168 4.140 ( -2.281 0.000 0.168) 2.287 4.140 ( -1.845 0.000 0.092) 1.848 4.373 ( 1.833 -0.000 4.263) 4.641 4.398 ( 0.848 -0.000 1.734) 1.931 4.452 ( 1.308 -0.000 -2.663) 2.967 4.491 ( 1.741 -0.000 -5.064) 5.355 4.690 ( 1.650 -0.000 2.021) 2.609 4.708 ( -1.307 0.000 -0.077) 1.310 4.829 ( -2.963 0.000 2.459) 3.851 4.908 ( -1.423 0.000 -3.059) 3.373 4.978 ( -4.586 0.000 0.363) 4.601 4.993 ( -3.164 0.000 -1.043) 3.331 5.218 ( 3.212 -0.000 1.467) 3.531 5.261 ( 3.173 -0.000 -2.386) 3.970 5.267 ( -0.826 0.000 9.558) 9.594 5.488 ( 3.086 -0.000 -1.401) 3.389 5.513 ( 0.547 -0.000 0.427) 0.694 5.515 ( -0.065 0.000 -6.114) 6.114 5.774 ( 4.745 -0.000 2.803) 5.511 5.843 ( 4.978 -0.000 -2.856) 5.739 ======================= Grid point 206 (79/86) ======================= q-point: (-0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -7.332 1.734 -0.742) 7.571 1.251 ( -6.525 -1.100 -1.501) 6.785 1.398 ( -3.702 0.333 3.474) 5.088 1.494 ( -5.720 0.423 -1.144) 5.848 1.502 ( -5.094 -0.670 -0.855) 5.208 1.556 ( -6.631 -1.484 -2.739) 7.327 1.651 ( -0.282 0.655 5.533) 5.579 1.694 ( -4.677 -2.801 1.411) 5.631 1.769 ( -3.829 -2.592 4.118) 6.192 1.817 ( 2.482 0.030 4.757) 5.365 1.907 ( 0.587 2.139 -5.794) 6.204 1.984 ( 0.815 -3.255 -6.699) 7.493 2.280 ( -2.668 2.227 3.325) 4.810 2.345 ( -5.696 -1.005 -0.502) 5.805 2.393 ( -11.008 -0.286 1.120) 11.068 2.499 ( -11.615 0.349 -4.380) 12.418 2.563 ( -1.001 0.510 -1.376) 1.776 2.618 ( -3.033 0.439 -2.595) 4.016 2.741 ( 2.784 0.861 -0.030) 2.914 2.750 ( 1.402 0.144 0.748) 1.596 2.802 ( -5.793 1.285 -1.876) 6.223 2.858 ( -8.632 3.131 -3.775) 9.928 2.894 ( -12.347 0.232 2.711) 12.643 2.955 ( -12.061 -1.458 -2.038) 12.319 3.344 ( 0.130 -0.003 6.170) 6.171 3.397 ( 0.781 -0.169 1.137) 1.390 4.057 ( -5.178 0.853 0.570) 5.278 4.071 ( -3.920 1.426 -0.614) 4.216 4.144 ( 1.166 -1.258 0.781) 1.885 4.165 ( 1.695 -0.628 -0.836) 1.991 4.436 ( 3.127 -0.447 1.551) 3.519 4.465 ( 5.180 -0.141 0.568) 5.213 4.533 ( 7.040 -0.304 -1.155) 7.140 4.547 ( 2.489 -0.513 -1.010) 2.735 4.698 ( 0.004 -0.364 1.787) 1.823 4.770 ( 1.487 0.266 3.009) 3.367 4.794 ( 0.252 -0.023 -3.952) 3.960 4.820 ( -8.499 0.220 0.056) 8.502 4.844 ( -4.987 0.040 2.817) 5.727 4.947 ( 0.603 -0.250 -4.728) 4.773 5.266 ( 0.634 -0.107 1.314) 1.463 5.276 ( 2.251 -1.073 9.820) 10.131 5.296 ( 0.490 -0.145 -1.593) 1.673 5.513 ( 0.125 0.567 -2.638) 2.701 5.523 ( 0.127 -0.847 -0.228) 0.886 5.554 ( 3.405 -0.989 -5.614) 6.640 5.878 ( 5.646 -0.044 3.304) 6.541 5.946 ( 5.391 0.121 -2.359) 5.886 ======================= Grid point 207 (80/86) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -7.673 3.405 2.631) 8.797 1.167 ( -3.245 2.617 -6.067) 7.362 1.313 ( -3.172 5.145 1.827) 6.315 1.382 ( -5.091 0.990 -2.212) 5.639 1.417 ( -4.148 -2.347 0.472) 4.789 1.436 ( -6.357 -1.038 -0.710) 6.480 1.574 ( -2.446 -3.588 3.537) 5.600 1.664 ( -2.191 -1.431 -3.497) 4.367 1.796 ( 0.845 -8.942 8.485) 12.356 1.858 ( 0.485 0.078 5.102) 5.126 1.886 ( -4.278 3.973 -2.222) 6.247 1.998 ( -10.552 -1.801 -2.863) 11.081 2.029 ( -13.500 0.175 1.103) 13.546 2.071 ( -10.543 -2.635 -2.619) 11.178 2.222 ( -11.358 1.563 1.575) 11.573 2.252 ( -11.949 -1.265 -1.094) 12.065 2.433 ( -12.181 9.178 4.791) 15.987 2.545 ( -4.773 3.268 2.410) 6.266 2.607 ( -5.308 0.809 -6.727) 8.607 2.650 ( -2.459 2.969 -6.060) 7.182 2.749 ( -4.171 -4.248 -2.054) 6.297 2.760 ( -2.570 -3.151 -5.642) 6.955 2.849 ( 2.936 -1.047 2.105) 3.761 2.905 ( 4.193 -0.886 -1.947) 4.707 3.353 ( 0.805 0.258 6.789) 6.842 3.415 ( 0.964 -0.010 0.832) 1.274 3.910 ( -9.964 0.179 1.730) 10.115 3.947 ( -8.784 0.643 -1.257) 8.897 4.153 ( -1.276 -1.791 0.743) 2.322 4.176 ( -1.000 -0.954 -1.064) 1.744 4.483 ( -6.709 0.843 -0.055) 6.762 4.486 ( -6.202 0.518 -0.268) 6.229 4.562 ( -3.309 0.157 1.925) 3.831 4.581 ( 1.158 1.846 1.683) 2.754 4.628 ( -0.303 -2.649 -0.813) 2.788 4.690 ( 4.727 0.788 -3.644) 6.020 4.778 ( 4.595 0.839 4.931) 6.792 4.866 ( 3.927 -1.361 6.615) 7.812 4.939 ( 5.357 2.436 -6.616) 8.854 5.005 ( 5.983 -2.226 -4.402) 7.754 5.257 ( -1.564 -0.528 0.856) 1.859 5.273 ( -1.880 0.207 -0.738) 2.030 5.367 ( 4.806 -2.481 7.504) 9.250 5.512 ( 0.187 0.379 0.519) 0.670 5.530 ( 0.157 -0.944 -0.568) 1.113 5.639 ( 4.185 -1.920 -7.703) 8.974 5.999 ( 6.543 0.360 3.357) 7.362 6.054 ( 5.670 0.756 -1.321) 5.871 ======================= Grid point 208 (81/86) ======================= q-point: (-0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -4.358 6.319 4.908) 9.111 1.087 ( -2.347 4.182 -9.346) 10.505 1.225 ( -1.189 12.197 3.927) 12.868 1.292 ( -2.999 2.878 -1.206) 4.329 1.329 ( -3.733 -0.998 0.755) 3.937 1.381 ( -1.860 -2.385 -3.237) 4.430 1.537 ( -15.269 0.560 1.235) 15.329 1.580 ( -6.952 -3.013 -1.973) 7.830 1.637 ( -6.234 -2.833 0.989) 6.919 1.665 ( -4.507 -5.080 -1.743) 7.011 1.790 ( -8.176 -4.707 4.649) 10.517 1.876 ( -7.036 -7.202 -1.377) 10.162 1.905 ( -1.089 0.617 6.292) 6.415 1.929 ( -9.219 9.947 2.699) 13.827 2.063 ( -0.391 0.808 1.690) 1.913 2.104 ( -2.203 -2.449 -0.682) 3.364 2.190 ( -6.216 4.287 5.976) 9.629 2.405 ( -4.577 7.600 -5.737) 10.565 2.564 ( -1.642 -5.069 -3.750) 6.516 2.621 ( -0.380 0.662 -0.898) 1.179 2.718 ( -1.475 -4.566 -7.542) 8.938 2.753 ( -0.323 -3.751 -5.839) 6.948 2.927 ( 3.447 -0.784 3.746) 5.151 3.001 ( 4.132 -0.677 -2.321) 4.787 3.372 ( 1.496 0.850 6.610) 6.830 3.434 ( 0.925 0.242 0.295) 1.001 3.651 ( -14.656 -0.230 2.467) 14.864 3.700 ( -14.724 -1.137 -1.280) 14.823 4.121 ( -2.122 -0.442 0.946) 2.365 4.148 ( -1.625 0.042 -1.174) 2.005 4.301 ( -6.214 -0.175 0.583) 6.243 4.315 ( -6.367 -0.466 -0.532) 6.407 4.596 ( 2.239 0.688 2.871) 3.706 4.620 ( 2.004 1.760 3.054) 4.055 4.674 ( 1.558 -3.026 -2.041) 3.969 4.753 ( 2.650 2.567 -6.039) 7.077 4.849 ( 3.223 3.582 4.788) 6.793 4.977 ( 4.541 -1.806 4.580) 6.697 4.983 ( 2.426 3.149 -0.733) 4.042 5.141 ( 3.839 -1.269 -4.141) 5.788 5.209 ( -2.849 0.346 -0.080) 2.871 5.243 ( -0.723 -2.583 -4.472) 5.215 5.462 ( 2.207 -2.030 3.668) 4.737 5.523 ( 0.760 -0.194 -0.174) 0.804 5.548 ( 1.602 -1.951 4.327) 5.010 5.733 ( 3.424 -3.252 -7.422) 8.797 6.116 ( 5.003 1.296 2.986) 5.968 6.152 ( 4.404 1.391 0.161) 4.622 ======================= Grid point 209 (82/86) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 8.148 6.919) 10.689 1.044 ( 0.000 4.280 -10.764) 11.583 1.120 ( 0.000 16.174 3.184) 16.485 1.201 ( 0.000 9.013 -3.462) 9.655 1.305 ( -0.000 -1.816 2.122) 2.793 1.359 ( -0.000 -0.402 3.271) 3.296 1.399 ( -0.000 -1.782 -5.498) 5.780 1.437 ( -0.000 -1.751 -3.122) 3.580 1.630 ( -0.000 -1.720 7.269) 7.470 1.700 ( -0.000 -3.897 0.626) 3.947 1.714 ( -0.000 -5.509 -0.399) 5.523 1.741 ( 0.000 7.691 3.519) 8.458 1.815 ( -0.000 -7.057 3.481) 7.869 1.902 ( 0.000 0.360 1.899) 1.932 2.088 ( -0.000 -0.925 6.320) 6.387 2.098 ( -0.000 -2.035 1.108) 2.317 2.124 ( -0.000 -1.247 -0.962) 1.575 2.306 ( 0.000 9.686 -9.705) 13.711 2.576 ( -0.000 -2.514 -4.047) 4.764 2.623 ( -0.000 -2.124 1.835) 2.807 2.732 ( -0.000 -5.071 -7.887) 9.376 2.775 ( -0.000 -4.315 -4.173) 6.002 2.971 ( -0.000 -1.160 4.121) 4.281 3.052 ( -0.000 -0.956 -2.425) 2.607 3.414 ( 0.000 1.496 8.610) 8.740 3.438 ( 0.000 0.409 0.251) 0.479 3.445 ( 0.000 0.328 -0.282) 0.433 3.519 ( 0.000 0.176 -0.784) 0.804 4.095 ( 0.000 0.327 1.254) 1.296 4.127 ( 0.000 0.480 -1.243) 1.332 4.247 ( -0.000 -0.927 0.510) 1.058 4.260 ( -0.000 -1.083 -0.487) 1.188 4.612 ( 0.000 2.420 4.025) 4.696 4.629 ( 0.000 1.617 2.634) 3.091 4.707 ( -0.000 -2.575 -2.385) 3.510 4.766 ( 0.000 2.303 -6.384) 6.786 4.862 ( 0.000 3.294 3.737) 4.981 4.979 ( 0.000 4.773 -3.773) 6.085 5.050 ( -0.000 -2.652 8.209) 8.626 5.157 ( 0.000 0.192 0.746) 0.770 5.176 ( 0.000 0.180 -0.746) 0.768 5.270 ( -0.000 -2.747 -9.991) 10.362 5.484 ( -0.000 -1.135 1.866) 2.184 5.531 ( -0.000 -0.311 -1.565) 1.595 5.597 ( -0.000 -4.540 7.896) 9.108 5.793 ( -0.000 -4.587 -6.597) 8.035 6.157 ( 0.000 2.326 3.083) 3.862 6.196 ( 0.000 0.846 0.702) 1.099 ======================= Grid point 218 (83/86) ======================= q-point: (-0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -7.234 0.000 1.960) 7.495 1.180 ( -2.826 0.000 -7.776) 8.273 1.348 ( -1.899 0.000 1.261) 2.279 1.388 ( -5.586 0.000 -1.534) 5.793 1.399 ( -3.719 0.000 1.128) 3.886 1.437 ( -4.573 0.000 -1.878) 4.943 1.551 ( -4.439 0.000 5.129) 6.783 1.655 ( -1.668 0.000 -3.234) 3.639 1.738 ( 1.034 -0.000 10.898) 10.947 1.856 ( 0.716 -0.000 4.621) 4.676 1.927 ( -3.027 0.000 -4.430) 5.365 1.972 ( -11.001 0.000 -3.205) 11.458 2.033 ( -9.913 0.000 0.165) 9.915 2.055 ( -16.393 0.000 -1.369) 16.450 2.227 ( -8.792 0.000 1.506) 8.920 2.248 ( -13.800 0.000 0.457) 13.808 2.500 ( -7.538 0.000 2.850) 8.059 2.554 ( -4.812 0.000 1.695) 5.101 2.616 ( -10.646 0.000 0.041) 10.646 2.686 ( -3.605 0.000 -3.668) 5.143 2.704 ( -4.404 0.000 -6.549) 7.892 2.734 ( -2.845 0.000 -9.327) 9.751 2.844 ( 3.449 -0.000 2.909) 4.512 2.901 ( 4.856 -0.000 -1.750) 5.162 3.355 ( 0.896 -0.000 6.680) 6.740 3.414 ( 1.020 -0.000 0.847) 1.326 3.912 ( -10.355 0.000 1.869) 10.522 3.952 ( -9.570 0.000 -1.374) 9.669 4.143 ( -0.779 0.000 1.015) 1.279 4.171 ( -0.669 0.000 -1.216) 1.388 4.487 ( -8.644 0.000 -0.084) 8.644 4.489 ( -4.082 0.000 -0.320) 4.095 4.562 ( -3.479 0.000 1.762) 3.900 4.597 ( 0.249 -0.000 3.430) 3.439 4.607 ( -0.125 0.000 -2.219) 2.222 4.695 ( 5.687 -0.000 -4.101) 7.011 4.784 ( 5.792 -0.000 5.591) 8.050 4.857 ( 2.947 -0.000 6.370) 7.019 4.960 ( 9.154 -0.000 -7.991) 12.151 4.985 ( 2.540 -0.000 -2.793) 3.775 5.252 ( -1.630 0.000 2.022) 2.597 5.276 ( -2.115 0.000 -1.235) 2.449 5.353 ( 5.039 -0.000 7.078) 8.689 5.518 ( 0.027 -0.000 2.565) 2.565 5.521 ( 0.324 -0.000 -3.137) 3.154 5.628 ( 4.128 -0.000 -7.655) 8.697 6.001 ( 6.684 -0.000 3.469) 7.530 6.059 ( 5.828 -0.000 -1.450) 6.006 ======================= Grid point 220 (84/86) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -4.025 2.491 3.533) 5.907 1.115 ( -2.895 1.126 -9.047) 9.566 1.292 ( -3.205 -0.148 -0.059) 3.208 1.309 ( -1.485 0.352 -0.961) 1.804 1.365 ( -0.048 -0.104 0.429) 0.444 1.375 ( -1.031 7.448 -0.177) 7.521 1.528 ( -4.755 -2.525 2.466) 5.921 1.556 ( -13.556 -0.697 0.072) 13.574 1.606 ( -15.271 -2.135 -1.890) 15.535 1.636 ( -1.553 -0.348 -3.184) 3.560 1.737 ( -5.512 -3.224 6.483) 9.099 1.810 ( -11.161 -3.434 0.083) 11.678 1.913 ( -0.441 0.540 6.580) 6.616 1.990 ( -4.284 1.335 -0.924) 4.581 2.078 ( -1.146 1.094 0.706) 1.735 2.088 ( -2.008 -0.458 0.026) 2.060 2.275 ( -9.270 9.160 7.007) 14.796 2.460 ( -4.484 -2.080 4.412) 6.625 2.478 ( -4.547 -4.227 -1.800) 6.463 2.642 ( -0.676 2.765 -6.122) 6.751 2.681 ( -0.257 -2.478 -8.019) 8.397 2.716 ( -0.155 -2.251 -11.864) 12.076 2.924 ( 3.789 -0.015 4.013) 5.519 2.998 ( 4.257 -0.059 -2.170) 4.779 3.379 ( 1.589 0.267 6.436) 6.634 3.435 ( 0.908 -0.026 0.500) 1.037 3.649 ( -14.398 -0.084 2.482) 14.611 3.692 ( -14.621 -0.386 -0.706) 14.643 4.119 ( -1.444 -0.106 1.139) 1.842 4.149 ( -1.209 0.043 -1.271) 1.755 4.299 ( -6.765 -0.100 0.488) 6.784 4.311 ( -6.791 -0.216 -0.422) 6.808 4.594 ( 1.555 -0.298 1.504) 2.184 4.638 ( 2.415 1.097 3.190) 4.149 4.649 ( 1.734 -1.377 -0.751) 2.339 4.775 ( 2.803 1.097 -6.177) 6.871 4.894 ( 4.202 4.019 5.986) 8.346 4.940 ( 4.288 -3.643 7.011) 8.990 5.029 ( 2.802 3.298 -1.821) 4.695 5.120 ( 5.361 -2.132 -8.033) 9.890 5.206 ( -2.885 -0.785 0.604) 3.051 5.223 ( -2.746 -0.536 -1.628) 3.237 5.446 ( 3.097 -0.640 3.642) 4.824 5.525 ( 0.604 0.408 -0.272) 0.778 5.533 ( 1.026 -0.936 2.856) 3.176 5.708 ( 3.231 -1.108 -7.922) 8.627 6.126 ( 5.301 0.425 3.159) 6.186 6.164 ( 4.367 0.579 -0.168) 4.408 ======================= Grid point 221 (85/86) ======================= q-point: (-0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 4.767 4.699) 6.694 1.078 ( 0.000 1.835 -8.968) 9.154 1.266 ( 0.000 7.772 0.364) 7.781 1.277 ( 0.000 3.911 -0.455) 3.938 1.277 ( -0.000 -2.440 0.724) 2.545 1.366 ( -0.000 -2.993 -5.974) 6.682 1.381 ( 0.000 5.682 2.427) 6.179 1.432 ( 0.000 1.062 -1.534) 1.866 1.603 ( -0.000 -0.940 5.178) 5.263 1.632 ( -0.000 -8.380 0.580) 8.400 1.659 ( -0.000 -3.547 -1.558) 3.874 1.694 ( -0.000 -7.777 -0.948) 7.834 1.899 ( 0.000 7.402 5.102) 8.989 1.916 ( 0.000 3.451 2.444) 4.229 2.083 ( -0.000 -0.626 1.330) 1.469 2.105 ( 0.000 5.397 11.205) 12.437 2.113 ( -0.000 -0.730 -1.010) 1.247 2.397 ( 0.000 5.544 -5.001) 7.467 2.488 ( -0.000 -11.229 2.420) 11.486 2.623 ( 0.000 1.826 -2.792) 3.336 2.693 ( -0.000 -2.121 -10.477) 10.690 2.732 ( -0.000 -3.213 -9.264) 9.806 2.967 ( 0.000 0.203 4.266) 4.271 3.048 ( -0.000 -0.088 -2.420) 2.421 3.425 ( 0.000 0.519 8.716) 8.731 3.441 ( 0.000 0.219 0.220) 0.310 3.448 ( 0.000 0.181 -0.260) 0.317 3.518 ( -0.000 -0.269 0.101) 0.287 4.100 ( 0.000 0.394 1.308) 1.366 4.133 ( 0.000 0.506 -1.313) 1.407 4.237 ( -0.000 -0.768 0.473) 0.901 4.249 ( -0.000 -0.825 -0.428) 0.929 4.613 ( -0.000 -0.824 1.999) 2.162 4.655 ( 0.000 1.807 3.113) 3.599 4.676 ( -0.000 -2.000 -0.738) 2.132 4.794 ( 0.000 2.067 -6.165) 6.503 4.910 ( 0.000 4.773 5.273) 7.112 5.011 ( -0.000 -3.457 7.870) 8.595 5.039 ( 0.000 5.017 -2.639) 5.669 5.159 ( 0.000 0.110 0.742) 0.750 5.177 ( 0.000 0.103 -0.742) 0.749 5.221 ( -0.000 -5.352 -9.873) 11.231 5.474 ( -0.000 -0.543 1.941) 2.016 5.529 ( -0.000 -0.043 -1.892) 1.893 5.562 ( -0.000 -1.821 6.348) 6.604 5.753 ( -0.000 -2.416 -7.462) 7.843 6.178 ( 0.000 1.239 2.853) 3.110 6.206 ( 0.000 0.879 0.579) 1.052 ======================= Grid point 233 (86/86) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 0.000 3.771) 3.771 1.088 ( 0.000 0.000 -7.793) 7.793 1.262 ( 0.000 0.000 -0.380) 0.380 1.292 ( 0.000 0.000 0.340) 0.340 1.302 ( -0.000 -0.000 -0.433) 0.433 1.346 ( 0.000 0.000 -5.750) 5.750 1.434 ( -0.000 -0.000 1.343) 1.343 1.465 ( -0.000 -0.000 -1.189) 1.189 1.553 ( 0.000 0.000 3.135) 3.135 1.612 ( -0.000 -0.000 3.015) 3.015 1.634 ( 0.000 0.000 2.363) 2.363 1.635 ( 0.000 0.000 -3.438) 3.438 1.916 ( 0.000 0.000 5.309) 5.309 1.954 ( -0.000 -0.000 -0.444) 0.444 2.081 ( 0.000 0.000 1.300) 1.300 2.108 ( 0.000 0.000 -0.937) 0.937 2.173 ( 0.000 0.000 9.685) 9.685 2.388 ( 0.000 0.000 11.054) 11.054 2.433 ( 0.000 0.000 -4.638) 4.638 2.645 ( -0.000 -0.000 -7.296) 7.296 2.675 ( 0.000 0.000 -7.134) 7.134 2.711 ( 0.000 0.000 -14.402) 14.402 2.969 ( 0.000 0.000 4.163) 4.163 3.048 ( 0.000 0.000 -2.348) 2.348 3.427 ( 0.000 0.000 8.768) 8.768 3.443 ( 0.000 0.000 0.210) 0.210 3.449 ( 0.000 0.000 -0.253) 0.253 3.516 ( 0.000 0.000 0.427) 0.427 4.102 ( 0.000 0.000 1.329) 1.329 4.136 ( 0.000 0.000 -1.350) 1.350 4.232 ( 0.000 0.000 0.472) 0.472 4.243 ( 0.000 0.000 -0.410) 0.410 4.607 ( 0.000 0.000 1.736) 1.736 4.659 ( 0.000 0.000 -2.435) 2.435 4.671 ( 0.000 0.000 5.156) 5.156 4.807 ( 0.000 0.000 -5.935) 5.935 4.960 ( -0.000 -0.000 7.071) 7.071 4.968 ( 0.000 0.000 6.158) 6.158 5.081 ( 0.000 0.000 -0.633) 0.633 5.159 ( 0.000 0.000 0.740) 0.740 5.177 ( 0.000 0.000 -10.912) 10.912 5.178 ( 0.000 0.000 -0.740) 0.740 5.472 ( 0.000 0.000 1.692) 1.692 5.529 ( 0.000 0.000 -2.299) 2.299 5.552 ( 0.000 0.000 6.000) 6.000 5.739 ( 0.000 0.000 -7.764) 7.764 6.185 ( 0.000 0.000 2.937) 2.937 6.212 ( 0.000 0.000 0.408) 0.408 =================== 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 3/20736 10.0 182.377 303.099 97.369 0.000 0.000 0.000 3/20736 20.0 49.642 42.755 21.921 0.000 0.000 0.000 3/20736 30.0 25.746 18.165 10.321 0.000 0.000 0.000 3/20736 40.0 17.043 11.105 6.600 0.000 0.000 0.000 3/20736 50.0 12.612 7.917 4.833 0.000 0.000 0.000 3/20736 60.0 9.990 6.141 3.818 0.000 0.000 0.000 3/20736 70.0 8.281 5.021 3.166 0.000 0.000 0.000 3/20736 80.0 7.085 4.255 2.712 0.000 0.000 0.000 3/20736 90.0 6.202 3.697 2.378 0.000 0.000 0.000 3/20736 100.0 5.522 3.274 2.121 0.000 0.000 0.000 3/20736 110.0 4.982 2.940 1.917 0.000 0.000 0.000 3/20736 120.0 4.542 2.671 1.750 0.000 0.000 0.000 3/20736 130.0 4.176 2.448 1.611 0.000 0.000 0.000 3/20736 140.0 3.866 2.261 1.494 0.000 0.000 0.000 3/20736 150.0 3.600 2.101 1.393 0.000 0.000 0.000 3/20736 160.0 3.370 1.963 1.305 0.000 0.000 0.000 3/20736 170.0 3.168 1.843 1.228 0.000 0.000 0.000 3/20736 180.0 2.989 1.736 1.159 0.000 0.000 0.000 3/20736 190.0 2.830 1.642 1.098 0.000 0.000 0.000 3/20736 200.0 2.687 1.557 1.044 0.000 0.000 0.000 3/20736 210.0 2.558 1.481 0.994 0.000 0.000 0.000 3/20736 220.0 2.441 1.413 0.949 0.000 0.000 0.000 3/20736 230.0 2.335 1.350 0.908 0.000 0.000 0.000 3/20736 240.0 2.237 1.293 0.871 0.000 0.000 0.000 3/20736 250.0 2.148 1.240 0.836 0.000 0.000 0.000 3/20736 260.0 2.065 1.192 0.804 0.000 0.000 0.000 3/20736 270.0 1.989 1.147 0.775 0.000 0.000 0.000 3/20736 280.0 1.918 1.106 0.748 0.000 0.000 0.000 3/20736 290.0 1.852 1.067 0.722 0.000 0.000 0.000 3/20736 300.0 1.790 1.031 0.698 0.000 0.000 0.000 3/20736 310.0 1.733 0.998 0.676 0.000 0.000 0.000 3/20736 320.0 1.679 0.967 0.655 0.000 0.000 0.000 3/20736 330.0 1.628 0.937 0.636 0.000 0.000 0.000 3/20736 340.0 1.580 0.909 0.617 0.000 0.000 0.000 3/20736 350.0 1.535 0.883 0.600 0.000 0.000 0.000 3/20736 360.0 1.493 0.859 0.583 0.000 0.000 0.000 3/20736 370.0 1.453 0.835 0.568 0.000 0.000 0.000 3/20736 380.0 1.415 0.813 0.553 0.000 0.000 0.000 3/20736 390.0 1.379 0.792 0.539 0.000 0.000 0.000 3/20736 400.0 1.344 0.773 0.525 0.000 0.000 0.000 3/20736 410.0 1.312 0.754 0.513 0.000 0.000 0.000 3/20736 420.0 1.281 0.736 0.501 0.000 0.000 0.000 3/20736 430.0 1.251 0.719 0.489 0.000 0.000 0.000 3/20736 440.0 1.223 0.702 0.478 0.000 0.000 0.000 3/20736 450.0 1.196 0.687 0.468 0.000 0.000 0.000 3/20736 460.0 1.170 0.672 0.458 0.000 0.000 0.000 3/20736 470.0 1.145 0.657 0.448 0.000 0.000 0.000 3/20736 480.0 1.122 0.644 0.439 0.000 0.000 0.000 3/20736 490.0 1.099 0.631 0.430 0.000 0.000 0.000 3/20736 500.0 1.077 0.618 0.421 0.000 0.000 0.000 3/20736 510.0 1.056 0.606 0.413 0.000 0.000 0.000 3/20736 520.0 1.036 0.594 0.405 0.000 0.000 0.000 3/20736 530.0 1.016 0.583 0.398 0.000 0.000 0.000 3/20736 540.0 0.998 0.572 0.391 0.000 0.000 0.000 3/20736 550.0 0.980 0.562 0.383 0.000 0.000 0.000 3/20736 560.0 0.962 0.552 0.377 0.000 0.000 0.000 3/20736 570.0 0.945 0.542 0.370 0.000 0.000 0.000 3/20736 580.0 0.929 0.533 0.364 0.000 0.000 0.000 3/20736 590.0 0.914 0.524 0.358 0.000 0.000 0.000 3/20736 600.0 0.898 0.515 0.352 0.000 0.000 0.000 3/20736 610.0 0.884 0.507 0.346 0.000 0.000 0.000 3/20736 620.0 0.870 0.499 0.341 0.000 0.000 0.000 3/20736 630.0 0.856 0.491 0.335 0.000 0.000 0.000 3/20736 640.0 0.843 0.483 0.330 0.000 0.000 0.000 3/20736 650.0 0.830 0.476 0.325 0.000 0.000 0.000 3/20736 660.0 0.817 0.468 0.320 0.000 0.000 0.000 3/20736 670.0 0.805 0.461 0.315 0.000 0.000 0.000 3/20736 680.0 0.793 0.455 0.311 0.000 0.000 0.000 3/20736 690.0 0.782 0.448 0.306 0.000 0.000 0.000 3/20736 700.0 0.771 0.442 0.302 0.000 0.000 0.000 3/20736 710.0 0.760 0.435 0.298 0.000 0.000 0.000 3/20736 720.0 0.749 0.429 0.294 0.000 0.000 0.000 3/20736 730.0 0.739 0.424 0.290 0.000 0.000 0.000 3/20736 740.0 0.729 0.418 0.286 0.000 0.000 0.000 3/20736 750.0 0.720 0.412 0.282 0.000 0.000 0.000 3/20736 760.0 0.710 0.407 0.278 0.000 0.000 0.000 3/20736 770.0 0.701 0.402 0.275 0.000 0.000 0.000 3/20736 780.0 0.692 0.396 0.271 0.000 0.000 0.000 3/20736 790.0 0.683 0.391 0.268 0.000 0.000 0.000 3/20736 800.0 0.675 0.387 0.265 0.000 0.000 0.000 3/20736 810.0 0.667 0.382 0.261 0.000 0.000 0.000 3/20736 820.0 0.659 0.377 0.258 0.000 0.000 0.000 3/20736 830.0 0.651 0.373 0.255 0.000 0.000 0.000 3/20736 840.0 0.643 0.368 0.252 0.000 0.000 0.000 3/20736 850.0 0.635 0.364 0.249 0.000 0.000 0.000 3/20736 860.0 0.628 0.360 0.246 0.000 0.000 0.000 3/20736 870.0 0.621 0.356 0.243 0.000 0.000 0.000 3/20736 880.0 0.614 0.352 0.241 0.000 0.000 0.000 3/20736 890.0 0.607 0.348 0.238 0.000 0.000 0.000 3/20736 900.0 0.600 0.344 0.235 0.000 0.000 0.000 3/20736 910.0 0.594 0.340 0.233 0.000 0.000 0.000 3/20736 920.0 0.587 0.336 0.230 0.000 0.000 0.000 3/20736 930.0 0.581 0.333 0.228 0.000 0.000 0.000 3/20736 940.0 0.575 0.329 0.225 0.000 0.000 0.000 3/20736 950.0 0.569 0.326 0.223 0.000 0.000 0.000 3/20736 960.0 0.563 0.322 0.221 0.000 0.000 0.000 3/20736 970.0 0.557 0.319 0.218 0.000 0.000 0.000 3/20736 980.0 0.552 0.316 0.216 0.000 0.000 0.000 3/20736 990.0 0.546 0.313 0.214 0.000 0.000 0.000 3/20736 1000.0 0.541 0.309 0.212 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12123.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:09:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|