----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:48:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.804854709999999 -5.709035165000000 0.000000000000000 b 3.804854709999999 5.709035165000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.490828950000000 Atomic positions (fractional): *1 F 0.68066162520455 0.93314538197282 0.24967427078378 18.998 2 F 0.81933837479545 0.56685461802718 0.24967427078378 18.998 3 F 0.93314538197282 0.68066162520455 0.75032572921622 18.998 4 F 0.56685461802718 0.81933837479545 0.75032572921622 18.998 *5 F 0.06766516795299 0.93233483204701 0.15419195473534 18.998 6 F 0.43233483204701 0.56766516795299 0.15419195473534 18.998 7 F 0.93233483204701 0.06766516795299 0.84580804526466 18.998 8 F 0.56766516795299 0.43233483204701 0.84580804526466 18.998 9 F 0.43314538197282 0.18066162520455 0.24967427078378 18.998 10 F 0.06685461802718 0.31933837479545 0.24967427078378 18.998 11 F 0.18066162520455 0.43314538197282 0.75032572921622 18.998 12 F 0.31933837479545 0.06685461802718 0.75032572921622 18.998 *13 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 14 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 *15 Ba 0.75000000000000 0.25000000000000 0.55962310123595 137.327 16 Ba 0.25000000000000 0.75000000000000 0.44037689876405 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.609709419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418070329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.490828950000000 Atomic positions (fractional): *1 F 0.80690350358869 0.12624187838413 0.24967427078378 18.998 > 1 2 F 0.69309649641131 0.87375812161587 0.24967427078378 18.998 > 2 3 F 0.80690350358869 0.87375812161587 0.75032572921622 18.998 > 3 4 F 0.69309649641131 0.12624187838413 0.75032572921622 18.998 > 4 *5 F 0.50000000000000 0.43233483204701 0.15419195473534 18.998 > 5 6 F 0.50000000000000 0.06766516795299 0.15419195473534 18.998 > 6 7 F 0.50000000000000 0.56766516795299 0.84580804526466 18.998 > 7 8 F 0.50000000000000 0.93233483204701 0.84580804526466 18.998 > 8 9 F 0.30690350358869 0.87375812161587 0.24967427078378 18.998 > 9 10 F 0.19309649641131 0.12624187838413 0.24967427078378 18.998 > 10 11 F 0.30690350358869 0.12624187838413 0.75032572921622 18.998 > 11 12 F 0.19309649641131 0.87375812161587 0.75032572921622 18.998 > 12 13 F 0.30690350358869 0.62624187838413 0.24967427078378 18.998 > 1 14 F 0.19309649641131 0.37375812161587 0.24967427078378 18.998 > 2 15 F 0.30690350358869 0.37375812161587 0.75032572921622 18.998 > 3 16 F 0.19309649641131 0.62624187838413 0.75032572921622 18.998 > 4 17 F 0.00000000000000 0.93233483204701 0.15419195473534 18.998 > 5 18 F 0.00000000000000 0.56766516795299 0.15419195473534 18.998 > 6 19 F 0.00000000000000 0.06766516795299 0.84580804526466 18.998 > 7 20 F 0.00000000000000 0.43233483204701 0.84580804526466 18.998 > 8 21 F 0.80690350358869 0.37375812161587 0.24967427078378 18.998 > 9 22 F 0.69309649641131 0.62624187838413 0.24967427078378 18.998 > 10 23 F 0.80690350358869 0.62624187838413 0.75032572921622 18.998 > 11 24 F 0.69309649641131 0.37375812161587 0.75032572921622 18.998 > 12 *25 Zr 0.25000000000000 0.00000000000000 0.00000000000000 91.224 > 13 26 Zr 0.75000000000000 0.00000000000000 0.00000000000000 91.224 > 14 27 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 13 28 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 14 *29 Ba 0.50000000000000 0.75000000000000 0.55962310123595 137.327 > 15 30 Ba 0.50000000000000 0.25000000000000 0.44037689876405 137.327 > 16 31 Ba 0.00000000000000 0.25000000000000 0.55962310123595 137.327 > 15 32 Ba 0.00000000000000 0.75000000000000 0.44037689876405 137.327 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.219418839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418070329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.981657900000000 Atomic positions (fractional): *1 F 0.40345175179434 0.12624187838413 0.12483713539189 18.998 > 1 2 F 0.90345175179434 0.12624187838413 0.12483713539189 18.998 > 1 3 F 0.40345175179434 0.12624187838413 0.62483713539189 18.998 > 1 4 F 0.90345175179434 0.12624187838413 0.62483713539189 18.998 > 1 5 F 0.34654824820566 0.87375812161587 0.12483713539189 18.998 > 2 6 F 0.84654824820566 0.87375812161587 0.12483713539189 18.998 > 2 7 F 0.34654824820566 0.87375812161587 0.62483713539189 18.998 > 2 8 F 0.84654824820566 0.87375812161587 0.62483713539189 18.998 > 2 9 F 0.40345175179434 0.87375812161587 0.37516286460811 18.998 > 3 10 F 0.90345175179434 0.87375812161587 0.37516286460811 18.998 > 3 11 F 0.40345175179434 0.87375812161587 0.87516286460811 18.998 > 3 12 F 0.90345175179434 0.87375812161587 0.87516286460811 18.998 > 3 13 F 0.34654824820566 0.12624187838413 0.37516286460811 18.998 > 4 14 F 0.84654824820566 0.12624187838413 0.37516286460811 18.998 > 4 15 F 0.34654824820566 0.12624187838413 0.87516286460811 18.998 > 4 16 F 0.84654824820566 0.12624187838413 0.87516286460811 18.998 > 4 *17 F 0.25000000000000 0.43233483204701 0.07709597736767 18.998 > 5 18 F 0.75000000000000 0.43233483204701 0.07709597736767 18.998 > 5 19 F 0.25000000000000 0.43233483204701 0.57709597736767 18.998 > 5 20 F 0.75000000000000 0.43233483204701 0.57709597736767 18.998 > 5 21 F 0.25000000000000 0.06766516795299 0.07709597736767 18.998 > 6 22 F 0.75000000000000 0.06766516795299 0.07709597736767 18.998 > 6 23 F 0.25000000000000 0.06766516795299 0.57709597736767 18.998 > 6 24 F 0.75000000000000 0.06766516795299 0.57709597736767 18.998 > 6 25 F 0.25000000000000 0.56766516795299 0.42290402263233 18.998 > 7 26 F 0.75000000000000 0.56766516795299 0.42290402263233 18.998 > 7 27 F 0.25000000000000 0.56766516795299 0.92290402263233 18.998 > 7 28 F 0.75000000000000 0.56766516795299 0.92290402263233 18.998 > 7 29 F 0.25000000000000 0.93233483204701 0.42290402263233 18.998 > 8 30 F 0.75000000000000 0.93233483204701 0.42290402263233 18.998 > 8 31 F 0.25000000000000 0.93233483204701 0.92290402263233 18.998 > 8 32 F 0.75000000000000 0.93233483204701 0.92290402263233 18.998 > 8 33 F 0.15345175179434 0.87375812161587 0.12483713539189 18.998 > 9 34 F 0.65345175179434 0.87375812161587 0.12483713539189 18.998 > 9 35 F 0.15345175179434 0.87375812161587 0.62483713539189 18.998 > 9 36 F 0.65345175179434 0.87375812161587 0.62483713539189 18.998 > 9 37 F 0.09654824820566 0.12624187838413 0.12483713539189 18.998 > 10 38 F 0.59654824820566 0.12624187838413 0.12483713539189 18.998 > 10 39 F 0.09654824820566 0.12624187838413 0.62483713539189 18.998 > 10 40 F 0.59654824820566 0.12624187838413 0.62483713539189 18.998 > 10 41 F 0.15345175179434 0.12624187838413 0.37516286460811 18.998 > 11 42 F 0.65345175179434 0.12624187838413 0.37516286460811 18.998 > 11 43 F 0.15345175179434 0.12624187838413 0.87516286460811 18.998 > 11 44 F 0.65345175179434 0.12624187838413 0.87516286460811 18.998 > 11 45 F 0.09654824820566 0.87375812161587 0.37516286460811 18.998 > 12 46 F 0.59654824820566 0.87375812161587 0.37516286460811 18.998 > 12 47 F 0.09654824820566 0.87375812161587 0.87516286460811 18.998 > 12 48 F 0.59654824820566 0.87375812161587 0.87516286460811 18.998 > 12 49 F 0.15345175179434 0.62624187838413 0.12483713539189 18.998 > 1 50 F 0.65345175179434 0.62624187838413 0.12483713539189 18.998 > 1 51 F 0.15345175179434 0.62624187838413 0.62483713539189 18.998 > 1 52 F 0.65345175179434 0.62624187838413 0.62483713539189 18.998 > 1 53 F 0.09654824820566 0.37375812161587 0.12483713539189 18.998 > 2 54 F 0.59654824820566 0.37375812161587 0.12483713539189 18.998 > 2 55 F 0.09654824820566 0.37375812161587 0.62483713539189 18.998 > 2 56 F 0.59654824820566 0.37375812161587 0.62483713539189 18.998 > 2 57 F 0.15345175179434 0.37375812161587 0.37516286460811 18.998 > 3 58 F 0.65345175179434 0.37375812161587 0.37516286460811 18.998 > 3 59 F 0.15345175179434 0.37375812161587 0.87516286460811 18.998 > 3 60 F 0.65345175179434 0.37375812161587 0.87516286460811 18.998 > 3 61 F 0.09654824820566 0.62624187838413 0.37516286460811 18.998 > 4 62 F 0.59654824820566 0.62624187838413 0.37516286460811 18.998 > 4 63 F 0.09654824820566 0.62624187838413 0.87516286460811 18.998 > 4 64 F 0.59654824820566 0.62624187838413 0.87516286460811 18.998 > 4 65 F 0.00000000000000 0.93233483204701 0.07709597736767 18.998 > 5 66 F 0.50000000000000 0.93233483204701 0.07709597736767 18.998 > 5 67 F 0.00000000000000 0.93233483204701 0.57709597736767 18.998 > 5 68 F 0.50000000000000 0.93233483204701 0.57709597736767 18.998 > 5 69 F 0.00000000000000 0.56766516795299 0.07709597736767 18.998 > 6 70 F 0.50000000000000 0.56766516795299 0.07709597736767 18.998 > 6 71 F 0.00000000000000 0.56766516795299 0.57709597736767 18.998 > 6 72 F 0.50000000000000 0.56766516795299 0.57709597736767 18.998 > 6 73 F 0.00000000000000 0.06766516795299 0.42290402263233 18.998 > 7 74 F 0.50000000000000 0.06766516795299 0.42290402263233 18.998 > 7 75 F 0.00000000000000 0.06766516795299 0.92290402263233 18.998 > 7 76 F 0.50000000000000 0.06766516795299 0.92290402263233 18.998 > 7 77 F 0.00000000000000 0.43233483204701 0.42290402263233 18.998 > 8 78 F 0.50000000000000 0.43233483204701 0.42290402263233 18.998 > 8 79 F 0.00000000000000 0.43233483204701 0.92290402263233 18.998 > 8 80 F 0.50000000000000 0.43233483204701 0.92290402263233 18.998 > 8 81 F 0.40345175179434 0.37375812161587 0.12483713539189 18.998 > 9 82 F 0.90345175179434 0.37375812161587 0.12483713539189 18.998 > 9 83 F 0.40345175179434 0.37375812161587 0.62483713539189 18.998 > 9 84 F 0.90345175179434 0.37375812161587 0.62483713539189 18.998 > 9 85 F 0.34654824820566 0.62624187838413 0.12483713539189 18.998 > 10 86 F 0.84654824820566 0.62624187838413 0.12483713539189 18.998 > 10 87 F 0.34654824820566 0.62624187838413 0.62483713539189 18.998 > 10 88 F 0.84654824820566 0.62624187838413 0.62483713539189 18.998 > 10 89 F 0.40345175179434 0.62624187838413 0.37516286460811 18.998 > 11 90 F 0.90345175179434 0.62624187838413 0.37516286460811 18.998 > 11 91 F 0.40345175179434 0.62624187838413 0.87516286460811 18.998 > 11 92 F 0.90345175179434 0.62624187838413 0.87516286460811 18.998 > 11 93 F 0.34654824820566 0.37375812161587 0.37516286460811 18.998 > 12 94 F 0.84654824820566 0.37375812161587 0.37516286460811 18.998 > 12 95 F 0.34654824820566 0.37375812161587 0.87516286460811 18.998 > 12 96 F 0.84654824820566 0.37375812161587 0.87516286460811 18.998 > 12 *97 Zr 0.12500000000000 0.00000000000000 0.00000000000000 91.224 > 13 98 Zr 0.62500000000000 0.00000000000000 0.00000000000000 91.224 > 13 99 Zr 0.12500000000000 0.00000000000000 0.50000000000000 91.224 > 13 100 Zr 0.62500000000000 0.00000000000000 0.50000000000000 91.224 > 13 101 Zr 0.37500000000000 0.00000000000000 0.00000000000000 91.224 > 14 102 Zr 0.87500000000000 0.00000000000000 0.00000000000000 91.224 > 14 103 Zr 0.37500000000000 0.00000000000000 0.50000000000000 91.224 > 14 104 Zr 0.87500000000000 0.00000000000000 0.50000000000000 91.224 > 14 105 Zr 0.37500000000000 0.50000000000000 0.00000000000000 91.224 > 13 106 Zr 0.87500000000000 0.50000000000000 0.00000000000000 91.224 > 13 107 Zr 0.37500000000000 0.50000000000000 0.50000000000000 91.224 > 13 108 Zr 0.87500000000000 0.50000000000000 0.50000000000000 91.224 > 13 109 Zr 0.12500000000000 0.50000000000000 0.00000000000000 91.224 > 14 110 Zr 0.62500000000000 0.50000000000000 0.00000000000000 91.224 > 14 111 Zr 0.12500000000000 0.50000000000000 0.50000000000000 91.224 > 14 112 Zr 0.62500000000000 0.50000000000000 0.50000000000000 91.224 > 14 *113 Ba 0.25000000000000 0.75000000000000 0.27981155061798 137.327 > 15 114 Ba 0.75000000000000 0.75000000000000 0.27981155061798 137.327 > 15 115 Ba 0.25000000000000 0.75000000000000 0.77981155061798 137.327 > 15 116 Ba 0.75000000000000 0.75000000000000 0.77981155061798 137.327 > 15 117 Ba 0.25000000000000 0.25000000000000 0.22018844938203 137.327 > 16 118 Ba 0.75000000000000 0.25000000000000 0.22018844938203 137.327 > 16 119 Ba 0.25000000000000 0.25000000000000 0.72018844938202 137.327 > 16 120 Ba 0.75000000000000 0.25000000000000 0.72018844938202 137.327 > 16 121 Ba 0.00000000000000 0.25000000000000 0.27981155061798 137.327 > 15 122 Ba 0.50000000000000 0.25000000000000 0.27981155061798 137.327 > 15 123 Ba 0.00000000000000 0.25000000000000 0.77981155061798 137.327 > 15 124 Ba 0.50000000000000 0.25000000000000 0.77981155061798 137.327 > 15 125 Ba 0.00000000000000 0.75000000000000 0.22018844938203 137.327 > 16 126 Ba 0.50000000000000 0.75000000000000 0.22018844938203 137.327 > 16 127 Ba 0.00000000000000 0.75000000000000 0.72018844938202 137.327 > 16 128 Ba 0.50000000000000 0.75000000000000 0.72018844938202 137.327 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6049483 0.0000000 0.0000000 0.0000000 2.6038461 0.0000000 0.0000000 0.0000000 2.5485437 -------------------------- Born effective charges -------------------------- 1 F -0.9724487 -0.1597487 -0.2078125 -0.2097472 -1.4330202 -0.7739955 -0.2239481 -0.7686605 -1.3975360 2 F -0.9724487 -0.1597487 0.2078125 -0.2097472 -1.4330202 0.7739955 0.2239481 0.7686605 -1.3975360 3 F -0.9724487 0.1597487 0.2078125 0.2097472 -1.4330202 -0.7739955 0.2239481 -0.7686605 -1.3975360 4 F -0.9724487 0.1597487 -0.2078125 0.2097472 -1.4330202 0.7739955 -0.2239481 0.7686605 -1.3975360 5 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 0.3825363 0.0000000 0.3997264 -0.9128104 6 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 -0.3825363 0.0000000 -0.3997264 -0.9128104 7 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 0.3825363 0.0000000 0.3997264 -0.9128104 8 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 -0.3825363 0.0000000 -0.3997264 -0.9128104 9 F -0.9724487 0.1597487 -0.2078125 0.2097472 -1.4330202 0.7739955 -0.2239481 0.7686605 -1.3975360 10 F -0.9724487 0.1597487 0.2078125 0.2097472 -1.4330202 -0.7739955 0.2239481 -0.7686605 -1.3975360 11 F -0.9724487 -0.1597487 0.2078125 -0.2097472 -1.4330202 0.7739955 0.2239481 0.7686605 -1.3975360 12 F -0.9724487 -0.1597487 -0.2078125 -0.2097472 -1.4330202 -0.7739955 -0.2239481 -0.7686605 -1.3975360 13 Zr 4.9536914 0.0000000 0.0000000 0.0000000 4.6502002 0.0000000 0.0000000 0.0000000 4.4963172 14 Zr 4.9536914 0.0000000 0.0000000 0.0000000 4.6502002 0.0000000 0.0000000 0.0000000 4.4963172 15 Ba 2.5579353 0.0000000 0.0000000 0.0000000 3.0769294 0.0000000 0.0000000 0.0000000 2.9194473 16 Ba 2.5579353 0.0000000 0.0000000 0.0000000 3.0769294 0.0000000 0.0000000 0.0000000 2.9194473 ---------------------------------------------------------------------------- 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: 12144/12144 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1312 Number of blocks in projector: 1312 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: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1312, 1292), data: False |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (232, 230), data: True |-- (236, 234), data: True |-- (268, 264), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.989 Solver_block: 200 / 240 - Time: 1.951 Solver_block: 240 / 240 - Time: 0.835 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.985 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 12144/12144 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1312 Number of blocks in projector: 1312 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: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1312, 1292), data: False |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (232, 230), data: True |-- (236, 234), data: True |-- (268, 264), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:48:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.804854709999999 -5.709035165000000 0.000000000000000 b 3.804854709999999 5.709035165000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.490828950000000 Atomic positions (fractional): 1 F 0.68066162520455 0.93314538197282 0.24967427078378 18.998 2 F 0.81933837479545 0.56685461802718 0.24967427078378 18.998 3 F 0.93314538197282 0.68066162520455 0.75032572921622 18.998 4 F 0.56685461802718 0.81933837479545 0.75032572921622 18.998 5 F 0.06766516795299 0.93233483204701 0.15419195473534 18.998 6 F 0.43233483204701 0.56766516795299 0.15419195473534 18.998 7 F 0.93233483204701 0.06766516795299 0.84580804526466 18.998 8 F 0.56766516795299 0.43233483204701 0.84580804526466 18.998 9 F 0.43314538197282 0.18066162520455 0.24967427078378 18.998 10 F 0.06685461802718 0.31933837479545 0.24967427078378 18.998 11 F 0.18066162520455 0.43314538197282 0.75032572921622 18.998 12 F 0.31933837479545 0.06685461802718 0.75032572921622 18.998 13 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 14 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 15 Ba 0.75000000000000 0.25000000000000 0.55962310123595 137.327 16 Ba 0.25000000000000 0.75000000000000 0.44037689876405 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.219418839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418070329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.981657900000000 Atomic positions (fractional): 1 F 0.40345175179434 0.12624187838413 0.12483713539189 18.998 > 1 2 F 0.90345175179434 0.12624187838413 0.12483713539189 18.998 > 1 3 F 0.40345175179434 0.12624187838413 0.62483713539189 18.998 > 1 4 F 0.90345175179434 0.12624187838413 0.62483713539189 18.998 > 1 5 F 0.34654824820566 0.87375812161587 0.12483713539189 18.998 > 5 6 F 0.84654824820566 0.87375812161587 0.12483713539189 18.998 > 5 7 F 0.34654824820566 0.87375812161587 0.62483713539189 18.998 > 5 8 F 0.84654824820566 0.87375812161587 0.62483713539189 18.998 > 5 9 F 0.40345175179434 0.87375812161587 0.37516286460811 18.998 > 9 10 F 0.90345175179434 0.87375812161587 0.37516286460811 18.998 > 9 11 F 0.40345175179434 0.87375812161587 0.87516286460811 18.998 > 9 12 F 0.90345175179434 0.87375812161587 0.87516286460811 18.998 > 9 13 F 0.34654824820566 0.12624187838413 0.37516286460811 18.998 > 13 14 F 0.84654824820566 0.12624187838413 0.37516286460811 18.998 > 13 15 F 0.34654824820566 0.12624187838413 0.87516286460811 18.998 > 13 16 F 0.84654824820566 0.12624187838413 0.87516286460811 18.998 > 13 17 F 0.25000000000000 0.43233483204701 0.07709597736767 18.998 > 17 18 F 0.75000000000000 0.43233483204701 0.07709597736767 18.998 > 17 19 F 0.25000000000000 0.43233483204701 0.57709597736767 18.998 > 17 20 F 0.75000000000000 0.43233483204701 0.57709597736767 18.998 > 17 21 F 0.25000000000000 0.06766516795299 0.07709597736767 18.998 > 21 22 F 0.75000000000000 0.06766516795299 0.07709597736767 18.998 > 21 23 F 0.25000000000000 0.06766516795299 0.57709597736767 18.998 > 21 24 F 0.75000000000000 0.06766516795299 0.57709597736767 18.998 > 21 25 F 0.25000000000000 0.56766516795299 0.42290402263233 18.998 > 25 26 F 0.75000000000000 0.56766516795299 0.42290402263233 18.998 > 25 27 F 0.25000000000000 0.56766516795299 0.92290402263233 18.998 > 25 28 F 0.75000000000000 0.56766516795299 0.92290402263233 18.998 > 25 29 F 0.25000000000000 0.93233483204701 0.42290402263233 18.998 > 29 30 F 0.75000000000000 0.93233483204701 0.42290402263233 18.998 > 29 31 F 0.25000000000000 0.93233483204701 0.92290402263233 18.998 > 29 32 F 0.75000000000000 0.93233483204701 0.92290402263233 18.998 > 29 33 F 0.15345175179434 0.87375812161587 0.12483713539189 18.998 > 33 34 F 0.65345175179434 0.87375812161587 0.12483713539189 18.998 > 33 35 F 0.15345175179434 0.87375812161587 0.62483713539189 18.998 > 33 36 F 0.65345175179434 0.87375812161587 0.62483713539189 18.998 > 33 37 F 0.09654824820566 0.12624187838413 0.12483713539189 18.998 > 37 38 F 0.59654824820566 0.12624187838413 0.12483713539189 18.998 > 37 39 F 0.09654824820566 0.12624187838413 0.62483713539189 18.998 > 37 40 F 0.59654824820566 0.12624187838413 0.62483713539189 18.998 > 37 41 F 0.15345175179434 0.12624187838413 0.37516286460811 18.998 > 41 42 F 0.65345175179434 0.12624187838413 0.37516286460811 18.998 > 41 43 F 0.15345175179434 0.12624187838413 0.87516286460811 18.998 > 41 44 F 0.65345175179434 0.12624187838413 0.87516286460811 18.998 > 41 45 F 0.09654824820566 0.87375812161587 0.37516286460811 18.998 > 45 46 F 0.59654824820566 0.87375812161587 0.37516286460811 18.998 > 45 47 F 0.09654824820566 0.87375812161587 0.87516286460811 18.998 > 45 48 F 0.59654824820566 0.87375812161587 0.87516286460811 18.998 > 45 49 F 0.15345175179434 0.62624187838413 0.12483713539189 18.998 > 1 50 F 0.65345175179434 0.62624187838413 0.12483713539189 18.998 > 1 51 F 0.15345175179434 0.62624187838413 0.62483713539189 18.998 > 1 52 F 0.65345175179434 0.62624187838413 0.62483713539189 18.998 > 1 53 F 0.09654824820566 0.37375812161587 0.12483713539189 18.998 > 5 54 F 0.59654824820566 0.37375812161587 0.12483713539189 18.998 > 5 55 F 0.09654824820566 0.37375812161587 0.62483713539189 18.998 > 5 56 F 0.59654824820566 0.37375812161587 0.62483713539189 18.998 > 5 57 F 0.15345175179434 0.37375812161587 0.37516286460811 18.998 > 9 58 F 0.65345175179434 0.37375812161587 0.37516286460811 18.998 > 9 59 F 0.15345175179434 0.37375812161587 0.87516286460811 18.998 > 9 60 F 0.65345175179434 0.37375812161587 0.87516286460811 18.998 > 9 61 F 0.09654824820566 0.62624187838413 0.37516286460811 18.998 > 13 62 F 0.59654824820566 0.62624187838413 0.37516286460811 18.998 > 13 63 F 0.09654824820566 0.62624187838413 0.87516286460811 18.998 > 13 64 F 0.59654824820566 0.62624187838413 0.87516286460811 18.998 > 13 65 F 0.00000000000000 0.93233483204701 0.07709597736767 18.998 > 17 66 F 0.50000000000000 0.93233483204701 0.07709597736767 18.998 > 17 67 F 0.00000000000000 0.93233483204701 0.57709597736767 18.998 > 17 68 F 0.50000000000000 0.93233483204701 0.57709597736767 18.998 > 17 69 F 0.00000000000000 0.56766516795299 0.07709597736767 18.998 > 21 70 F 0.50000000000000 0.56766516795299 0.07709597736767 18.998 > 21 71 F 0.00000000000000 0.56766516795299 0.57709597736767 18.998 > 21 72 F 0.50000000000000 0.56766516795299 0.57709597736767 18.998 > 21 73 F 0.00000000000000 0.06766516795299 0.42290402263233 18.998 > 25 74 F 0.50000000000000 0.06766516795299 0.42290402263233 18.998 > 25 75 F 0.00000000000000 0.06766516795299 0.92290402263233 18.998 > 25 76 F 0.50000000000000 0.06766516795299 0.92290402263233 18.998 > 25 77 F 0.00000000000000 0.43233483204701 0.42290402263233 18.998 > 29 78 F 0.50000000000000 0.43233483204701 0.42290402263233 18.998 > 29 79 F 0.00000000000000 0.43233483204701 0.92290402263233 18.998 > 29 80 F 0.50000000000000 0.43233483204701 0.92290402263233 18.998 > 29 81 F 0.40345175179434 0.37375812161587 0.12483713539189 18.998 > 33 82 F 0.90345175179434 0.37375812161587 0.12483713539189 18.998 > 33 83 F 0.40345175179434 0.37375812161587 0.62483713539189 18.998 > 33 84 F 0.90345175179434 0.37375812161587 0.62483713539189 18.998 > 33 85 F 0.34654824820566 0.62624187838413 0.12483713539189 18.998 > 37 86 F 0.84654824820566 0.62624187838413 0.12483713539189 18.998 > 37 87 F 0.34654824820566 0.62624187838413 0.62483713539189 18.998 > 37 88 F 0.84654824820566 0.62624187838413 0.62483713539189 18.998 > 37 89 F 0.40345175179434 0.62624187838413 0.37516286460811 18.998 > 41 90 F 0.90345175179434 0.62624187838413 0.37516286460811 18.998 > 41 91 F 0.40345175179434 0.62624187838413 0.87516286460811 18.998 > 41 92 F 0.90345175179434 0.62624187838413 0.87516286460811 18.998 > 41 93 F 0.34654824820566 0.37375812161587 0.37516286460811 18.998 > 45 94 F 0.84654824820566 0.37375812161587 0.37516286460811 18.998 > 45 95 F 0.34654824820566 0.37375812161587 0.87516286460811 18.998 > 45 96 F 0.84654824820566 0.37375812161587 0.87516286460811 18.998 > 45 97 Zr 0.12500000000000 0.00000000000000 0.00000000000000 91.224 > 97 98 Zr 0.62500000000000 0.00000000000000 0.00000000000000 91.224 > 97 99 Zr 0.12500000000000 0.00000000000000 0.50000000000000 91.224 > 97 100 Zr 0.62500000000000 0.00000000000000 0.50000000000000 91.224 > 97 101 Zr 0.37500000000000 0.00000000000000 0.00000000000000 91.224 > 101 102 Zr 0.87500000000000 0.00000000000000 0.00000000000000 91.224 > 101 103 Zr 0.37500000000000 0.00000000000000 0.50000000000000 91.224 > 101 104 Zr 0.87500000000000 0.00000000000000 0.50000000000000 91.224 > 101 105 Zr 0.37500000000000 0.50000000000000 0.00000000000000 91.224 > 97 106 Zr 0.87500000000000 0.50000000000000 0.00000000000000 91.224 > 97 107 Zr 0.37500000000000 0.50000000000000 0.50000000000000 91.224 > 97 108 Zr 0.87500000000000 0.50000000000000 0.50000000000000 91.224 > 97 109 Zr 0.12500000000000 0.50000000000000 0.00000000000000 91.224 > 101 110 Zr 0.62500000000000 0.50000000000000 0.00000000000000 91.224 > 101 111 Zr 0.12500000000000 0.50000000000000 0.50000000000000 91.224 > 101 112 Zr 0.62500000000000 0.50000000000000 0.50000000000000 91.224 > 101 113 Ba 0.25000000000000 0.75000000000000 0.27981155061798 137.327 > 113 114 Ba 0.75000000000000 0.75000000000000 0.27981155061798 137.327 > 113 115 Ba 0.25000000000000 0.75000000000000 0.77981155061798 137.327 > 113 116 Ba 0.75000000000000 0.75000000000000 0.77981155061798 137.327 > 113 117 Ba 0.25000000000000 0.25000000000000 0.22018844938203 137.327 > 117 118 Ba 0.75000000000000 0.25000000000000 0.22018844938203 137.327 > 117 119 Ba 0.25000000000000 0.25000000000000 0.72018844938202 137.327 > 117 120 Ba 0.75000000000000 0.25000000000000 0.72018844938202 137.327 > 117 121 Ba 0.00000000000000 0.25000000000000 0.27981155061798 137.327 > 113 122 Ba 0.50000000000000 0.25000000000000 0.27981155061798 137.327 > 113 123 Ba 0.00000000000000 0.25000000000000 0.77981155061798 137.327 > 113 124 Ba 0.50000000000000 0.25000000000000 0.77981155061798 137.327 > 113 125 Ba 0.00000000000000 0.75000000000000 0.22018844938203 137.327 > 117 126 Ba 0.50000000000000 0.75000000000000 0.22018844938203 137.327 > 117 127 Ba 0.00000000000000 0.75000000000000 0.72018844938202 137.327 > 117 128 Ba 0.50000000000000 0.75000000000000 0.72018844938202 137.327 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6049483 0.0000000 0.0000000 0.0000000 2.6038461 0.0000000 0.0000000 0.0000000 2.5485437 -------------------------- Born effective charges -------------------------- 1 F -0.9724487 -0.1597487 -0.2078125 -0.2097472 -1.4330202 -0.7739955 -0.2239481 -0.7686605 -1.3975360 2 F -0.9724487 -0.1597487 0.2078125 -0.2097472 -1.4330202 0.7739955 0.2239481 0.7686605 -1.3975360 3 F -0.9724487 0.1597487 0.2078125 0.2097472 -1.4330202 -0.7739955 0.2239481 -0.7686605 -1.3975360 4 F -0.9724487 0.1597487 -0.2078125 0.2097472 -1.4330202 0.7739955 -0.2239481 0.7686605 -1.3975360 5 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 0.3825363 0.0000000 0.3997264 -0.9128104 6 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 -0.3825363 0.0000000 -0.3997264 -0.9128104 7 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 0.3825363 0.0000000 0.3997264 -0.9128104 8 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 -0.3825363 0.0000000 -0.3997264 -0.9128104 9 F -0.9724487 0.1597487 -0.2078125 0.2097472 -1.4330202 0.7739955 -0.2239481 0.7686605 -1.3975360 10 F -0.9724487 0.1597487 0.2078125 0.2097472 -1.4330202 -0.7739955 0.2239481 -0.7686605 -1.3975360 11 F -0.9724487 -0.1597487 0.2078125 -0.2097472 -1.4330202 0.7739955 0.2239481 0.7686605 -1.3975360 12 F -0.9724487 -0.1597487 -0.2078125 -0.2097472 -1.4330202 -0.7739955 -0.2239481 -0.7686605 -1.3975360 13 Zr 4.9536914 0.0000000 0.0000000 0.0000000 4.6502002 0.0000000 0.0000000 0.0000000 4.4963172 14 Zr 4.9536914 0.0000000 0.0000000 0.0000000 4.6502002 0.0000000 0.0000000 0.0000000 4.4963172 15 Ba 2.5579353 0.0000000 0.0000000 0.0000000 3.0769294 0.0000000 0.0000000 0.0000000 2.9194473 16 Ba 2.5579353 0.0000000 0.0000000 0.0000000 3.0769294 0.0000000 0.0000000 0.0000000 2.9194473 ---------------------------------------------------------------------------- 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:48:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.804854709999999 -5.709035165000000 0.000000000000000 b 3.804854709999999 5.709035165000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.490828950000000 Atomic positions (fractional): 1 F 0.68066162520455 0.93314538197282 0.24967427078378 18.998 2 F 0.81933837479545 0.56685461802718 0.24967427078378 18.998 3 F 0.93314538197282 0.68066162520455 0.75032572921622 18.998 4 F 0.56685461802718 0.81933837479545 0.75032572921622 18.998 5 F 0.06766516795299 0.93233483204701 0.15419195473534 18.998 6 F 0.43233483204701 0.56766516795299 0.15419195473534 18.998 7 F 0.93233483204701 0.06766516795299 0.84580804526466 18.998 8 F 0.56766516795299 0.43233483204701 0.84580804526466 18.998 9 F 0.43314538197282 0.18066162520455 0.24967427078378 18.998 10 F 0.06685461802718 0.31933837479545 0.24967427078378 18.998 11 F 0.18066162520455 0.43314538197282 0.75032572921622 18.998 12 F 0.31933837479545 0.06685461802718 0.75032572921622 18.998 13 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 14 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 15 Ba 0.75000000000000 0.25000000000000 0.55962310123595 137.327 16 Ba 0.25000000000000 0.75000000000000 0.44037689876405 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.219418839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418070329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.981657900000000 Atomic positions (fractional): 1 F 0.40345175179434 0.12624187838413 0.12483713539189 18.998 > 1 2 F 0.90345175179434 0.12624187838413 0.12483713539189 18.998 > 1 3 F 0.40345175179434 0.12624187838413 0.62483713539189 18.998 > 1 4 F 0.90345175179434 0.12624187838413 0.62483713539189 18.998 > 1 5 F 0.34654824820566 0.87375812161587 0.12483713539189 18.998 > 5 6 F 0.84654824820566 0.87375812161587 0.12483713539189 18.998 > 5 7 F 0.34654824820566 0.87375812161587 0.62483713539189 18.998 > 5 8 F 0.84654824820566 0.87375812161587 0.62483713539189 18.998 > 5 9 F 0.40345175179434 0.87375812161587 0.37516286460811 18.998 > 9 10 F 0.90345175179434 0.87375812161587 0.37516286460811 18.998 > 9 11 F 0.40345175179434 0.87375812161587 0.87516286460811 18.998 > 9 12 F 0.90345175179434 0.87375812161587 0.87516286460811 18.998 > 9 13 F 0.34654824820566 0.12624187838413 0.37516286460811 18.998 > 13 14 F 0.84654824820566 0.12624187838413 0.37516286460811 18.998 > 13 15 F 0.34654824820566 0.12624187838413 0.87516286460811 18.998 > 13 16 F 0.84654824820566 0.12624187838413 0.87516286460811 18.998 > 13 17 F 0.25000000000000 0.43233483204701 0.07709597736767 18.998 > 17 18 F 0.75000000000000 0.43233483204701 0.07709597736767 18.998 > 17 19 F 0.25000000000000 0.43233483204701 0.57709597736767 18.998 > 17 20 F 0.75000000000000 0.43233483204701 0.57709597736767 18.998 > 17 21 F 0.25000000000000 0.06766516795299 0.07709597736767 18.998 > 21 22 F 0.75000000000000 0.06766516795299 0.07709597736767 18.998 > 21 23 F 0.25000000000000 0.06766516795299 0.57709597736767 18.998 > 21 24 F 0.75000000000000 0.06766516795299 0.57709597736767 18.998 > 21 25 F 0.25000000000000 0.56766516795299 0.42290402263233 18.998 > 25 26 F 0.75000000000000 0.56766516795299 0.42290402263233 18.998 > 25 27 F 0.25000000000000 0.56766516795299 0.92290402263233 18.998 > 25 28 F 0.75000000000000 0.56766516795299 0.92290402263233 18.998 > 25 29 F 0.25000000000000 0.93233483204701 0.42290402263233 18.998 > 29 30 F 0.75000000000000 0.93233483204701 0.42290402263233 18.998 > 29 31 F 0.25000000000000 0.93233483204701 0.92290402263233 18.998 > 29 32 F 0.75000000000000 0.93233483204701 0.92290402263233 18.998 > 29 33 F 0.15345175179434 0.87375812161587 0.12483713539189 18.998 > 33 34 F 0.65345175179434 0.87375812161587 0.12483713539189 18.998 > 33 35 F 0.15345175179434 0.87375812161587 0.62483713539189 18.998 > 33 36 F 0.65345175179434 0.87375812161587 0.62483713539189 18.998 > 33 37 F 0.09654824820566 0.12624187838413 0.12483713539189 18.998 > 37 38 F 0.59654824820566 0.12624187838413 0.12483713539189 18.998 > 37 39 F 0.09654824820566 0.12624187838413 0.62483713539189 18.998 > 37 40 F 0.59654824820566 0.12624187838413 0.62483713539189 18.998 > 37 41 F 0.15345175179434 0.12624187838413 0.37516286460811 18.998 > 41 42 F 0.65345175179434 0.12624187838413 0.37516286460811 18.998 > 41 43 F 0.15345175179434 0.12624187838413 0.87516286460811 18.998 > 41 44 F 0.65345175179434 0.12624187838413 0.87516286460811 18.998 > 41 45 F 0.09654824820566 0.87375812161587 0.37516286460811 18.998 > 45 46 F 0.59654824820566 0.87375812161587 0.37516286460811 18.998 > 45 47 F 0.09654824820566 0.87375812161587 0.87516286460811 18.998 > 45 48 F 0.59654824820566 0.87375812161587 0.87516286460811 18.998 > 45 49 F 0.15345175179434 0.62624187838413 0.12483713539189 18.998 > 1 50 F 0.65345175179434 0.62624187838413 0.12483713539189 18.998 > 1 51 F 0.15345175179434 0.62624187838413 0.62483713539189 18.998 > 1 52 F 0.65345175179434 0.62624187838413 0.62483713539189 18.998 > 1 53 F 0.09654824820566 0.37375812161587 0.12483713539189 18.998 > 5 54 F 0.59654824820566 0.37375812161587 0.12483713539189 18.998 > 5 55 F 0.09654824820566 0.37375812161587 0.62483713539189 18.998 > 5 56 F 0.59654824820566 0.37375812161587 0.62483713539189 18.998 > 5 57 F 0.15345175179434 0.37375812161587 0.37516286460811 18.998 > 9 58 F 0.65345175179434 0.37375812161587 0.37516286460811 18.998 > 9 59 F 0.15345175179434 0.37375812161587 0.87516286460811 18.998 > 9 60 F 0.65345175179434 0.37375812161587 0.87516286460811 18.998 > 9 61 F 0.09654824820566 0.62624187838413 0.37516286460811 18.998 > 13 62 F 0.59654824820566 0.62624187838413 0.37516286460811 18.998 > 13 63 F 0.09654824820566 0.62624187838413 0.87516286460811 18.998 > 13 64 F 0.59654824820566 0.62624187838413 0.87516286460811 18.998 > 13 65 F 0.00000000000000 0.93233483204701 0.07709597736767 18.998 > 17 66 F 0.50000000000000 0.93233483204701 0.07709597736767 18.998 > 17 67 F 0.00000000000000 0.93233483204701 0.57709597736767 18.998 > 17 68 F 0.50000000000000 0.93233483204701 0.57709597736767 18.998 > 17 69 F 0.00000000000000 0.56766516795299 0.07709597736767 18.998 > 21 70 F 0.50000000000000 0.56766516795299 0.07709597736767 18.998 > 21 71 F 0.00000000000000 0.56766516795299 0.57709597736767 18.998 > 21 72 F 0.50000000000000 0.56766516795299 0.57709597736767 18.998 > 21 73 F 0.00000000000000 0.06766516795299 0.42290402263233 18.998 > 25 74 F 0.50000000000000 0.06766516795299 0.42290402263233 18.998 > 25 75 F 0.00000000000000 0.06766516795299 0.92290402263233 18.998 > 25 76 F 0.50000000000000 0.06766516795299 0.92290402263233 18.998 > 25 77 F 0.00000000000000 0.43233483204701 0.42290402263233 18.998 > 29 78 F 0.50000000000000 0.43233483204701 0.42290402263233 18.998 > 29 79 F 0.00000000000000 0.43233483204701 0.92290402263233 18.998 > 29 80 F 0.50000000000000 0.43233483204701 0.92290402263233 18.998 > 29 81 F 0.40345175179434 0.37375812161587 0.12483713539189 18.998 > 33 82 F 0.90345175179434 0.37375812161587 0.12483713539189 18.998 > 33 83 F 0.40345175179434 0.37375812161587 0.62483713539189 18.998 > 33 84 F 0.90345175179434 0.37375812161587 0.62483713539189 18.998 > 33 85 F 0.34654824820566 0.62624187838413 0.12483713539189 18.998 > 37 86 F 0.84654824820566 0.62624187838413 0.12483713539189 18.998 > 37 87 F 0.34654824820566 0.62624187838413 0.62483713539189 18.998 > 37 88 F 0.84654824820566 0.62624187838413 0.62483713539189 18.998 > 37 89 F 0.40345175179434 0.62624187838413 0.37516286460811 18.998 > 41 90 F 0.90345175179434 0.62624187838413 0.37516286460811 18.998 > 41 91 F 0.40345175179434 0.62624187838413 0.87516286460811 18.998 > 41 92 F 0.90345175179434 0.62624187838413 0.87516286460811 18.998 > 41 93 F 0.34654824820566 0.37375812161587 0.37516286460811 18.998 > 45 94 F 0.84654824820566 0.37375812161587 0.37516286460811 18.998 > 45 95 F 0.34654824820566 0.37375812161587 0.87516286460811 18.998 > 45 96 F 0.84654824820566 0.37375812161587 0.87516286460811 18.998 > 45 97 Zr 0.12500000000000 0.00000000000000 0.00000000000000 91.224 > 97 98 Zr 0.62500000000000 0.00000000000000 0.00000000000000 91.224 > 97 99 Zr 0.12500000000000 0.00000000000000 0.50000000000000 91.224 > 97 100 Zr 0.62500000000000 0.00000000000000 0.50000000000000 91.224 > 97 101 Zr 0.37500000000000 0.00000000000000 0.00000000000000 91.224 > 101 102 Zr 0.87500000000000 0.00000000000000 0.00000000000000 91.224 > 101 103 Zr 0.37500000000000 0.00000000000000 0.50000000000000 91.224 > 101 104 Zr 0.87500000000000 0.00000000000000 0.50000000000000 91.224 > 101 105 Zr 0.37500000000000 0.50000000000000 0.00000000000000 91.224 > 97 106 Zr 0.87500000000000 0.50000000000000 0.00000000000000 91.224 > 97 107 Zr 0.37500000000000 0.50000000000000 0.50000000000000 91.224 > 97 108 Zr 0.87500000000000 0.50000000000000 0.50000000000000 91.224 > 97 109 Zr 0.12500000000000 0.50000000000000 0.00000000000000 91.224 > 101 110 Zr 0.62500000000000 0.50000000000000 0.00000000000000 91.224 > 101 111 Zr 0.12500000000000 0.50000000000000 0.50000000000000 91.224 > 101 112 Zr 0.62500000000000 0.50000000000000 0.50000000000000 91.224 > 101 113 Ba 0.25000000000000 0.75000000000000 0.27981155061798 137.327 > 113 114 Ba 0.75000000000000 0.75000000000000 0.27981155061798 137.327 > 113 115 Ba 0.25000000000000 0.75000000000000 0.77981155061798 137.327 > 113 116 Ba 0.75000000000000 0.75000000000000 0.77981155061798 137.327 > 113 117 Ba 0.25000000000000 0.25000000000000 0.22018844938203 137.327 > 117 118 Ba 0.75000000000000 0.25000000000000 0.22018844938203 137.327 > 117 119 Ba 0.25000000000000 0.25000000000000 0.72018844938202 137.327 > 117 120 Ba 0.75000000000000 0.25000000000000 0.72018844938202 137.327 > 117 121 Ba 0.00000000000000 0.25000000000000 0.27981155061798 137.327 > 113 122 Ba 0.50000000000000 0.25000000000000 0.27981155061798 137.327 > 113 123 Ba 0.00000000000000 0.25000000000000 0.77981155061798 137.327 > 113 124 Ba 0.50000000000000 0.25000000000000 0.77981155061798 137.327 > 113 125 Ba 0.00000000000000 0.75000000000000 0.22018844938203 137.327 > 117 126 Ba 0.50000000000000 0.75000000000000 0.22018844938203 137.327 > 117 127 Ba 0.00000000000000 0.75000000000000 0.72018844938202 137.327 > 117 128 Ba 0.50000000000000 0.75000000000000 0.72018844938202 137.327 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6049483 0.0000000 0.0000000 0.0000000 2.6038461 0.0000000 0.0000000 0.0000000 2.5485437 -------------------------- Born effective charges -------------------------- 1 F -0.9724487 -0.1597487 -0.2078125 -0.2097472 -1.4330202 -0.7739955 -0.2239481 -0.7686605 -1.3975360 2 F -0.9724487 -0.1597487 0.2078125 -0.2097472 -1.4330202 0.7739955 0.2239481 0.7686605 -1.3975360 3 F -0.9724487 0.1597487 0.2078125 0.2097472 -1.4330202 -0.7739955 0.2239481 -0.7686605 -1.3975360 4 F -0.9724487 0.1597487 -0.2078125 0.2097472 -1.4330202 0.7739955 -0.2239481 0.7686605 -1.3975360 5 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 0.3825363 0.0000000 0.3997264 -0.9128104 6 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 -0.3825363 0.0000000 -0.3997264 -0.9128104 7 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 0.3825363 0.0000000 0.3997264 -0.9128104 8 F -1.8109159 0.0000000 0.0000000 0.0000000 -0.9975244 -0.3825363 0.0000000 -0.3997264 -0.9128104 9 F -0.9724487 0.1597487 -0.2078125 0.2097472 -1.4330202 0.7739955 -0.2239481 0.7686605 -1.3975360 10 F -0.9724487 0.1597487 0.2078125 0.2097472 -1.4330202 -0.7739955 0.2239481 -0.7686605 -1.3975360 11 F -0.9724487 -0.1597487 0.2078125 -0.2097472 -1.4330202 0.7739955 0.2239481 0.7686605 -1.3975360 12 F -0.9724487 -0.1597487 -0.2078125 -0.2097472 -1.4330202 -0.7739955 -0.2239481 -0.7686605 -1.3975360 13 Zr 4.9536914 0.0000000 0.0000000 0.0000000 4.6502002 0.0000000 0.0000000 0.0000000 4.4963172 14 Zr 4.9536914 0.0000000 0.0000000 0.0000000 4.6502002 0.0000000 0.0000000 0.0000000 4.4963172 15 Ba 2.5579353 0.0000000 0.0000000 0.0000000 3.0769294 0.0000000 0.0000000 0.0000000 2.9194473 16 Ba 2.5579353 0.0000000 0.0000000 0.0000000 3.0769294 0.0000000 0.0000000 0.0000000 2.9194473 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] 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: 0.67, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 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 0.764 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.311 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 16.387 ( 0.000 0.000 0.000) 0.000 16.513 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 13.214 -25.831 0.000) 29.015 0.545 ( 13.517 -29.060 0.000) 32.050 0.885 ( 4.081 -14.323 0.000) 14.893 1.015 ( 47.350 -15.959 0.000) 49.967 2.086 ( 3.148 -0.570 0.000) 3.199 2.776 ( 2.506 0.761 0.000) 2.619 2.789 ( -2.553 5.918 0.000) 6.445 2.871 ( 14.678 17.017 0.000) 22.473 2.944 ( -4.589 -4.690 0.000) 6.562 3.241 ( 0.793 -3.916 0.000) 3.995 3.377 ( -3.510 3.488 0.000) 4.948 3.545 ( -16.073 -19.988 0.000) 25.649 3.780 ( 14.184 4.671 0.000) 14.934 4.250 ( -13.846 -12.520 0.000) 18.667 4.263 ( -3.539 5.297 0.000) 6.371 4.490 ( 5.176 11.559 0.000) 12.665 4.803 ( 9.459 -3.158 0.000) 9.972 5.186 ( 3.407 2.648 0.000) 4.315 5.216 ( 12.740 -3.186 0.000) 13.133 5.305 ( -20.120 -5.627 0.000) 20.892 6.062 ( 14.370 -0.347 0.000) 14.374 6.201 ( -12.404 0.569 0.000) 12.418 6.297 ( -2.542 -0.488 0.000) 2.588 6.424 ( 2.067 -1.870 0.000) 2.787 6.448 ( 4.269 -3.126 0.000) 5.291 6.572 ( -1.780 2.021 0.000) 2.693 6.999 ( -2.602 4.303 0.000) 5.029 7.905 ( 34.575 62.987 0.000) 71.852 8.115 ( 28.000 35.726 0.000) 45.391 8.519 ( -3.796 0.952 0.000) 3.913 8.563 ( -4.822 0.173 0.000) 4.825 8.956 ( -8.105 -1.143 0.000) 8.185 10.103 ( -10.741 -13.357 0.000) 17.140 10.224 ( 5.704 -1.027 0.000) 5.796 10.669 ( -4.087 3.950 0.000) 5.684 10.685 ( 3.458 -0.701 0.000) 3.529 11.187 ( -0.214 0.893 0.000) 0.918 11.884 ( 39.231 73.511 0.000) 83.324 12.877 ( 1.406 -0.881 0.000) 1.659 12.958 ( 0.879 -0.863 0.000) 1.231 13.534 ( 3.210 6.329 0.000) 7.097 13.850 ( -6.722 5.844 0.000) 8.907 14.388 ( 5.519 5.535 0.000) 7.816 14.443 ( 0.165 -1.791 0.000) 1.799 14.553 ( 12.431 -7.722 0.000) 14.634 16.060 ( -82.213 -115.966 0.000) 142.152 16.409 ( 1.654 -1.218 0.000) 2.054 16.525 ( 1.818 0.790 0.000) 1.982 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 12.910 -22.864 0.000) 26.257 1.074 ( 12.751 -27.629 0.000) 30.430 1.169 ( 6.142 -20.796 0.000) 21.684 1.786 ( 24.786 -5.653 0.000) 25.422 2.196 ( 10.872 -3.576 0.000) 11.445 2.593 ( -8.886 9.528 0.000) 13.028 2.788 ( -5.053 10.163 0.000) 11.350 2.831 ( 6.452 2.693 0.000) 6.992 2.969 ( 0.059 -2.873 0.000) 2.874 3.300 ( -1.458 -7.781 0.000) 7.916 3.484 ( -0.899 -5.880 0.000) 5.948 3.540 ( 20.498 2.160 0.000) 20.611 3.909 ( 7.487 4.656 0.000) 8.817 4.096 ( -6.600 9.879 0.000) 11.881 4.261 ( 0.042 -10.807 0.000) 10.807 4.369 ( 0.425 18.158 0.000) 18.163 5.004 ( 10.241 -4.038 0.000) 11.008 5.066 ( -18.160 -9.605 0.000) 20.544 5.266 ( 8.623 3.035 0.000) 9.141 5.523 ( 17.023 -5.597 0.000) 17.920 5.866 ( -27.087 -2.480 0.000) 27.201 6.222 ( 7.462 5.870 0.000) 9.495 6.255 ( -1.431 2.033 0.000) 2.486 6.470 ( 1.627 -2.273 0.000) 2.795 6.499 ( -5.706 0.095 0.000) 5.706 6.674 ( 12.122 -10.017 0.000) 15.725 6.882 ( -3.812 6.533 0.000) 7.564 7.755 ( 5.946 25.296 0.000) 25.985 8.178 ( 18.510 22.702 0.000) 29.292 8.421 ( -5.774 1.858 0.000) 6.066 8.463 ( -5.647 1.173 0.000) 5.768 8.799 ( -13.484 -3.377 0.000) 13.900 10.070 ( -6.298 -6.690 0.000) 9.188 10.305 ( 2.426 4.101 0.000) 4.765 10.592 ( 0.965 -1.065 0.000) 1.438 10.772 ( 5.404 -1.434 0.000) 5.591 11.165 ( -0.872 1.645 0.000) 1.862 11.665 ( 7.550 35.585 0.000) 36.377 12.921 ( 2.406 -1.113 0.000) 2.650 12.987 ( 0.911 -1.501 0.000) 1.756 13.513 ( -0.101 1.880 0.000) 1.883 13.688 ( -4.161 6.773 0.000) 7.949 14.404 ( 3.066 3.225 0.000) 4.450 14.465 ( -0.804 -2.759 0.000) 2.874 14.891 ( 21.201 -0.799 0.000) 21.216 15.944 ( -45.263 -54.414 0.000) 70.779 16.460 ( 2.133 -2.089 0.000) 2.985 16.549 ( 2.370 1.508 0.000) 2.809 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 10.222 -18.114 0.000) 20.799 1.530 ( 8.958 -22.549 0.000) 24.263 1.560 ( 11.329 -24.588 0.000) 27.072 1.903 ( -0.554 7.847 0.000) 7.867 2.290 ( -3.827 16.131 0.000) 16.579 2.315 ( -9.456 13.669 0.000) 16.621 2.769 ( 5.963 -10.725 0.000) 12.271 2.957 ( 13.474 1.466 0.000) 13.554 2.974 ( -1.017 0.781 0.000) 1.282 3.338 ( -5.291 -6.887 0.000) 8.685 3.501 ( -2.513 -8.830 0.000) 9.180 3.844 ( -7.938 12.549 0.000) 14.849 3.956 ( 1.465 -1.446 0.000) 2.058 4.072 ( 43.546 7.015 0.000) 44.108 4.162 ( -2.671 13.655 0.000) 13.914 4.444 ( 10.752 -4.139 0.000) 11.521 4.876 ( -16.154 -6.133 0.000) 17.279 5.219 ( 9.014 -5.154 0.000) 10.383 5.333 ( -17.864 0.301 0.000) 17.867 5.409 ( -12.547 -1.014 0.000) 12.588 5.853 ( 13.866 -6.773 0.000) 15.431 6.211 ( -0.541 3.587 0.000) 3.627 6.235 ( 4.016 7.053 0.000) 8.116 6.386 ( -8.497 -1.288 0.000) 8.594 6.535 ( 2.445 -3.766 0.000) 4.490 6.749 ( -3.610 6.199 0.000) 7.174 6.996 ( 11.885 -11.045 0.000) 16.224 7.548 ( -3.786 15.567 0.000) 16.021 8.221 ( 6.979 8.271 0.000) 10.822 8.308 ( -4.365 2.605 0.000) 5.084 8.389 ( 4.616 8.593 0.000) 9.755 8.607 ( -16.433 -7.519 0.000) 18.071 10.057 ( -3.334 -5.933 0.000) 6.805 10.209 ( -2.391 8.426 0.000) 8.759 10.745 ( 8.101 -8.466 0.000) 11.717 10.880 ( 5.268 -1.609 0.000) 5.509 11.123 ( -1.771 1.793 0.000) 2.520 11.378 ( -3.896 21.196 0.000) 21.551 12.973 ( 2.660 -0.444 0.000) 2.697 13.012 ( -0.204 -1.637 0.000) 1.649 13.496 ( -1.162 -1.021 0.000) 1.547 13.570 ( -1.524 6.118 0.000) 6.305 14.425 ( 3.354 2.673 0.000) 4.289 14.471 ( -2.380 -2.892 0.000) 3.745 15.237 ( 24.968 7.717 0.000) 26.133 15.768 ( -33.667 -31.763 0.000) 46.286 16.516 ( 1.301 -2.513 0.000) 2.829 16.563 ( 1.628 2.112 0.000) 2.666 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 6.339 -13.517 0.000) 14.930 1.721 ( -6.339 13.517 0.000) 14.930 1.936 ( 11.031 -18.563 0.000) 21.593 1.936 ( -11.031 18.563 0.000) 21.593 1.978 ( 10.434 -16.979 0.000) 19.929 1.978 ( -10.434 16.979 0.000) 19.929 2.919 ( 3.002 -3.459 0.000) 4.580 2.919 ( -3.002 3.459 0.000) 4.580 3.220 ( -13.819 0.681 0.000) 13.836 3.220 ( 13.819 -0.681 0.000) 13.836 3.613 ( 3.588 -10.525 0.000) 11.119 3.613 ( -3.588 10.525 0.000) 11.119 4.016 ( 1.324 -6.685 0.000) 6.815 4.016 ( -1.324 6.685 0.000) 6.815 4.655 ( -18.335 -2.245 0.000) 18.472 4.655 ( 18.335 2.245 0.000) 18.472 4.751 ( -39.998 -4.573 0.000) 40.259 4.751 ( 39.998 4.573 0.000) 40.259 5.377 ( 2.463 -4.684 0.000) 5.292 5.377 ( -2.463 4.684 0.000) 5.292 6.100 ( 6.676 -6.655 0.000) 9.426 6.100 ( -6.676 6.655 0.000) 9.426 6.271 ( -7.591 -3.370 0.000) 8.306 6.271 ( 7.591 3.370 0.000) 8.306 6.631 ( 3.259 -4.960 0.000) 5.935 6.631 ( -3.259 4.960 0.000) 5.935 7.293 ( 8.813 -12.042 0.000) 14.922 7.293 ( -8.813 12.042 0.000) 14.922 8.239 ( 0.788 -1.868 0.000) 2.027 8.239 ( -0.788 1.868 0.000) 2.027 8.446 ( -15.703 -12.412 0.000) 20.016 8.446 ( 15.703 12.412 0.000) 20.016 10.100 ( -0.039 -7.175 0.000) 7.175 10.100 ( 0.039 7.175 0.000) 7.175 10.936 ( 0.771 -4.300 0.000) 4.369 10.936 ( -0.771 4.300 0.000) 4.369 11.125 ( 3.640 -7.317 0.000) 8.172 11.125 ( -3.640 7.317 0.000) 8.172 13.010 ( -1.821 -0.829 0.000) 2.001 13.010 ( 1.821 0.829 0.000) 2.001 13.507 ( -0.554 -3.956 0.000) 3.994 13.507 ( 0.554 3.956 0.000) 3.994 14.452 ( -3.379 -2.697 0.000) 4.323 14.452 ( 3.379 2.697 0.000) 4.323 15.533 ( -28.255 -18.163 0.000) 33.589 15.533 ( 28.255 18.163 0.000) 33.589 16.553 ( -0.191 -2.502 0.000) 2.509 16.553 ( 0.191 2.502 0.000) 2.509 ======================= Grid point 10 (6/105) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 19.596 0.000 0.000) 19.596 0.682 ( 21.423 0.000 0.000) 21.423 0.909 ( 8.273 0.000 0.000) 8.273 1.741 ( 42.603 0.000 0.000) 42.603 2.139 ( 3.535 0.000 0.000) 3.535 2.750 ( -9.011 -0.000 0.000) 9.011 2.868 ( 7.446 0.000 0.000) 7.446 2.891 ( 4.647 0.000 0.000) 4.647 3.087 ( -3.864 -0.000 0.000) 3.864 3.182 ( -10.252 -0.000 0.000) 10.252 3.208 ( -2.309 -0.000 0.000) 2.309 3.617 ( 28.195 0.000 0.000) 28.195 4.012 ( -8.844 -0.000 0.000) 8.844 4.087 ( 17.803 0.000 0.000) 17.803 4.208 ( -6.571 -0.000 0.000) 6.571 4.656 ( 4.676 0.000 0.000) 4.676 4.879 ( -24.566 -0.000 0.000) 24.566 4.955 ( 10.224 0.000 0.000) 10.224 5.301 ( 8.139 0.000 0.000) 8.139 5.460 ( 17.408 0.000 0.000) 17.408 5.836 ( -27.940 -0.000 0.000) 27.940 6.279 ( -0.626 -0.000 0.000) 0.626 6.305 ( 9.063 0.000 0.000) 9.063 6.465 ( 3.195 0.000 0.000) 3.195 6.506 ( -6.341 -0.000 0.000) 6.341 6.519 ( 9.791 0.000 0.000) 9.791 6.950 ( -5.189 -0.000 0.000) 5.189 7.946 ( -6.868 -0.000 0.000) 6.868 8.384 ( -9.857 -0.000 0.000) 9.857 8.442 ( -5.651 -0.000 0.000) 5.651 8.762 ( -14.412 -0.000 0.000) 14.412 8.837 ( 3.627 0.000 0.000) 3.627 9.931 ( -2.573 -0.000 0.000) 2.573 10.347 ( 9.028 0.000 0.000) 9.028 10.588 ( -7.389 -0.000 0.000) 7.389 10.755 ( 5.272 0.000 0.000) 5.272 11.184 ( -0.929 -0.000 0.000) 0.929 12.487 ( -18.333 -0.000 0.000) 18.333 12.887 ( 1.515 0.000 0.000) 1.515 12.970 ( 0.990 0.000 0.000) 0.990 13.773 ( -5.641 -0.000 0.000) 5.641 13.795 ( -1.153 -0.000 0.000) 1.153 14.089 ( -13.125 -0.000 0.000) 13.125 14.413 ( -0.580 -0.000 0.000) 0.580 14.900 ( 27.935 0.000 0.000) 27.935 14.941 ( 6.736 0.000 0.000) 6.736 16.436 ( 2.189 0.000 0.000) 2.189 16.568 ( 2.498 0.000 0.000) 2.498 ======================= Grid point 11 (7/105) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 17.187 -16.432 0.000) 23.778 1.086 ( 18.217 -8.950 0.000) 20.296 1.134 ( 11.858 -11.389 0.000) 16.441 2.114 ( 6.977 9.848 0.000) 12.069 2.393 ( 21.979 -8.611 0.000) 23.606 2.582 ( -5.045 8.583 0.000) 9.956 2.805 ( -7.795 16.194 0.000) 17.972 2.986 ( 4.244 0.260 0.000) 4.252 3.015 ( 10.592 2.184 0.000) 10.815 3.180 ( -3.911 -5.924 0.000) 7.099 3.218 ( -4.420 -16.042 0.000) 16.640 3.895 ( -6.458 -2.500 0.000) 6.925 4.050 ( -8.840 5.386 0.000) 10.352 4.196 ( 41.933 3.277 0.000) 42.060 4.396 ( 18.471 -0.615 0.000) 18.482 4.417 ( -17.876 8.389 0.000) 19.746 4.734 ( -6.077 -5.872 0.000) 8.450 5.127 ( 8.593 -2.558 0.000) 8.965 5.297 ( -37.655 -1.479 0.000) 37.684 5.433 ( 6.703 1.132 0.000) 6.798 5.744 ( 14.359 -2.726 0.000) 14.616 6.268 ( 0.125 1.627 0.000) 1.631 6.371 ( 3.086 3.074 0.000) 4.356 6.376 ( -9.096 0.036 0.000) 9.096 6.495 ( 2.418 1.280 0.000) 2.735 6.776 ( 12.580 -7.731 0.000) 14.765 6.845 ( -5.576 2.314 0.000) 6.037 7.780 ( -9.728 5.145 0.000) 11.005 8.238 ( -7.458 -1.058 0.000) 7.533 8.352 ( -4.055 1.223 0.000) 4.236 8.495 ( -19.209 -2.662 0.000) 19.392 8.802 ( 8.415 17.319 0.000) 19.255 9.922 ( -2.988 -5.223 0.000) 6.017 10.391 ( -2.258 8.052 0.000) 8.362 10.571 ( 4.793 -7.639 0.000) 9.018 10.849 ( 5.340 -0.899 0.000) 5.415 11.154 ( -2.250 0.804 0.000) 2.389 11.964 ( -17.219 26.406 0.000) 31.524 12.938 ( 1.970 -2.849 0.000) 3.464 12.984 ( 0.158 -0.725 0.000) 0.742 13.589 ( -0.888 13.103 0.000) 13.133 13.680 ( -3.396 3.072 0.000) 4.579 14.172 ( -13.842 -28.477 0.000) 31.663 14.416 ( 0.110 -1.360 0.000) 1.364 15.125 ( -2.729 -17.254 0.000) 17.468 15.385 ( 32.865 4.174 0.000) 33.129 16.473 ( 1.304 -1.159 0.000) 1.745 16.599 ( 1.724 0.925 0.000) 1.956 ======================= Grid point 12 (8/105) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 10.139 -12.246 0.000) 15.898 1.494 ( 12.374 -17.977 0.000) 21.824 1.539 ( 15.641 -14.072 0.000) 21.040 2.066 ( 4.082 12.601 0.000) 13.246 2.393 ( -1.599 16.178 0.000) 16.257 2.418 ( -5.834 21.899 0.000) 22.663 2.807 ( 9.315 -6.326 0.000) 11.260 2.979 ( -2.006 2.653 0.000) 3.326 3.202 ( -2.441 -3.195 0.000) 4.021 3.207 ( 13.290 -2.466 0.000) 13.517 3.353 ( 2.188 -11.201 0.000) 11.412 3.813 ( -10.184 7.953 0.000) 12.922 3.849 ( -5.870 -7.214 0.000) 9.300 4.092 ( -15.170 -0.311 0.000) 15.173 4.617 ( -30.854 -0.872 0.000) 30.866 4.688 ( -18.835 -1.236 0.000) 18.876 4.700 ( 19.357 1.654 0.000) 19.428 4.861 ( 42.360 4.630 0.000) 42.612 5.270 ( 3.361 -4.486 0.000) 5.605 5.460 ( -1.658 2.694 0.000) 3.164 5.965 ( 7.083 -4.831 0.000) 8.574 6.217 ( -4.805 3.655 0.000) 6.037 6.225 ( -8.988 -1.091 0.000) 9.054 6.371 ( 3.620 4.278 0.000) 5.604 6.544 ( 3.295 -1.643 0.000) 3.682 6.728 ( -4.597 3.406 0.000) 5.721 7.045 ( 7.543 -9.765 0.000) 12.339 7.528 ( -11.529 8.379 0.000) 14.253 8.184 ( -1.207 -2.455 0.000) 2.736 8.190 ( -20.029 -5.445 0.000) 20.755 8.327 ( 0.349 0.444 0.000) 0.564 8.778 ( 10.870 15.653 0.000) 19.057 9.948 ( -1.206 -6.349 0.000) 6.463 10.256 ( -2.688 6.769 0.000) 7.283 10.763 ( 6.204 -8.233 0.000) 10.309 10.940 ( 3.861 -1.309 0.000) 4.077 11.094 ( -3.492 0.867 0.000) 3.598 11.441 ( -16.170 18.211 0.000) 24.354 12.987 ( -0.984 -0.936 0.000) 1.358 13.002 ( 2.180 -2.058 0.000) 2.998 13.481 ( -2.082 3.156 0.000) 3.781 13.601 ( -1.414 3.822 0.000) 4.075 14.216 ( -12.619 -20.294 0.000) 23.897 14.442 ( 0.590 -1.900 0.000) 1.990 15.192 ( -6.916 -9.986 0.000) 12.147 15.867 ( 35.562 11.042 0.000) 37.237 16.500 ( -0.108 -2.082 0.000) 2.085 16.601 ( 0.242 1.676 0.000) 1.693 ======================= Grid point 13 (9/105) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 2.591 -8.004 0.000) 8.413 1.710 ( -1.473 2.599 0.000) 2.987 1.879 ( 5.150 -11.824 0.000) 12.897 2.053 ( -2.483 22.758 0.000) 22.893 2.112 ( 11.214 2.728 0.000) 11.541 2.210 ( 7.439 19.116 0.000) 20.512 2.894 ( -5.405 1.168 0.000) 5.530 2.947 ( 3.575 -1.879 0.000) 4.039 3.089 ( -6.453 11.004 0.000) 12.756 3.457 ( 12.388 3.227 0.000) 12.802 3.529 ( 3.902 -15.256 0.000) 15.747 3.586 ( -12.607 -0.742 0.000) 12.629 3.862 ( -5.226 -12.661 0.000) 13.698 3.928 ( -12.462 -3.646 0.000) 12.985 3.955 ( -35.618 -2.328 0.000) 35.694 4.556 ( -3.105 5.073 0.000) 5.948 4.988 ( 19.184 3.951 0.000) 19.587 5.270 ( -3.710 -3.852 0.000) 5.348 5.326 ( -9.221 4.174 0.000) 10.122 5.486 ( 33.419 4.311 0.000) 33.696 6.008 ( -12.945 6.550 0.000) 14.508 6.076 ( -0.950 -6.109 0.000) 6.182 6.145 ( -2.578 -3.201 0.000) 4.110 6.424 ( 5.328 0.260 0.000) 5.334 6.615 ( 1.166 -3.455 0.000) 3.646 6.624 ( -3.240 3.811 0.000) 5.002 7.203 ( -5.099 -13.433 0.000) 14.368 7.228 ( -12.805 9.571 0.000) 15.987 7.972 ( -14.893 -9.756 0.000) 17.804 8.246 ( 4.526 -2.843 0.000) 5.345 8.384 ( 7.497 1.967 0.000) 7.750 8.818 ( 11.811 11.196 0.000) 16.274 10.029 ( 1.698 -7.793 0.000) 7.976 10.173 ( 0.448 4.726 0.000) 4.747 10.886 ( -1.680 -2.547 0.000) 3.051 10.932 ( -8.085 6.865 0.000) 10.606 11.072 ( -0.240 -6.682 0.000) 6.686 11.104 ( -4.570 1.975 0.000) 4.978 12.972 ( -1.599 -0.297 0.000) 1.626 13.041 ( 1.046 0.346 0.000) 1.102 13.454 ( -0.958 -3.283 0.000) 3.420 13.552 ( 0.022 3.143 0.000) 3.143 14.216 ( -11.524 -16.422 0.000) 20.062 14.468 ( 0.084 -1.530 0.000) 1.532 15.130 ( -7.796 -1.390 0.000) 7.919 16.305 ( 35.864 16.708 0.000) 39.564 16.519 ( 0.861 -1.367 0.000) 1.616 16.571 ( -1.192 2.276 0.000) 2.569 ======================= Grid point 14 (10/105) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -19.005 10.008 0.000) 21.479 1.501 ( -4.765 20.834 0.000) 21.372 1.703 ( -3.674 26.303 0.000) 26.558 1.983 ( 5.021 3.602 0.000) 6.179 2.255 ( 3.048 6.972 0.000) 7.609 2.402 ( 13.946 -6.766 0.000) 15.501 2.762 ( -10.882 3.547 0.000) 11.445 2.831 ( -3.679 8.964 0.000) 9.689 2.999 ( 2.014 0.135 0.000) 2.019 3.291 ( -27.454 -12.253 0.000) 30.065 3.496 ( 2.820 9.033 0.000) 9.463 3.598 ( -6.346 -2.691 0.000) 6.893 3.800 ( 5.666 -16.308 0.000) 17.264 3.870 ( -1.847 1.288 0.000) 2.252 3.963 ( -3.583 -17.924 0.000) 18.278 4.485 ( 4.323 8.427 0.000) 9.471 5.103 ( -10.928 4.441 0.000) 11.796 5.180 ( -9.737 -4.519 0.000) 10.734 5.239 ( 18.097 6.200 0.000) 19.130 5.682 ( -16.010 8.013 0.000) 17.903 5.929 ( 23.191 2.860 0.000) 23.367 6.089 ( -4.831 -5.961 0.000) 7.673 6.199 ( 4.167 -2.901 0.000) 5.077 6.519 ( 4.941 -1.156 0.000) 5.075 6.540 ( -1.898 3.664 0.000) 4.127 6.637 ( -10.381 -12.493 0.000) 16.243 6.904 ( -13.193 10.236 0.000) 16.698 7.148 ( -21.735 -18.267 0.000) 28.392 7.930 ( -2.837 -7.394 0.000) 7.920 8.369 ( 6.074 -2.638 0.000) 6.622 8.505 ( 9.534 2.776 0.000) 9.930 8.911 ( 10.969 6.797 0.000) 12.904 10.167 ( 3.578 2.674 0.000) 4.467 10.167 ( 3.768 -8.015 0.000) 8.857 10.659 ( -11.624 5.109 0.000) 12.697 10.809 ( -5.300 1.783 0.000) 5.592 11.116 ( 0.538 -2.691 0.000) 2.745 11.178 ( -3.141 -13.100 0.000) 13.472 12.943 ( -1.448 0.917 0.000) 1.714 13.028 ( -0.627 1.992 0.000) 2.089 13.522 ( 1.837 -7.487 0.000) 7.709 13.530 ( 0.599 2.031 0.000) 2.118 14.203 ( -10.383 -14.299 0.000) 17.671 14.473 ( -1.095 -0.699 0.000) 1.299 14.978 ( -7.018 6.258 0.000) 9.403 16.493 ( -0.644 -1.816 0.000) 1.926 16.516 ( -1.945 2.708 0.000) 3.334 16.762 ( 40.644 21.915 0.000) 46.176 ======================= Grid point 15 (11/105) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -29.559 13.306 0.000) 32.415 1.148 ( -4.171 28.908 0.000) 29.207 1.365 ( -2.223 26.365 0.000) 26.459 1.758 ( -7.371 40.982 0.000) 41.639 2.099 ( -4.101 0.971 0.000) 4.214 2.604 ( -13.252 -9.416 0.000) 16.256 2.659 ( 8.186 -5.370 0.000) 9.790 2.765 ( -0.801 0.088 0.000) 0.806 3.019 ( 2.061 1.880 0.000) 2.789 3.225 ( 4.008 -8.727 0.000) 9.604 3.400 ( -0.770 9.722 0.000) 9.752 3.567 ( -9.053 -9.490 0.000) 13.115 3.864 ( 8.038 7.146 0.000) 10.755 4.045 ( 3.226 -14.260 0.000) 14.620 4.111 ( -3.675 -19.788 0.000) 20.126 4.550 ( 18.212 10.767 0.000) 21.157 4.905 ( -5.853 4.765 0.000) 7.548 5.101 ( -5.401 -4.911 0.000) 7.300 5.350 ( -11.869 8.354 0.000) 14.514 5.449 ( 15.741 6.357 0.000) 16.976 6.040 ( -7.575 -2.745 0.000) 8.057 6.163 ( 6.171 -2.972 0.000) 6.849 6.330 ( 9.622 2.404 0.000) 9.917 6.382 ( -53.191 -26.317 0.000) 59.346 6.479 ( -1.118 3.107 0.000) 3.302 6.597 ( -9.494 9.432 0.000) 13.383 6.603 ( -1.595 -6.777 0.000) 6.962 7.002 ( -8.462 -6.971 0.000) 10.963 7.988 ( 0.913 -4.304 0.000) 4.400 8.482 ( 3.909 -2.229 0.000) 4.500 8.610 ( 6.395 3.078 0.000) 7.097 9.008 ( 7.199 3.710 0.000) 8.098 10.226 ( 5.805 0.925 0.000) 5.878 10.256 ( -0.771 0.734 0.000) 1.065 10.529 ( -2.848 -6.952 0.000) 7.513 10.712 ( -3.641 1.733 0.000) 4.032 11.150 ( 0.144 -2.419 0.000) 2.423 11.205 ( -10.993 -11.857 0.000) 16.169 12.908 ( -0.863 1.810 0.000) 2.005 12.991 ( -0.842 2.032 0.000) 2.200 13.521 ( 0.387 1.271 0.000) 1.329 13.665 ( 3.615 -9.625 0.000) 10.281 14.191 ( -8.429 -12.075 0.000) 14.727 14.452 ( -1.547 0.064 0.000) 1.548 14.781 ( -4.285 11.645 0.000) 12.408 16.455 ( -1.525 2.768 0.000) 3.160 16.491 ( -1.513 -2.001 0.000) 2.509 17.237 ( 45.027 19.902 0.000) 49.229 ======================= Grid point 16 (12/105) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 18.357 0.000) 18.357 0.761 ( 0.000 33.431 0.000) 33.431 1.067 ( 0.000 23.490 0.000) 23.490 1.147 ( 0.000 51.272 0.000) 51.272 2.063 ( 0.000 0.534 0.000) 0.534 2.546 ( -0.000 -6.337 0.000) 6.337 2.763 ( 0.000 0.114 0.000) 0.114 2.769 ( -0.000 -3.478 0.000) 3.478 3.024 ( 0.000 1.905 0.000) 1.905 3.291 ( 0.000 7.699 0.000) 7.699 3.469 ( -0.000 -7.626 0.000) 7.626 3.484 ( -0.000 -7.925 0.000) 7.925 3.933 ( 0.000 2.758 0.000) 2.758 4.206 ( -0.000 -10.236 0.000) 10.236 4.283 ( -0.000 -17.325 0.000) 17.325 4.712 ( 0.000 3.384 0.000) 3.384 5.077 ( -0.000 -0.858 0.000) 0.858 5.113 ( -0.000 -4.703 0.000) 4.703 5.304 ( 0.000 4.837 0.000) 4.837 5.346 ( 0.000 4.529 0.000) 4.529 5.570 ( 0.000 3.343 0.000) 3.343 5.921 ( 0.000 4.184 0.000) 4.184 6.246 ( -0.000 -3.636 0.000) 3.636 6.388 ( 0.000 3.665 0.000) 3.665 6.433 ( 0.000 4.316 0.000) 4.316 6.441 ( 0.000 3.014 0.000) 3.014 6.636 ( -0.000 -2.714 0.000) 2.714 7.008 ( -0.000 -3.285 0.000) 3.285 8.034 ( -0.000 -2.545 0.000) 2.545 8.537 ( -0.000 -1.692 0.000) 1.692 8.633 ( 0.000 2.587 0.000) 2.587 9.041 ( 0.000 2.010 0.000) 2.010 10.199 ( 0.000 3.198 0.000) 3.198 10.307 ( -0.000 -1.797 0.000) 1.797 10.627 ( -0.000 -9.118 0.000) 9.118 10.664 ( 0.000 1.179 0.000) 1.179 11.125 ( -0.000 -2.420 0.000) 2.420 11.174 ( -0.000 -1.745 0.000) 1.745 12.880 ( 0.000 1.708 0.000) 1.708 12.963 ( 0.000 1.571 0.000) 1.571 13.511 ( 0.000 1.025 0.000) 1.025 13.821 ( -0.000 -10.667 0.000) 10.667 14.218 ( -0.000 -8.188 0.000) 8.188 14.434 ( 0.000 0.304 0.000) 0.304 14.607 ( 0.000 12.608 0.000) 12.608 16.414 ( 0.000 2.249 0.000) 2.249 16.496 ( -0.000 -1.461 0.000) 1.461 17.659 ( 0.000 0.736 0.000) 0.736 ======================= Grid point 19 (13/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 12.533 0.000 0.000) 12.533 1.269 ( 18.614 0.000 0.000) 18.614 1.377 ( 19.254 0.000 0.000) 19.254 2.234 ( 3.506 0.000 0.000) 3.506 2.595 ( 0.369 0.000 0.000) 0.369 2.674 ( 14.361 0.000 0.000) 14.361 2.902 ( -1.085 -0.000 0.000) 1.085 2.920 ( -4.666 -0.000 0.000) 4.666 3.038 ( -7.262 -0.000 0.000) 7.262 3.117 ( 8.468 0.000 0.000) 8.468 3.292 ( 15.217 0.000 0.000) 15.217 3.759 ( -7.563 -0.000 0.000) 7.563 3.934 ( -8.848 -0.000 0.000) 8.848 4.048 ( -26.141 -0.000 0.000) 26.141 4.612 ( -43.171 -0.000 0.000) 43.171 4.679 ( -1.935 -0.000 0.000) 1.935 4.720 ( 20.277 0.000 0.000) 20.277 4.920 ( 42.629 0.000 0.000) 42.629 5.213 ( 2.963 0.000 0.000) 2.963 5.490 ( -1.462 -0.000 0.000) 1.462 5.910 ( 7.209 0.000 0.000) 7.209 6.215 ( -9.840 -0.000 0.000) 9.840 6.260 ( -3.844 -0.000 0.000) 3.844 6.398 ( -0.830 -0.000 0.000) 0.830 6.565 ( 5.207 0.000 0.000) 5.207 6.767 ( -5.089 -0.000 0.000) 5.089 6.918 ( 8.659 0.000 0.000) 8.659 7.625 ( -12.392 -0.000 0.000) 12.392 8.124 ( -22.847 -0.000 0.000) 22.847 8.153 ( -1.298 -0.000 0.000) 1.298 8.339 ( 1.872 0.000 0.000) 1.872 8.986 ( 5.329 0.000 0.000) 5.329 9.863 ( -0.917 -0.000 0.000) 0.917 10.351 ( -5.978 -0.000 0.000) 5.978 10.652 ( 8.516 0.000 0.000) 8.516 10.923 ( 4.118 0.000 0.000) 4.118 11.107 ( -3.998 -0.000 0.000) 3.998 11.711 ( -26.441 -0.000 0.000) 26.441 12.954 ( 2.550 0.000 0.000) 2.550 12.976 ( -0.631 -0.000 0.000) 0.631 13.647 ( -2.424 -0.000 0.000) 2.424 13.695 ( -10.644 -0.000 0.000) 10.644 13.740 ( -2.217 -0.000 0.000) 2.217 14.415 ( 0.813 0.000 0.000) 0.813 15.098 ( 3.121 0.000 0.000) 3.121 15.991 ( 36.819 0.000 0.000) 36.819 16.475 ( -0.284 -0.000 0.000) 0.284 16.620 ( 0.219 0.000 0.000) 0.219 ======================= Grid point 20 (14/105) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 12.152 -4.718 0.000) 13.036 1.590 ( 14.304 -5.851 0.000) 15.454 1.670 ( 11.337 -5.063 0.000) 12.416 2.279 ( 8.040 7.504 0.000) 10.998 2.577 ( 4.408 10.885 0.000) 11.743 2.587 ( -3.269 22.090 0.000) 22.330 2.890 ( 4.636 -2.794 0.000) 5.412 2.920 ( -5.804 0.896 0.000) 5.873 3.134 ( 4.158 -18.510 0.000) 18.972 3.217 ( -1.086 -0.355 0.000) 1.142 3.531 ( 14.268 1.993 0.000) 14.406 3.591 ( -23.926 3.352 0.000) 24.159 3.656 ( -8.429 -5.340 0.000) 9.978 3.830 ( -8.839 -4.423 0.000) 9.884 3.944 ( -33.406 0.161 0.000) 33.407 4.635 ( -1.750 1.869 0.000) 2.561 5.046 ( 20.135 1.375 0.000) 20.182 5.201 ( -5.727 -1.910 0.000) 6.037 5.390 ( -9.028 1.541 0.000) 9.159 5.562 ( 35.807 2.127 0.000) 35.870 5.978 ( -0.235 -2.467 0.000) 2.479 6.089 ( -5.216 -1.553 0.000) 5.442 6.114 ( -11.801 2.766 0.000) 12.120 6.349 ( -7.933 -3.801 0.000) 8.797 6.657 ( 7.474 3.708 0.000) 8.343 6.685 ( -3.701 1.558 0.000) 4.015 6.999 ( -3.953 -5.036 0.000) 6.402 7.384 ( -13.919 3.947 0.000) 14.468 7.816 ( -14.282 -4.054 0.000) 14.846 8.196 ( 4.908 -1.380 0.000) 5.099 8.418 ( 7.985 0.866 0.000) 8.032 9.040 ( 6.912 6.928 0.000) 9.786 9.887 ( 0.885 -4.299 0.000) 4.389 10.256 ( -3.267 2.338 0.000) 4.017 10.793 ( 5.306 -3.331 0.000) 6.265 10.978 ( 1.841 -0.255 0.000) 1.859 11.028 ( -5.129 0.013 0.000) 5.129 11.245 ( -22.648 6.527 0.000) 23.570 12.966 ( -0.618 -0.180 0.000) 0.643 13.013 ( 2.558 -2.043 0.000) 3.274 13.480 ( -5.165 5.787 0.000) 7.757 13.607 ( -1.311 1.480 0.000) 1.977 13.814 ( -7.307 -16.513 0.000) 18.058 14.437 ( 0.885 -0.925 0.000) 1.280 15.135 ( 1.091 0.696 0.000) 1.294 16.460 ( 0.313 0.083 0.000) 0.323 16.573 ( 34.879 4.313 0.000) 35.144 16.607 ( -1.119 0.900 0.000) 1.436 ======================= Grid point 21 (15/105) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -4.228 4.045 0.000) 5.851 1.783 ( 5.583 3.760 0.000) 6.731 1.862 ( 6.339 -7.987 0.000) 10.197 2.273 ( -2.342 24.326 0.000) 24.439 2.384 ( 14.031 6.626 0.000) 15.517 2.500 ( 0.215 10.894 0.000) 10.897 2.814 ( -5.147 2.564 0.000) 5.750 2.971 ( 1.798 -3.016 0.000) 3.511 3.014 ( -25.247 -12.014 0.000) 27.960 3.249 ( -1.777 21.746 0.000) 21.819 3.413 ( 4.765 -18.128 0.000) 18.744 3.495 ( -18.906 -4.060 0.000) 19.337 3.596 ( -8.759 -8.984 0.000) 12.547 3.696 ( 8.887 2.969 0.000) 9.369 3.879 ( 4.285 -2.397 0.000) 4.909 4.607 ( 2.661 2.908 0.000) 3.942 5.084 ( -10.669 -3.739 0.000) 11.306 5.185 ( -11.962 2.889 0.000) 12.306 5.341 ( 18.344 3.119 0.000) 18.607 5.836 ( -15.593 5.499 0.000) 16.535 5.972 ( 0.247 -2.707 0.000) 2.718 5.989 ( 9.667 1.083 0.000) 9.727 6.133 ( 11.695 -2.977 0.000) 12.068 6.199 ( -23.957 -15.313 0.000) 28.432 6.613 ( -2.381 2.592 0.000) 3.520 6.699 ( 4.446 7.267 0.000) 8.519 6.920 ( -9.145 -5.483 0.000) 10.662 7.095 ( -13.807 6.593 0.000) 15.300 7.772 ( -0.455 -6.643 0.000) 6.659 8.316 ( 6.564 -1.990 0.000) 6.859 8.559 ( 10.016 1.833 0.000) 10.183 9.080 ( 7.805 7.733 0.000) 10.987 9.985 ( 3.066 -7.721 0.000) 8.307 10.206 ( -0.394 1.096 0.000) 1.165 10.801 ( -16.264 7.075 0.000) 17.737 10.842 ( -2.398 1.034 0.000) 2.612 10.988 ( -1.623 -5.188 0.000) 5.436 11.053 ( -0.535 -2.967 0.000) 3.015 12.959 ( -0.093 0.516 0.000) 0.525 13.057 ( 0.967 0.221 0.000) 0.992 13.403 ( -1.719 -2.406 0.000) 2.957 13.575 ( -0.369 1.752 0.000) 1.790 13.859 ( -7.933 -15.072 0.000) 17.032 14.455 ( 0.032 -0.711 0.000) 0.712 15.110 ( -0.522 4.828 0.000) 4.856 16.451 ( -1.592 -1.560 0.000) 2.229 16.568 ( -1.726 1.789 0.000) 2.486 17.071 ( 33.100 7.977 0.000) 34.048 ======================= Grid point 22 (16/105) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -22.937 14.932 0.000) 27.369 1.692 ( 0.320 19.131 0.000) 19.134 1.959 ( -1.174 26.912 0.000) 26.938 2.023 ( 3.034 -4.451 0.000) 5.387 2.364 ( -10.381 -5.788 0.000) 11.885 2.585 ( 11.483 -0.350 0.000) 11.488 2.662 ( -5.418 20.951 0.000) 21.640 2.809 ( -0.400 7.847 0.000) 7.857 3.024 ( 1.531 -1.689 0.000) 2.280 3.091 ( 3.626 2.037 0.000) 4.159 3.347 ( -11.126 -9.892 0.000) 14.887 3.553 ( -5.714 -4.337 0.000) 7.173 3.674 ( 3.651 -16.343 0.000) 16.746 3.771 ( 0.593 -4.715 0.000) 4.753 3.980 ( 7.526 3.529 0.000) 8.312 4.697 ( 12.848 2.946 0.000) 13.181 4.981 ( -7.343 2.264 0.000) 7.684 4.983 ( -6.787 -5.477 0.000) 8.721 5.521 ( -14.086 5.449 0.000) 15.103 5.567 ( 13.521 4.286 0.000) 14.184 5.874 ( -38.155 -18.293 0.000) 42.314 5.958 ( -3.932 -4.065 0.000) 5.655 6.084 ( 2.094 -3.824 0.000) 4.360 6.383 ( 12.804 2.059 0.000) 12.968 6.549 ( -1.710 2.976 0.000) 3.432 6.662 ( 2.102 7.385 0.000) 7.679 6.806 ( -10.234 8.602 0.000) 13.369 6.885 ( -2.215 -4.379 0.000) 4.907 7.867 ( 1.703 -6.523 0.000) 6.742 8.431 ( 4.161 -2.182 0.000) 4.699 8.677 ( 6.714 2.760 0.000) 7.259 9.119 ( 5.751 6.192 0.000) 8.451 10.152 ( 5.263 -9.700 0.000) 11.036 10.216 ( 1.428 -1.099 0.000) 1.802 10.501 ( -11.943 4.407 0.000) 12.730 10.760 ( -3.326 2.602 0.000) 4.223 11.029 ( -2.150 -5.931 0.000) 6.309 11.086 ( -0.033 -3.268 0.000) 3.268 12.948 ( 0.071 1.642 0.000) 1.643 13.041 ( -0.544 2.368 0.000) 2.430 13.465 ( 1.345 -8.037 0.000) 8.149 13.556 ( 0.097 1.583 0.000) 1.586 13.896 ( -6.211 -13.700 0.000) 15.042 14.453 ( -0.644 0.019 0.000) 0.644 15.018 ( -1.018 9.204 0.000) 9.260 16.446 ( -1.199 -1.911 0.000) 2.256 16.517 ( -1.326 2.576 0.000) 2.897 17.476 ( 24.508 5.650 0.000) 25.151 ======================= Grid point 23 (17/105) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 18.994 0.000) 18.994 1.431 ( 0.000 26.869 0.000) 26.869 1.648 ( 0.000 27.793 0.000) 27.793 2.066 ( -0.000 -0.797 0.000) 0.797 2.212 ( 0.000 44.606 0.000) 44.606 2.360 ( -0.000 -9.997 0.000) 9.997 2.698 ( -0.000 -2.156 0.000) 2.156 2.775 ( 0.000 1.533 0.000) 1.533 3.050 ( -0.000 -0.025 0.000) 0.025 3.268 ( -0.000 -9.735 0.000) 9.735 3.289 ( -0.000 -8.686 0.000) 8.686 3.489 ( 0.000 7.420 0.000) 7.420 3.863 ( -0.000 -16.813 0.000) 16.813 3.905 ( -0.000 -16.553 0.000) 16.553 4.012 ( 0.000 4.199 0.000) 4.199 4.796 ( 0.000 3.838 0.000) 3.838 4.992 ( -0.000 -6.053 0.000) 6.053 5.055 ( -0.000 -1.099 0.000) 1.099 5.330 ( -0.000 -4.920 0.000) 4.920 5.465 ( 0.000 5.708 0.000) 5.708 5.654 ( 0.000 3.910 0.000) 3.910 5.944 ( -0.000 -1.778 0.000) 1.778 6.152 ( -0.000 -4.779 0.000) 4.779 6.472 ( 0.000 3.624 0.000) 3.624 6.491 ( 0.000 2.570 0.000) 2.570 6.613 ( 0.000 9.508 0.000) 9.508 6.623 ( 0.000 3.076 0.000) 3.076 6.918 ( -0.000 -4.439 0.000) 4.439 7.947 ( -0.000 -5.359 0.000) 5.359 8.490 ( -0.000 -2.282 0.000) 2.282 8.701 ( 0.000 3.280 0.000) 3.280 9.112 ( 0.000 4.530 0.000) 4.530 10.257 ( -0.000 -2.568 0.000) 2.568 10.304 ( 0.000 6.209 0.000) 6.209 10.368 ( -0.000 -13.556 0.000) 13.556 10.703 ( 0.000 2.304 0.000) 2.304 11.053 ( -0.000 -3.928 0.000) 3.928 11.121 ( -0.000 -3.019 0.000) 3.019 12.926 ( 0.000 2.238 0.000) 2.238 13.008 ( 0.000 2.382 0.000) 2.382 13.540 ( 0.000 1.488 0.000) 1.488 13.585 ( -0.000 -10.244 0.000) 10.244 13.980 ( -0.000 -12.586 0.000) 12.586 14.442 ( 0.000 0.426 0.000) 0.426 14.888 ( 0.000 12.048 0.000) 12.048 16.457 ( -0.000 -1.972 0.000) 1.972 16.474 ( 0.000 2.969 0.000) 2.969 17.679 ( 0.000 0.973 0.000) 0.973 ======================= Grid point 28 (18/105) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 11.249 0.000 0.000) 11.249 1.755 ( 1.841 0.000 0.000) 1.841 1.791 ( 12.436 0.000 0.000) 12.436 2.482 ( 11.034 0.000 0.000) 11.034 2.721 ( 3.562 0.000 0.000) 3.562 2.729 ( -1.735 -0.000 0.000) 1.735 2.736 ( -41.763 -0.000 0.000) 41.763 2.840 ( -0.675 -0.000 0.000) 0.675 2.890 ( 2.387 0.000 0.000) 2.387 3.130 ( 7.086 0.000 0.000) 7.086 3.396 ( -18.125 -0.000 0.000) 18.125 3.469 ( -10.216 -0.000 0.000) 10.216 3.705 ( 9.112 0.000 0.000) 9.112 3.708 ( -4.039 -0.000 0.000) 4.039 3.757 ( 11.015 0.000 0.000) 11.015 4.634 ( 0.727 0.000 0.000) 0.727 5.039 ( -11.190 -0.000 0.000) 11.190 5.220 ( -12.128 -0.000 0.000) 12.128 5.375 ( 18.511 0.000 0.000) 18.511 5.910 ( -14.120 -0.000 0.000) 14.120 5.929 ( -3.273 -0.000 0.000) 3.273 6.005 ( -30.273 -0.000 0.000) 30.273 6.022 ( -1.832 -0.000 0.000) 1.832 6.088 ( 25.868 0.000 0.000) 25.868 6.643 ( -2.599 -0.000 0.000) 2.599 6.799 ( 6.133 0.000 0.000) 6.133 6.862 ( -6.558 -0.000 0.000) 6.558 7.170 ( -14.174 -0.000 0.000) 14.174 7.686 ( -0.478 -0.000 0.000) 0.478 8.292 ( 6.880 0.000 0.000) 6.880 8.579 ( 10.150 0.000 0.000) 10.150 9.183 ( 6.311 0.000 0.000) 6.311 9.885 ( 1.872 0.000 0.000) 1.872 10.218 ( -2.261 -0.000 0.000) 2.261 10.852 ( 3.322 0.000 0.000) 3.322 10.908 ( -20.192 -0.000 0.000) 20.192 10.934 ( -5.758 -0.000 0.000) 5.758 11.001 ( 0.779 0.000 0.000) 0.779 12.965 ( 0.479 0.000 0.000) 0.479 13.049 ( 2.952 0.000 0.000) 2.952 13.406 ( -6.551 -0.000 0.000) 6.551 13.596 ( -0.872 -0.000 0.000) 0.872 13.655 ( -2.662 -0.000 0.000) 2.662 14.447 ( 0.662 0.000 0.000) 0.662 15.165 ( 1.188 0.000 0.000) 1.188 16.433 ( -1.596 -0.000 0.000) 1.596 16.588 ( -1.634 -0.000 0.000) 1.634 17.154 ( 30.294 0.000 0.000) 30.294 ======================= Grid point 30 (19/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -12.990 14.564 0.000) 19.516 1.864 ( -0.263 -10.071 0.000) 10.074 1.937 ( 6.351 4.100 0.000) 7.559 2.218 ( -15.494 -4.624 0.000) 16.169 2.504 ( -0.154 21.042 0.000) 21.042 2.665 ( 9.965 5.760 0.000) 11.509 2.754 ( 0.161 -0.305 0.000) 0.345 2.924 ( 0.221 -7.944 0.000) 7.947 2.946 ( 4.783 3.110 0.000) 5.706 3.154 ( -12.898 -6.579 0.000) 14.479 3.303 ( 3.459 -13.717 0.000) 14.146 3.339 ( -9.273 -6.900 0.000) 11.559 3.533 ( 1.339 21.673 0.000) 21.714 3.871 ( 5.373 4.534 0.000) 7.030 3.998 ( 14.617 -2.435 0.000) 14.818 4.693 ( 7.063 -2.190 0.000) 7.395 4.884 ( -8.118 -2.824 0.000) 8.595 5.015 ( -10.801 0.943 0.000) 10.842 5.461 ( -36.151 -7.433 0.000) 36.907 5.633 ( 12.953 1.624 0.000) 13.055 5.698 ( -11.216 0.456 0.000) 11.226 5.887 ( -2.791 -1.917 0.000) 3.386 6.017 ( -0.028 -1.800 0.000) 1.800 6.413 ( 13.941 0.664 0.000) 13.957 6.597 ( -2.226 1.194 0.000) 2.526 6.800 ( -1.688 0.092 0.000) 1.691 6.848 ( 2.669 3.930 0.000) 4.750 6.942 ( -10.402 3.335 0.000) 10.924 7.733 ( 1.864 -4.343 0.000) 4.726 8.395 ( 4.452 -0.904 0.000) 4.543 8.721 ( 6.895 1.053 0.000) 6.975 9.250 ( 4.755 4.462 0.000) 6.521 9.952 ( 2.118 -6.294 0.000) 6.641 10.196 ( -0.650 -0.584 0.000) 0.873 10.616 ( -11.785 4.051 0.000) 12.462 10.824 ( -2.869 3.197 0.000) 4.295 10.919 ( -0.137 -4.165 0.000) 4.167 11.019 ( -0.086 -2.246 0.000) 2.247 12.974 ( 0.739 0.636 0.000) 0.975 13.084 ( 1.272 1.251 0.000) 1.784 13.338 ( -2.267 -3.007 0.000) 3.766 13.582 ( -0.326 0.682 0.000) 0.756 13.655 ( -2.669 -6.715 0.000) 7.226 14.453 ( 0.061 0.009 0.000) 0.062 15.160 ( 0.385 3.452 0.000) 3.473 16.415 ( -0.974 -0.766 0.000) 1.239 16.558 ( -1.180 1.022 0.000) 1.561 17.548 ( 18.250 1.455 0.000) 18.308 ======================= Grid point 31 (20/105) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 18.615 0.000) 18.615 1.886 ( 0.000 13.522 0.000) 13.522 1.962 ( -0.000 -10.576 0.000) 10.576 2.183 ( -0.000 -4.008 0.000) 4.008 2.239 ( 0.000 25.432 0.000) 25.432 2.713 ( 0.000 3.973 0.000) 3.973 2.738 ( 0.000 2.669 0.000) 2.669 3.000 ( -0.000 -5.046 0.000) 5.046 3.004 ( 0.000 5.346 0.000) 5.346 3.083 ( -0.000 -6.378 0.000) 6.378 3.284 ( 0.000 21.773 0.000) 21.773 3.357 ( -0.000 -12.578 0.000) 12.578 3.514 ( -0.000 -18.089 0.000) 18.089 3.838 ( 0.000 7.998 0.000) 7.998 4.110 ( 0.000 4.907 0.000) 4.907 4.862 ( -0.000 -5.317 0.000) 5.317 4.866 ( 0.000 2.322 0.000) 2.322 5.034 ( -0.000 -0.758 0.000) 0.758 5.061 ( -0.000 -18.090 0.000) 18.090 5.572 ( 0.000 3.701 0.000) 3.701 5.727 ( 0.000 2.598 0.000) 2.598 5.885 ( -0.000 -2.661 0.000) 2.661 6.052 ( -0.000 -3.903 0.000) 3.903 6.535 ( 0.000 2.025 0.000) 2.025 6.540 ( 0.000 1.701 0.000) 1.701 6.761 ( 0.000 6.538 0.000) 6.538 6.795 ( 0.000 6.243 0.000) 6.243 6.841 ( -0.000 -1.124 0.000) 1.124 7.811 ( -0.000 -6.380 0.000) 6.380 8.446 ( -0.000 -1.550 0.000) 1.550 8.763 ( 0.000 2.084 0.000) 2.084 9.233 ( 0.000 5.992 0.000) 5.992 10.079 ( -0.000 -11.699 0.000) 11.699 10.206 ( -0.000 -1.820 0.000) 1.820 10.453 ( 0.000 6.573 0.000) 6.573 10.763 ( 0.000 3.118 0.000) 3.118 10.962 ( -0.000 -4.187 0.000) 4.187 11.049 ( -0.000 -3.229 0.000) 3.229 12.969 ( 0.000 1.473 0.000) 1.473 13.066 ( 0.000 2.808 0.000) 2.808 13.388 ( -0.000 -7.405 0.000) 7.405 13.570 ( 0.000 1.078 0.000) 1.078 13.719 ( -0.000 -9.918 0.000) 9.918 14.451 ( 0.000 0.298 0.000) 0.298 15.104 ( 0.000 7.111 0.000) 7.111 16.419 ( -0.000 -1.334 0.000) 1.334 16.531 ( 0.000 1.981 0.000) 1.981 17.697 ( 0.000 0.647 0.000) 0.647 ======================= Grid point 39 (21/105) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 0.000 0.000) 0.000 1.709 ( -0.000 -0.000 0.000) 0.000 2.024 ( -0.000 -0.000 0.000) 0.000 2.151 ( -0.000 -0.000 0.000) 0.000 2.700 ( -0.000 -0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.760 ( -0.000 -0.000 0.000) 0.000 2.889 ( -0.000 -0.000 0.000) 0.000 2.986 ( -0.000 -0.000 0.000) 0.000 3.011 ( -0.000 -0.000 0.000) 0.000 3.205 ( -0.000 -0.000 0.000) 0.000 3.248 ( -0.000 -0.000 0.000) 0.000 3.664 ( -0.000 -0.000 0.000) 0.000 3.945 ( -0.000 -0.000 0.000) 0.000 4.214 ( -0.000 -0.000 0.000) 0.000 4.749 ( -0.000 -0.000 0.000) 0.000 4.795 ( -0.000 -0.000 0.000) 0.000 4.892 ( -0.000 -0.000 0.000) 0.000 5.025 ( -0.000 -0.000 0.000) 0.000 5.614 ( -0.000 -0.000 0.000) 0.000 5.758 ( -0.000 -0.000 0.000) 0.000 5.853 ( -0.000 -0.000 0.000) 0.000 6.005 ( -0.000 -0.000 0.000) 0.000 6.557 ( -0.000 -0.000 0.000) 0.000 6.559 ( -0.000 -0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.866 ( -0.000 -0.000 0.000) 0.000 6.901 ( -0.000 -0.000 0.000) 0.000 7.725 ( -0.000 -0.000 0.000) 0.000 8.429 ( -0.000 -0.000 0.000) 0.000 8.786 ( -0.000 -0.000 0.000) 0.000 9.318 ( -0.000 -0.000 0.000) 0.000 9.930 ( -0.000 -0.000 0.000) 0.000 10.185 ( -0.000 -0.000 0.000) 0.000 10.538 ( -0.000 -0.000 0.000) 0.000 10.816 ( -0.000 -0.000 0.000) 0.000 10.896 ( -0.000 -0.000 0.000) 0.000 11.005 ( -0.000 -0.000 0.000) 0.000 12.986 ( -0.000 -0.000 0.000) 0.000 13.109 ( -0.000 -0.000 0.000) 0.000 13.293 ( -0.000 -0.000 0.000) 0.000 13.583 ( -0.000 -0.000 0.000) 0.000 13.601 ( -0.000 -0.000 0.000) 0.000 14.454 ( -0.000 -0.000 0.000) 0.000 15.184 ( -0.000 -0.000 0.000) 0.000 16.403 ( -0.000 -0.000 0.000) 0.000 16.554 ( -0.000 -0.000 0.000) 0.000 17.705 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 0.000 20.466) 20.466 0.696 ( 0.000 0.000 33.549) 33.549 0.856 ( 0.000 0.000 41.049) 41.049 1.045 ( 0.000 0.000 23.551) 23.551 2.255 ( 0.000 0.000 18.468) 18.468 2.563 ( 0.000 0.000 -5.276) 5.276 2.789 ( 0.000 0.000 2.618) 2.618 2.834 ( 0.000 0.000 1.736) 1.736 3.283 ( 0.000 0.000 7.557) 7.557 3.388 ( 0.000 0.000 -0.683) 0.683 3.452 ( 0.000 0.000 -2.944) 2.944 3.630 ( 0.000 0.000 4.280) 4.280 3.632 ( 0.000 0.000 7.018) 7.018 4.227 ( 0.000 0.000 -6.466) 6.466 4.494 ( 0.000 0.000 -0.163) 0.163 4.678 ( 0.000 0.000 0.585) 0.585 5.101 ( 0.000 0.000 1.389) 1.389 5.136 ( 0.000 0.000 -3.244) 3.244 5.294 ( 0.000 0.000 0.952) 0.952 5.316 ( 0.000 0.000 1.743) 1.743 5.522 ( 0.000 0.000 -0.630) 0.630 5.804 ( 0.000 0.000 -3.868) 3.868 6.325 ( 0.000 0.000 -5.685) 5.685 6.334 ( 0.000 0.000 -2.248) 2.248 6.341 ( 0.000 0.000 1.464) 1.464 6.398 ( 0.000 0.000 -1.616) 1.616 6.581 ( 0.000 0.000 -2.718) 2.718 7.031 ( 0.000 0.000 -1.470) 1.470 8.036 ( 0.000 0.000 -2.442) 2.442 8.585 ( 0.000 0.000 0.164) 0.164 8.672 ( 0.000 0.000 4.028) 4.028 9.017 ( 0.000 0.000 -0.266) 0.266 9.975 ( 0.000 0.000 -0.714) 0.714 10.005 ( 0.000 0.000 -12.376) 12.376 10.767 ( 0.000 0.000 8.250) 8.250 11.053 ( 0.000 0.000 -10.579) 10.579 11.144 ( 0.000 0.000 -0.657) 0.657 11.207 ( 0.000 0.000 1.103) 1.103 12.933 ( 0.000 0.000 6.877) 6.877 12.952 ( 0.000 0.000 0.746) 0.746 13.516 ( 0.000 0.000 1.591) 1.591 13.763 ( 0.000 0.000 -4.852) 4.852 14.275 ( 0.000 0.000 -3.432) 3.432 14.445 ( 0.000 0.000 1.429) 1.429 14.486 ( 0.000 0.000 5.155) 5.155 16.382 ( 0.000 0.000 -0.547) 0.547 16.510 ( 0.000 0.000 -0.284) 0.284 17.516 ( 0.000 0.000 -1.946) 1.946 ======================= Grid point 70 (23/105) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 10.183 3.543 23.038) 25.436 0.887 ( 27.338 -9.140 15.514) 32.735 1.127 ( 2.307 -11.142 20.989) 23.875 1.309 ( 21.899 -26.821 26.426) 43.558 2.277 ( 2.547 0.122 17.741) 17.923 2.665 ( 5.490 2.734 -5.988) 8.571 2.824 ( 3.939 3.093 2.158) 5.453 2.849 ( 7.041 2.718 0.640) 7.574 3.130 ( -8.883 7.916 8.653) 14.712 3.302 ( -3.238 0.395 3.586) 4.848 3.365 ( -3.650 -1.110 -0.094) 3.817 3.570 ( -10.247 -9.648 3.289) 14.453 3.789 ( 13.434 5.024 2.064) 14.490 4.202 ( -9.492 -12.153 -4.206) 15.984 4.429 ( -18.295 4.951 11.335) 22.084 4.489 ( 5.183 11.850 -0.059) 12.934 4.794 ( 8.483 -3.161 -0.714) 9.081 5.183 ( 3.735 2.666 -0.418) 4.608 5.226 ( 10.346 -3.525 0.917) 10.969 5.301 ( -17.611 -5.701 -0.421) 18.515 6.036 ( 15.663 0.097 -2.875) 15.925 6.212 ( -11.948 0.821 0.898) 12.010 6.260 ( -0.968 -1.129 -3.694) 3.982 6.375 ( 4.613 -2.401 -5.089) 7.276 6.414 ( 1.373 -1.097 -2.340) 2.926 6.560 ( -2.315 -0.404 -1.537) 2.808 6.852 ( 32.339 15.667 -25.806) 44.241 7.168 ( 49.822 16.125 -25.916) 58.428 7.969 ( -3.417 5.859 -2.643) 7.280 8.544 ( -6.224 -2.238 0.248) 6.619 8.634 ( -2.810 2.363 4.624) 5.904 8.957 ( -8.041 -1.555 0.021) 8.190 10.022 ( -2.641 -9.043 -3.289) 9.978 10.071 ( 6.324 -1.596 -11.832) 13.511 10.719 ( -13.249 5.322 0.003) 14.278 10.797 ( 2.842 -0.603 7.771) 8.297 11.186 ( -0.024 0.865 -0.151) 0.878 11.486 ( 22.921 18.251 -17.307) 34.029 12.929 ( -0.222 -0.999 3.923) 4.054 12.982 ( 2.176 -0.771 3.483) 4.178 13.528 ( 0.833 0.746 1.106) 1.573 13.831 ( -1.913 -7.703 -4.203) 8.981 14.342 ( 9.716 3.679 -5.131) 11.588 14.437 ( 0.488 0.095 0.422) 0.652 14.533 ( 3.034 -5.726 4.111) 7.674 16.402 ( 1.486 -1.144 -0.604) 1.970 16.518 ( 0.776 0.293 -0.302) 0.883 16.825 ( -60.323 -15.632 30.115) 69.211 ======================= Grid point 71 (24/105) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 15.030 -13.176 4.261) 20.437 1.344 ( 4.730 -17.783 16.259) 24.556 1.382 ( 14.353 -18.529 16.789) 28.830 1.913 ( 18.378 -10.108 11.910) 24.120 2.339 ( 5.795 0.073 13.364) 14.567 2.578 ( -6.341 5.660 -0.041) 8.500 2.845 ( -1.806 6.196 2.955) 7.098 2.886 ( 2.709 6.495 5.938) 9.208 2.991 ( -1.733 -3.362 1.987) 4.272 3.301 ( 2.940 -1.066 -1.031) 3.293 3.453 ( 5.654 -3.637 -2.141) 7.055 3.557 ( 10.566 -0.902 2.105) 10.812 3.905 ( 6.507 4.020 0.310) 7.655 4.133 ( -9.687 4.281 1.965) 10.772 4.266 ( 0.285 -2.064 1.135) 2.372 4.373 ( 1.343 14.250 0.476) 14.321 4.969 ( 2.736 -6.022 -2.208) 6.973 5.093 ( -9.642 -7.873 1.487) 12.536 5.271 ( 8.934 3.129 0.288) 9.471 5.525 ( 15.536 -5.596 0.336) 16.517 5.882 ( -26.918 -2.091 1.377) 27.035 6.180 ( 7.029 6.388 -4.461) 10.494 6.237 ( -0.742 2.004 -1.226) 2.464 6.437 ( -0.154 -1.697 -2.538) 3.057 6.506 ( -3.758 -2.440 -0.038) 4.481 6.611 ( 12.065 -8.188 -6.214) 15.850 6.852 ( -1.118 5.680 -3.017) 6.528 7.682 ( 30.476 32.646 -12.608) 46.406 7.858 ( 3.640 3.190 -15.336) 16.081 8.443 ( -8.898 -2.859 0.619) 9.366 8.540 ( -3.805 4.079 4.886) 7.415 8.803 ( -13.652 -3.778 0.431) 14.171 10.052 ( -4.024 -7.062 -1.341) 8.238 10.211 ( 7.086 -0.336 -8.351) 10.958 10.520 ( -5.080 1.823 -4.246) 6.868 10.869 ( 4.257 -1.144 6.170) 7.583 11.167 ( -0.885 1.552 0.154) 1.794 11.481 ( 6.195 21.908 -12.727) 26.083 12.951 ( 1.077 -1.615 2.332) 3.034 13.028 ( 2.021 -0.834 4.491) 4.995 13.526 ( -0.517 -0.442 1.965) 2.079 13.799 ( -3.496 3.219 5.084) 6.959 14.399 ( 3.712 3.868 -0.328) 5.371 14.471 ( 1.320 -0.541 -0.251) 1.449 14.779 ( 16.568 -6.619 -6.793) 19.091 16.191 ( -43.436 -24.057 16.652) 52.371 16.457 ( 1.302 -2.886 -0.058) 3.167 16.545 ( 2.301 2.017 -0.126) 3.062 ======================= Grid point 72 (25/105) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 15.443 -16.178 -2.537) 22.509 1.636 ( 5.238 -20.015 12.213) 24.025 1.793 ( 11.191 -18.008 14.022) 25.420 2.005 ( -4.777 5.632 7.821) 10.757 2.243 ( -7.282 14.276 2.153) 16.170 2.463 ( -5.824 13.728 9.235) 17.540 2.797 ( 4.680 -10.060 2.224) 11.316 2.967 ( 5.650 2.772 1.968) 6.594 3.022 ( 5.016 -1.348 3.387) 6.201 3.320 ( -4.909 -4.861 -1.313) 7.032 3.513 ( -0.221 -7.534 1.074) 7.613 3.882 ( -6.433 11.368 3.470) 13.515 3.943 ( -0.367 -1.369 -1.162) 1.832 4.043 ( 36.135 7.196 -2.484) 36.928 4.140 ( 3.307 11.804 -2.158) 12.447 4.469 ( 10.486 -3.075 2.286) 11.164 4.871 ( -15.085 -6.225 -0.376) 16.323 5.230 ( 8.446 -5.018 0.944) 9.869 5.339 ( -19.377 0.560 0.467) 19.390 5.406 ( -10.828 -0.486 -0.177) 10.840 5.844 ( 12.385 -6.597 -0.852) 14.058 6.177 ( 0.945 6.173 -4.174) 7.512 6.217 ( 3.078 3.895 -0.839) 5.035 6.379 ( -7.289 -1.098 -0.715) 7.406 6.531 ( 1.750 -4.167 -0.463) 4.543 6.723 ( -2.058 5.228 -2.651) 6.213 6.959 ( 11.737 -10.407 -3.236) 16.016 7.538 ( -5.309 14.505 -1.097) 15.485 8.041 ( 19.978 12.243 -13.003) 26.797 8.329 ( -8.407 -2.333 0.982) 8.780 8.446 ( 0.425 6.191 3.525) 7.137 8.611 ( -16.354 -7.149 0.350) 17.852 10.066 ( -2.402 -5.971 0.800) 6.485 10.209 ( -1.556 6.282 0.047) 6.472 10.592 ( 7.886 -7.399 -10.607) 15.148 10.936 ( 1.589 0.498 1.300) 2.112 11.124 ( -1.474 1.598 0.334) 2.199 11.295 ( -1.898 14.952 -5.967) 16.210 12.995 ( 1.803 -1.743 1.881) 3.135 13.055 ( 0.512 0.121 4.037) 4.071 13.535 ( -0.350 -3.219 4.139) 5.255 13.690 ( -2.528 6.466 8.401) 10.899 14.422 ( 3.379 2.356 -0.069) 4.120 14.478 ( -1.600 -1.379 0.592) 2.194 15.138 ( 22.765 1.704 -8.340) 24.304 15.810 ( -33.092 -18.727 3.065) 38.147 16.511 ( 0.937 -2.935 -0.518) 3.124 16.557 ( 1.882 2.595 -0.626) 3.266 ======================= Grid point 73 (26/105) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 4.613 -13.385 -1.244) 14.212 1.732 ( -4.613 13.385 -1.244) 14.212 1.947 ( 5.161 -18.946 8.768) 21.505 1.947 ( -5.161 18.946 8.768) 21.505 2.154 ( 4.874 -17.931 11.063) 21.626 2.154 ( -4.874 17.931 11.063) 21.626 2.939 ( 1.993 -3.787 1.774) 4.633 2.939 ( -1.993 3.787 1.774) 4.633 3.215 ( -11.717 -0.533 -0.320) 11.733 3.215 ( 11.717 0.533 -0.320) 11.733 3.649 ( 5.041 -10.190 3.474) 11.887 3.649 ( -5.041 10.190 3.474) 11.887 3.987 ( 0.203 -6.806 -2.813) 7.367 3.987 ( -0.203 6.806 -2.813) 7.367 4.656 ( -20.843 -2.974 -0.034) 21.054 4.656 ( 20.843 2.974 -0.034) 21.054 4.753 ( -36.807 -3.550 0.376) 36.980 4.753 ( 36.807 3.550 0.376) 36.980 5.380 ( 2.105 -4.537 0.215) 5.006 5.380 ( -2.105 4.537 0.215) 5.006 6.069 ( 5.428 -6.548 -2.862) 8.974 6.069 ( -5.428 6.548 -2.862) 8.974 6.269 ( -7.195 -2.936 -0.090) 7.771 6.269 ( 7.195 2.936 -0.090) 7.771 6.622 ( 2.546 -4.898 -1.021) 5.614 6.622 ( -2.546 4.898 -1.021) 5.614 7.265 ( 9.757 -11.733 -2.645) 15.487 7.265 ( -9.757 11.733 -2.645) 15.487 8.207 ( -11.441 -5.357 -2.722) 12.923 8.207 ( 11.441 5.357 -2.722) 12.923 8.458 ( -11.509 -8.896 1.033) 14.583 8.458 ( 11.509 8.896 1.033) 14.583 10.116 ( 0.301 -6.338 1.487) 6.517 10.116 ( -0.301 6.338 1.487) 6.517 10.826 ( 5.474 -8.320 -8.590) 13.152 10.826 ( -5.474 8.320 -8.590) 13.152 11.149 ( 2.094 -5.092 1.204) 5.636 11.149 ( -2.094 5.092 1.204) 5.636 13.040 ( -1.152 -2.432 2.650) 3.777 13.040 ( 1.152 2.432 2.650) 3.777 13.591 ( 0.928 -5.839 7.098) 9.238 13.591 ( -0.928 5.839 7.098) 9.238 14.455 ( -3.226 -2.349 0.278) 4.000 14.455 ( 3.226 2.349 0.278) 4.000 15.480 ( -26.927 -14.893 -4.825) 31.147 15.480 ( 26.927 14.893 -4.825) 31.147 16.547 ( -0.552 -2.931 -0.662) 3.055 16.547 ( 0.552 2.931 -0.662) 3.055 ======================= Grid point 79 (27/105) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 12.027 0.000 22.925) 25.888 0.972 ( 14.440 0.000 23.035) 27.187 1.128 ( 5.327 0.000 19.211) 19.936 1.814 ( 37.724 0.000 7.191) 38.404 2.319 ( 2.059 0.000 16.522) 16.650 2.683 ( -4.571 -0.000 -3.547) 5.786 2.873 ( 2.238 0.000 -1.401) 2.641 2.941 ( 3.542 0.000 4.796) 5.962 3.158 ( -5.340 -0.000 7.129) 8.907 3.190 ( -8.654 -0.000 0.668) 8.680 3.312 ( 0.451 0.000 5.802) 5.819 3.586 ( 24.443 0.000 -0.628) 24.451 3.977 ( -8.205 -0.000 -3.597) 8.959 4.070 ( 13.808 0.000 -0.385) 13.814 4.287 ( -5.312 -0.000 6.270) 8.218 4.657 ( 4.606 0.000 0.117) 4.607 4.828 ( -17.010 -0.000 -3.607) 17.388 4.988 ( 3.253 0.000 1.908) 3.771 5.306 ( 8.522 0.000 0.398) 8.532 5.461 ( 16.241 0.000 0.262) 16.244 5.857 ( -27.762 -0.000 1.774) 27.819 6.252 ( -0.246 -0.000 -2.803) 2.814 6.294 ( 10.337 0.000 -1.356) 10.425 6.416 ( 3.396 0.000 -4.241) 5.433 6.443 ( 0.847 0.000 -4.549) 4.627 6.514 ( 1.559 0.000 -1.768) 2.358 6.917 ( -3.880 -0.000 -3.461) 5.199 7.882 ( -3.038 -0.000 -9.681) 10.146 8.176 ( 23.277 0.000 -28.483) 36.784 8.393 ( -9.552 -0.000 0.865) 9.591 8.625 ( 1.360 0.000 -2.738) 3.057 8.761 ( -14.368 -0.000 -0.089) 14.368 9.929 ( -2.287 -0.000 -0.298) 2.307 10.202 ( 10.159 0.000 -11.011) 14.982 10.545 ( -10.314 -0.000 -3.227) 10.807 10.855 ( 4.266 0.000 6.922) 8.131 11.184 ( -0.868 -0.000 0.031) 0.869 11.869 ( 4.241 0.000 -32.805) 33.078 12.922 ( 0.321 0.000 2.481) 2.501 13.018 ( 2.429 0.000 5.431) 5.950 13.570 ( 0.869 0.000 -1.910) 2.099 13.748 ( -0.898 -0.000 -4.451) 4.540 14.426 ( -0.785 -0.000 1.163) 1.403 14.437 ( -3.834 -0.000 6.086) 7.193 14.686 ( 20.996 0.000 -4.243) 21.421 15.843 ( -35.899 -0.000 47.795) 59.776 16.428 ( 2.020 0.000 -0.779) 2.165 16.569 ( 2.355 0.000 0.203) 2.364 ======================= Grid point 80 (28/105) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 17.685 -0.887 11.070) 20.883 1.292 ( 7.859 -9.274 15.097) 19.383 1.356 ( 13.077 -17.342 18.661) 28.636 2.205 ( 8.662 10.603 5.669) 14.819 2.426 ( 7.845 -5.441 4.810) 10.691 2.575 ( 1.418 2.914 0.908) 3.365 2.855 ( -7.083 13.164 2.456) 15.149 2.969 ( 2.674 -0.297 0.280) 2.705 3.036 ( 8.248 1.465 2.965) 8.886 3.212 ( -4.606 -8.745 2.580) 10.215 3.307 ( -2.550 -6.572 7.246) 10.109 3.871 ( -6.369 -2.910 -2.547) 7.450 4.067 ( -3.794 4.455 1.518) 6.045 4.168 ( 38.636 3.449 -2.267) 38.856 4.370 ( -3.706 7.151 -1.965) 8.291 4.443 ( 2.398 0.368 2.015) 3.154 4.732 ( -4.954 -5.350 -0.075) 7.292 5.138 ( 8.310 -2.624 1.098) 8.783 5.308 ( -37.418 -1.267 1.025) 37.453 5.438 ( 6.654 1.293 0.556) 6.801 5.736 ( 12.932 -2.722 -0.737) 13.236 6.246 ( 0.316 1.504 -2.237) 2.714 6.336 ( -1.898 3.401 -3.013) 4.924 6.372 ( -2.759 0.875 -0.807) 3.005 6.467 ( 2.054 -0.861 -2.216) 3.142 6.724 ( 11.758 -5.862 -4.783) 13.982 6.838 ( -3.278 0.940 -1.042) 3.566 7.741 ( -9.778 4.106 -3.942) 11.314 8.234 ( -5.667 1.466 -0.854) 5.915 8.326 ( 0.815 2.795 -3.591) 4.623 8.501 ( -17.907 -2.737 0.492) 18.121 8.672 ( 10.814 11.515 -9.100) 18.231 9.925 ( -2.314 -5.392 0.261) 5.874 10.333 ( 1.361 5.222 -4.814) 7.232 10.451 ( 2.715 -5.644 -8.490) 10.550 10.926 ( 3.665 -0.534 4.982) 6.208 11.154 ( -2.360 0.805 0.009) 2.493 11.698 ( -8.738 16.424 -19.012) 26.600 12.946 ( 0.786 -2.247 1.072) 2.610 13.057 ( 1.946 -0.326 6.692) 6.977 13.533 ( -0.899 3.658 0.006) 3.767 13.755 ( -2.363 -1.973 -0.260) 3.090 14.340 ( -10.490 -7.636 10.982) 16.999 14.427 ( -0.581 -1.659 1.060) 2.053 15.063 ( 16.170 -5.890 -5.975) 18.217 15.565 ( -3.312 -2.603 16.166) 16.706 16.461 ( 1.044 -1.286 -1.043) 1.958 16.600 ( 1.888 1.101 0.011) 2.186 ======================= Grid point 81 (29/105) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 15.284 -8.525 4.510) 18.072 1.568 ( 9.943 -13.810 10.808) 20.159 1.736 ( 9.500 -16.164 14.421) 23.653 2.091 ( -1.280 14.726 -0.842) 14.806 2.344 ( 0.034 14.714 3.214) 15.061 2.554 ( -5.352 18.035 7.503) 20.254 2.811 ( 7.854 -7.310 0.239) 10.732 2.996 ( -0.673 1.610 1.686) 2.427 3.172 ( -0.175 -3.667 -1.220) 3.869 3.235 ( 8.977 -0.513 1.564) 9.127 3.407 ( 2.021 -10.311 4.885) 11.587 3.821 ( -6.925 -5.978 -2.493) 9.482 3.848 ( -10.393 6.975 3.091) 12.892 4.074 ( -13.281 0.480 -1.498) 13.374 4.609 ( -22.706 -0.449 -0.780) 22.724 4.682 ( -16.052 -1.805 0.427) 16.159 4.728 ( 8.808 1.814 1.642) 9.142 4.845 ( 41.722 4.168 -1.292) 41.949 5.276 ( 2.783 -4.430 0.480) 5.254 5.461 ( -1.793 2.650 0.109) 3.202 5.937 ( 5.907 -4.760 -2.640) 8.032 6.190 ( -5.391 3.751 -2.564) 7.050 6.225 ( -7.003 -1.020 -0.129) 7.078 6.357 ( 3.720 4.086 -1.100) 5.634 6.530 ( 2.982 -2.592 -1.316) 4.164 6.723 ( -3.052 3.902 -0.838) 5.025 7.019 ( 8.562 -9.859 -2.487) 13.293 7.492 ( -11.944 7.983 -3.361) 14.754 8.083 ( -18.026 -4.811 -4.700) 19.240 8.272 ( -1.500 -0.279 2.949) 3.320 8.355 ( -0.883 -0.603 2.654) 2.862 8.727 ( 13.268 13.825 -4.621) 19.711 9.966 ( -0.720 -6.825 1.581) 7.043 10.235 ( -2.742 4.409 -1.530) 5.413 10.650 ( 9.064 -6.418 -8.201) 13.806 10.960 ( -0.626 2.322 -0.590) 2.476 11.097 ( -2.880 -0.160 0.483) 2.924 11.352 ( -10.922 12.889 -6.715) 18.179 12.983 ( 0.115 -2.619 0.838) 2.752 13.084 ( 1.569 0.911 6.259) 6.517 13.498 ( -1.019 -1.094 3.070) 3.415 13.701 ( -2.582 3.189 5.439) 6.813 14.275 ( -12.070 -13.744 6.036) 19.262 14.444 ( 0.242 -1.844 0.194) 1.870 15.198 ( -7.549 -8.214 0.562) 11.170 15.773 ( 29.637 9.946 -8.499) 32.396 16.486 ( -0.489 -2.317 -1.324) 2.713 16.604 ( 0.672 2.029 0.055) 2.138 ======================= Grid point 82 (30/105) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -4.329 5.005 -1.649) 6.820 1.831 ( 1.565 -2.645 9.671) 10.148 1.935 ( 8.094 -7.974 4.068) 12.068 2.050 ( 7.503 1.084 1.943) 7.826 2.158 ( -1.240 18.487 9.328) 20.744 2.362 ( 7.937 10.969 9.809) 16.719 2.911 ( -4.425 -2.349 0.186) 5.014 2.941 ( -0.283 1.886 1.120) 2.212 3.117 ( -1.877 6.544 1.906) 7.070 3.416 ( 6.277 3.293 -3.266) 7.805 3.584 ( 1.153 -13.471 3.685) 14.013 3.599 ( -8.169 -0.796 2.392) 8.549 3.811 ( -10.198 -11.418 -4.087) 15.845 3.935 ( -6.362 -3.119 0.496) 7.102 3.979 ( -33.992 -2.029 1.810) 34.100 4.560 ( -3.427 4.252 0.256) 5.467 4.985 ( 18.126 4.057 -0.133) 18.575 5.267 ( -3.884 -4.110 -0.267) 5.661 5.332 ( -8.215 3.814 0.400) 9.066 5.476 ( 33.005 4.100 -0.842) 33.269 5.988 ( -10.529 4.258 -2.306) 11.589 6.036 ( -2.967 -3.987 -3.238) 5.932 6.149 ( -3.090 -2.929 0.303) 4.268 6.408 ( 4.606 0.396 -1.206) 4.777 6.588 ( -1.296 -2.605 -1.881) 3.464 6.648 ( 0.438 3.610 1.167) 3.819 7.170 ( -11.178 1.472 -3.073) 11.686 7.222 ( -5.617 -5.277 -0.619) 7.732 7.833 ( -16.734 -7.278 -10.391) 20.999 8.330 ( 4.639 -3.093 5.509) 7.838 8.403 ( 6.825 1.973 1.793) 7.327 8.812 ( 13.476 10.803 -0.583) 17.281 10.053 ( 1.636 -7.521 2.105) 7.980 10.170 ( 0.145 3.398 -0.225) 3.409 10.758 ( -8.317 5.580 -8.709) 13.272 10.880 ( 3.977 -2.019 -5.175) 6.832 11.094 ( -2.505 -3.442 1.398) 4.480 11.133 ( -4.254 1.483 1.617) 4.787 12.996 ( -1.256 -1.314 2.244) 2.888 13.086 ( 0.960 2.431 3.748) 4.569 13.534 ( 0.441 -6.212 7.111) 9.452 13.626 ( -1.402 3.862 5.994) 7.267 14.234 ( -11.752 -14.251 2.177) 18.600 14.466 ( -0.211 -1.608 -0.247) 1.640 15.100 ( -8.756 -0.183 -2.731) 9.174 16.186 ( 34.600 13.350 -11.105) 38.713 16.496 ( -1.569 -2.629 -1.691) 3.498 16.581 ( 0.355 3.181 0.158) 3.205 ======================= Grid point 83 (31/105) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -9.214 21.416 -7.746) 24.567 1.654 ( -18.530 9.211 8.484) 22.365 1.825 ( -2.876 23.598 11.395) 26.362 2.124 ( 5.443 -0.728 12.484) 13.638 2.271 ( 9.412 -0.829 2.431) 9.756 2.512 ( 9.816 -0.373 9.298) 13.525 2.802 ( -8.455 0.751 3.524) 9.191 2.855 ( -3.966 6.537 2.352) 7.999 3.051 ( -0.081 3.132 4.431) 5.427 3.212 ( -21.706 -9.203 -6.807) 24.539 3.502 ( -2.720 4.378 0.336) 5.165 3.595 ( -4.075 -0.691 -0.513) 4.165 3.804 ( -1.142 -8.459 1.616) 8.688 3.911 ( 1.101 -11.915 2.119) 12.152 3.965 ( 0.587 -13.298 0.730) 13.331 4.484 ( 3.034 8.030 -0.293) 8.589 5.089 ( -8.257 4.904 -1.035) 9.659 5.179 ( -9.950 -4.839 -0.270) 11.067 5.250 ( 14.784 5.943 0.800) 15.954 5.680 ( -13.981 7.645 -0.004) 15.934 5.933 ( 22.025 2.260 0.451) 22.145 6.032 ( -5.530 -6.814 -5.456) 10.334 6.186 ( 3.239 -2.880 -1.233) 4.506 6.465 ( 0.157 -1.535 -3.269) 3.614 6.554 ( -4.046 -2.569 -1.819) 5.126 6.622 ( -6.089 -1.086 0.001) 6.185 6.869 ( -11.811 8.711 -2.961) 14.972 7.128 ( -23.263 -15.249 -1.887) 27.879 7.772 ( 0.207 -4.927 -11.514) 12.526 8.457 ( 5.843 -3.242 6.066) 9.024 8.513 ( 9.004 2.874 0.692) 9.477 8.924 ( 11.682 7.157 1.256) 13.757 10.153 ( 2.534 0.181 -0.911) 2.699 10.173 ( 1.706 -2.690 -0.462) 3.219 10.525 ( -8.168 3.670 -8.179) 12.128 10.898 ( -3.508 1.300 4.441) 5.807 11.114 ( 1.197 -4.417 -0.369) 4.591 11.143 ( -3.087 -8.099 -2.049) 8.906 12.978 ( -1.096 0.590 3.166) 3.402 13.061 ( -0.717 2.416 2.838) 3.796 13.570 ( -0.167 2.608 3.893) 4.689 13.649 ( 2.628 -8.390 9.957) 13.283 14.199 ( -10.928 -13.401 -0.122) 17.292 14.466 ( -1.492 -0.778 -0.699) 1.822 14.934 ( -6.344 7.108 -3.905) 10.297 16.484 ( 2.302 0.705 -1.536) 2.856 16.493 ( -1.092 0.061 -2.287) 2.535 16.678 ( 33.418 14.733 -6.958) 37.178 ======================= Grid point 84 (32/105) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -8.940 22.983 -3.514) 24.909 1.111 ( -28.621 14.671 5.436) 32.619 1.529 ( -1.554 23.190 14.927) 27.622 2.026 ( -1.439 31.845 20.220) 37.750 2.260 ( -2.679 -0.936 14.743) 15.013 2.571 ( -9.586 -4.653 -1.859) 10.816 2.714 ( -0.211 -6.260 3.603) 7.226 2.780 ( -1.755 -1.436 1.866) 2.936 3.064 ( 4.994 -1.361 2.906) 5.936 3.222 ( 6.810 -5.710 0.667) 8.912 3.416 ( -2.650 3.568 1.051) 4.567 3.589 ( -4.115 -5.786 1.983) 7.372 3.780 ( 0.426 3.197 -3.537) 4.787 4.098 ( -3.098 -20.695 -0.599) 20.934 4.207 ( 8.168 -11.978 9.926) 17.570 4.524 ( 18.042 10.950 -2.930) 21.307 4.891 ( -6.914 4.592 -1.117) 8.375 5.099 ( -5.482 -4.846 -0.430) 7.329 5.361 ( -10.279 7.904 1.189) 13.021 5.447 ( 13.655 6.551 -0.336) 15.149 5.988 ( -9.410 -5.547 -5.787) 12.362 6.130 ( -12.286 -12.668 -6.459) 18.792 6.256 ( -27.938 -5.920 -4.533) 28.916 6.324 ( 5.482 -0.497 -2.373) 5.994 6.454 ( -1.103 2.476 -2.468) 3.666 6.574 ( -13.884 7.068 -2.814) 15.831 6.592 ( 2.750 2.261 0.711) 3.631 6.978 ( -5.564 -5.329 -1.999) 7.960 7.861 ( 2.712 -4.591 -8.173) 9.759 8.572 ( 3.744 -2.603 6.104) 7.619 8.610 ( 6.088 2.963 0.076) 6.771 9.022 ( 7.299 4.400 1.232) 8.611 10.137 ( -4.254 4.127 -9.883) 11.524 10.178 ( 2.977 3.586 -3.455) 5.802 10.529 ( 3.127 -10.195 -0.044) 10.664 10.819 ( -3.283 1.376 7.277) 8.101 11.144 ( -2.873 -4.020 -1.208) 5.086 11.181 ( -4.094 -7.294 -0.827) 8.405 12.956 ( -0.100 1.303 4.153) 4.354 13.015 ( -1.493 2.268 2.422) 3.638 13.547 ( 0.207 1.853 2.526) 3.140 13.799 ( 3.933 -7.967 9.126) 12.736 14.168 ( -9.157 -11.398 -2.187) 14.784 14.440 ( -1.718 0.103 -1.084) 2.034 14.752 ( -2.941 11.503 -2.035) 12.047 16.447 ( -1.316 2.667 -0.827) 3.087 16.486 ( -1.615 -2.277 -0.802) 2.905 17.142 ( 36.196 9.965 -7.905) 38.366 ======================= Grid point 85 (33/105) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.000 12.751 14.849) 19.573 0.628 ( 0.000 20.888 4.724) 21.415 1.280 ( 0.000 19.250 18.837) 26.933 1.589 ( 0.000 39.209 29.203) 48.889 2.249 ( -0.000 -0.655 17.237) 17.250 2.509 ( -0.000 -4.909 -3.775) 6.193 2.751 ( -0.000 -1.670 1.555) 2.282 2.803 ( -0.000 -2.557 1.992) 3.241 3.163 ( -0.000 -4.894 8.476) 9.787 3.325 ( 0.000 3.218 3.907) 5.062 3.437 ( -0.000 -6.749 -4.192) 7.945 3.559 ( -0.000 -5.409 8.190) 9.815 3.770 ( 0.000 4.808 -7.640) 9.028 4.277 ( -0.000 -17.626 -0.595) 17.636 4.347 ( -0.000 -1.365 3.837) 4.072 4.721 ( 0.000 3.460 0.763) 3.543 5.044 ( -0.000 -3.503 -2.560) 4.339 5.143 ( -0.000 -0.819 2.421) 2.556 5.173 ( -0.000 -2.257 -8.281) 8.583 5.356 ( 0.000 4.126 0.886) 4.220 5.588 ( 0.000 3.104 0.470) 3.139 5.885 ( 0.000 4.119 -3.709) 5.543 6.247 ( -0.000 -3.835 -0.025) 3.835 6.377 ( 0.000 5.184 -5.853) 7.819 6.389 ( 0.000 2.556 -0.286) 2.572 6.422 ( 0.000 2.384 -1.287) 2.709 6.598 ( 0.000 1.221 -1.428) 1.879 6.993 ( -0.000 -3.212 -1.400) 3.504 7.939 ( -0.000 -5.085 -5.358) 7.386 8.621 ( 0.000 1.100 2.549) 2.776 8.639 ( -0.000 -0.617 3.257) 3.315 9.047 ( 0.000 2.671 0.513) 2.720 10.046 ( 0.000 3.706 -11.898) 12.462 10.150 ( 0.000 7.489 -6.582) 9.970 10.742 ( -0.000 -17.382 0.776) 17.400 10.777 ( 0.000 0.871 8.003) 8.050 11.118 ( -0.000 -2.299 -0.495) 2.352 11.188 ( -0.000 -1.655 1.198) 2.043 12.945 ( 0.000 1.038 6.114) 6.201 12.975 ( 0.000 1.906 0.951) 2.130 13.531 ( 0.000 1.350 1.969) 2.387 13.901 ( -0.000 -1.243 2.378) 2.684 14.183 ( -0.000 -8.069 -3.334) 8.730 14.423 ( -0.000 -0.240 -0.312) 0.394 14.603 ( 0.000 10.641 1.285) 10.718 16.407 ( 0.000 2.182 -0.616) 2.268 16.493 ( -0.000 -1.592 -0.583) 1.695 17.485 ( -0.000 -1.246 -10.690) 10.763 ======================= Grid point 88 (34/105) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 12.566 0.000 11.550) 17.067 1.411 ( 14.063 0.000 12.220) 18.631 1.514 ( 16.387 0.000 12.535) 20.631 2.319 ( -0.248 -0.000 6.564) 6.568 2.479 ( 2.454 0.000 -8.100) 8.464 2.715 ( 11.247 0.000 1.475) 11.343 2.910 ( -0.976 -0.000 0.566) 1.128 2.954 ( -5.294 -0.000 3.733) 6.478 3.096 ( -1.969 -0.000 6.236) 6.540 3.113 ( 5.010 0.000 -0.413) 5.027 3.340 ( 10.354 0.000 4.155) 11.157 3.736 ( -7.527 -0.000 -2.444) 7.914 3.973 ( -7.801 -0.000 3.893) 8.718 4.035 ( -26.023 -0.000 -1.135) 26.048 4.629 ( -42.610 -0.000 1.520) 42.637 4.642 ( 3.833 0.000 -2.441) 4.545 4.753 ( 14.407 0.000 2.059) 14.553 4.899 ( 42.541 0.000 -1.777) 42.578 5.219 ( 2.378 0.000 0.637) 2.462 5.491 ( -1.759 -0.000 0.163) 1.767 5.882 ( 6.026 0.000 -2.653) 6.584 6.208 ( -8.890 -0.000 -0.675) 8.915 6.240 ( -3.537 -0.000 -1.994) 4.060 6.392 ( -0.425 -0.000 -0.551) 0.696 6.524 ( 4.602 0.000 -3.262) 5.641 6.780 ( -2.957 -0.000 0.725) 3.045 6.883 ( 9.635 0.000 -3.423) 10.224 7.584 ( -12.166 -0.000 -3.828) 12.754 8.026 ( -19.852 -0.000 -4.641) 20.387 8.255 ( -5.270 -0.000 5.198) 7.403 8.362 ( 2.444 0.000 2.124) 3.238 8.917 ( 9.855 0.000 -6.735) 11.936 9.872 ( -0.499 -0.000 0.854) 0.989 10.291 ( -5.214 -0.000 -4.409) 6.828 10.572 ( 11.157 0.000 -6.075) 12.704 10.973 ( 2.171 0.000 3.323) 3.969 11.103 ( -4.550 -0.000 -0.526) 4.580 11.546 ( -18.173 -0.000 -12.779) 22.217 12.942 ( 0.588 0.000 0.513) 0.780 13.084 ( 1.777 0.000 8.411) 8.596 13.538 ( -2.278 -0.000 -0.454) 2.323 13.703 ( -1.858 -0.000 -3.416) 3.888 14.061 ( -13.872 -0.000 20.946) 25.123 14.418 ( 0.424 0.000 0.221) 0.478 15.119 ( 0.508 0.000 2.032) 2.095 15.885 ( 30.423 0.000 -9.465) 31.861 16.458 ( -0.573 -0.000 -1.552) 1.655 16.627 ( 0.742 0.000 0.364) 0.826 ======================= Grid point 89 (35/105) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 10.691 -3.717 8.719) 14.288 1.683 ( 14.099 -3.918 8.090) 16.721 1.775 ( 8.577 -6.263 9.730) 14.403 2.270 ( 4.391 12.299 -2.955) 13.390 2.522 ( 6.343 6.441 -0.759) 9.072 2.676 ( -3.940 16.358 5.098) 17.581 2.844 ( 0.292 -0.900 -2.843) 2.997 2.972 ( -0.241 0.524 3.132) 3.185 3.151 ( 0.698 -7.185 1.398) 7.353 3.230 ( 1.899 -11.026 2.285) 11.419 3.508 ( 2.099 3.770 -1.844) 4.693 3.592 ( -17.418 -1.563 -0.362) 17.492 3.624 ( -9.868 -3.966 -2.721) 10.978 3.865 ( -7.477 -2.301 3.899) 8.741 3.982 ( -31.585 0.767 3.147) 31.751 4.627 ( -1.282 1.621 -0.910) 2.258 5.046 ( 19.012 1.400 -0.011) 19.064 5.196 ( -6.213 -1.923 -0.410) 6.517 5.390 ( -7.950 1.375 -0.019) 8.068 5.550 ( 35.647 2.126 -1.105) 35.728 5.929 ( -1.914 -2.382 -4.551) 5.482 6.083 ( -7.115 -0.266 -0.496) 7.138 6.111 ( -9.556 1.170 -0.316) 9.632 6.362 ( -5.027 -2.655 1.079) 5.787 6.584 ( 2.176 1.215 -4.029) 4.737 6.747 ( 2.079 3.837 2.801) 5.186 6.993 ( -2.597 -5.543 -0.734) 6.165 7.346 ( -13.758 4.004 -3.568) 14.767 7.712 ( -15.723 -3.309 -8.137) 18.011 8.274 ( 4.475 -1.503 5.919) 7.571 8.439 ( 7.487 0.963 1.971) 7.802 9.029 ( 9.467 6.836 -1.306) 11.750 9.905 ( 1.213 -4.705 1.673) 5.139 10.220 ( -2.255 1.144 -2.575) 3.609 10.749 ( 7.853 -1.752 -3.276) 8.688 10.958 ( -5.236 4.399 -3.169) 7.537 11.028 ( -2.912 -2.608 0.596) 3.954 11.216 ( -15.343 3.887 -2.119) 15.969 12.960 ( 0.214 -1.519 0.494) 1.612 13.117 ( 2.071 0.123 8.449) 8.700 13.477 ( -2.317 1.500 2.048) 3.437 13.676 ( -2.480 -0.161 0.798) 2.610 13.919 ( -11.066 -10.282 12.424) 19.559 14.434 ( 0.543 -0.951 -0.334) 1.145 15.115 ( -0.847 0.792 -1.809) 2.149 16.376 ( 27.932 4.437 -14.268) 31.677 16.449 ( -0.215 -1.568 -2.809) 3.224 16.637 ( 3.439 1.603 0.058) 3.795 ======================= Grid point 90 (36/105) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -3.143 8.048 2.086) 8.888 1.847 ( -1.624 6.137 5.505) 8.403 1.937 ( 8.145 -8.282 7.443) 13.796 2.281 ( 8.982 7.969 -1.660) 12.121 2.385 ( 1.886 20.415 5.525) 21.233 2.580 ( 0.660 5.179 5.614) 7.667 2.818 ( -3.033 -0.564 -0.783) 3.183 2.925 ( -15.800 -5.485 -3.072) 17.005 3.011 ( -8.882 -3.818 -0.427) 9.677 3.250 ( -1.301 8.656 0.685) 8.780 3.471 ( -4.815 -7.727 1.815) 9.284 3.511 ( -2.865 -10.371 3.222) 11.231 3.619 ( -9.999 -4.471 2.803) 11.306 3.669 ( 4.727 1.216 -2.001) 5.275 3.860 ( 1.199 -3.200 -1.267) 3.645 4.604 ( 2.454 3.003 -0.693) 3.939 5.077 ( -10.720 -3.880 -0.772) 11.426 5.177 ( -9.397 2.971 -0.586) 9.873 5.350 ( 15.963 3.093 0.696) 16.275 5.813 ( -13.995 2.914 -3.065) 14.620 5.906 ( -7.827 -3.196 -4.531) 9.592 5.967 ( 4.883 0.325 -0.885) 4.974 6.111 ( 12.133 -3.222 -1.325) 12.624 6.281 ( -11.468 -7.888 5.468) 14.955 6.565 ( -1.375 2.114 -3.542) 4.348 6.745 ( 3.470 7.127 3.035) 8.487 6.910 ( -10.094 -4.882 -0.817) 11.243 7.061 ( -13.815 6.075 -3.077) 15.402 7.651 ( 0.211 -5.557 -9.954) 11.402 8.392 ( 6.345 -2.381 5.951) 9.019 8.569 ( 9.358 1.930 0.880) 9.595 9.099 ( 9.031 7.872 1.698) 12.099 10.008 ( 2.799 -7.593 1.850) 8.301 10.195 ( 0.493 0.755 -0.759) 1.178 10.665 ( -12.372 7.829 -7.080) 16.263 10.905 ( 1.102 -1.433 0.816) 1.983 11.005 ( -4.223 -2.029 1.833) 5.031 11.065 ( -1.929 -2.693 1.126) 3.498 12.975 ( 0.119 -0.698 1.591) 1.742 13.127 ( 0.600 2.938 5.762) 6.495 13.476 ( 0.201 -5.370 6.754) 8.631 13.630 ( -1.641 1.587 3.782) 4.417 13.886 ( -9.288 -13.100 4.091) 16.572 14.447 ( -0.244 -0.742 -0.767) 1.094 15.068 ( -1.326 4.608 -3.943) 6.208 16.432 ( -1.723 -2.034 -1.783) 3.207 16.546 ( -0.032 1.818 -2.553) 3.134 16.907 ( 29.119 6.413 -15.146) 33.444 ======================= Grid point 91 (37/105) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -20.353 15.066 5.450) 25.902 1.592 ( -4.955 23.524 -8.586) 25.528 2.056 ( 0.269 20.191 9.077) 22.139 2.146 ( 1.666 -2.724 11.378) 11.817 2.370 ( -8.315 -5.411 0.499) 9.934 2.561 ( 3.650 -1.773 0.690) 4.116 2.762 ( -1.174 2.727 3.609) 4.673 2.805 ( 2.316 13.628 1.515) 13.906 3.017 ( 3.420 -1.488 1.018) 3.866 3.167 ( 2.754 4.332 5.178) 7.292 3.346 ( -9.755 -7.456 1.246) 12.341 3.562 ( -5.406 -5.711 1.241) 7.960 3.717 ( 2.012 -7.698 1.136) 8.038 3.737 ( 1.012 -8.448 -1.228) 8.596 3.982 ( 7.934 -4.940 0.012) 9.347 4.676 ( 11.746 3.089 -2.663) 12.434 4.960 ( -8.112 -1.224 -1.608) 8.360 4.995 ( -6.615 -1.260 0.652) 6.766 5.499 ( -17.308 1.644 -2.120) 17.515 5.564 ( 10.060 3.469 -1.233) 10.713 5.741 ( -21.734 -8.745 -6.066) 24.200 5.935 ( -6.520 -4.852 -3.349) 8.791 6.190 ( -3.642 -2.754 7.071) 8.417 6.375 ( 12.689 2.385 -0.389) 12.918 6.514 ( -1.466 2.706 -3.253) 4.479 6.696 ( 1.582 7.268 2.588) 7.876 6.771 ( -10.397 8.542 -3.161) 13.823 6.871 ( -2.068 -4.145 -1.358) 4.827 7.747 ( 2.269 -5.852 -9.394) 11.298 8.510 ( 4.054 -2.703 6.049) 7.767 8.678 ( 6.343 2.784 0.001) 6.927 9.147 ( 6.096 6.723 2.541) 9.424 10.146 ( 3.040 -7.084 -1.079) 7.784 10.212 ( 2.126 1.308 -1.849) 3.107 10.408 ( -9.305 2.344 -3.980) 10.389 10.856 ( -3.297 1.918 6.380) 7.433 11.019 ( -1.897 -5.404 -0.757) 5.777 11.098 ( 0.821 -3.106 1.106) 3.397 12.978 ( 0.201 0.565 2.802) 2.865 13.083 ( -0.703 3.906 3.587) 5.350 13.581 ( 1.511 -4.195 6.000) 7.476 13.602 ( 0.654 -3.680 7.913) 8.751 13.890 ( -7.253 -12.682 0.190) 14.611 14.441 ( -0.818 0.037 -1.098) 1.369 14.975 ( -1.065 8.402 -3.954) 9.347 16.432 ( -1.266 -2.411 -1.530) 3.123 16.506 ( -1.133 2.473 -1.050) 2.916 17.282 ( 21.967 3.832 -17.875) 28.579 ======================= Grid point 92 (38/105) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 16.770 9.275) 19.164 1.249 ( 0.000 29.821 -13.121) 32.579 1.785 ( 0.000 25.036 12.426) 27.950 2.208 ( -0.000 -4.111 12.077) 12.757 2.361 ( -0.000 -7.604 0.773) 7.643 2.403 ( 0.000 31.498 14.370) 34.622 2.729 ( 0.000 0.802 3.061) 3.164 2.765 ( 0.000 0.213 -0.131) 0.250 3.091 ( -0.000 -2.810 3.262) 4.305 3.266 ( -0.000 -7.516 -1.629) 7.691 3.308 ( -0.000 -6.094 3.621) 7.089 3.528 ( 0.000 2.727 4.440) 5.211 3.818 ( -0.000 -1.693 -5.491) 5.746 3.848 ( -0.000 -17.868 -1.538) 17.934 4.156 ( -0.000 -10.856 9.269) 14.274 4.803 ( 0.000 3.339 0.704) 3.413 4.966 ( -0.000 -3.368 -1.995) 3.914 5.104 ( -0.000 -2.314 4.007) 4.628 5.124 ( -0.000 -6.108 -18.349) 19.339 5.477 ( 0.000 6.082 1.170) 6.194 5.660 ( 0.000 3.698 0.440) 3.724 5.905 ( -0.000 -1.838 -3.824) 4.243 6.195 ( -0.000 -1.492 3.827) 4.107 6.455 ( 0.000 3.468 -0.848) 3.570 6.462 ( 0.000 2.542 -3.384) 4.232 6.573 ( 0.000 9.754 -3.250) 10.281 6.650 ( 0.000 4.263 2.077) 4.742 6.905 ( -0.000 -4.361 -1.267) 4.542 7.829 ( -0.000 -5.338 -8.711) 10.217 8.574 ( -0.000 -2.763 6.170) 6.760 8.699 ( 0.000 3.244 -0.251) 3.254 9.135 ( 0.000 5.296 2.067) 5.685 10.165 ( 0.000 7.089 -10.616) 12.766 10.217 ( -0.000 -1.071 -3.210) 3.384 10.413 ( -0.000 -12.317 3.439) 12.788 10.805 ( 0.000 1.710 7.287) 7.485 11.048 ( -0.000 -4.036 -0.391) 4.055 11.138 ( -0.000 -2.765 1.527) 3.159 12.971 ( 0.000 1.109 4.134) 4.280 13.034 ( 0.000 3.443 2.216) 4.095 13.569 ( 0.000 1.844 2.644) 3.224 13.737 ( -0.000 -10.440 12.488) 16.278 13.953 ( -0.000 -11.978 -2.540) 12.245 14.429 ( 0.000 0.440 -1.201) 1.279 14.858 ( 0.000 10.959 -2.709) 11.288 16.447 ( -0.000 -2.403 -1.153) 2.666 16.466 ( 0.000 2.862 -0.803) 2.973 17.472 ( -0.000 -0.122 -18.029) 18.030 ======================= Grid point 97 (39/105) ======================= q-point: ( 0.38 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 10.830 0.000 7.451) 13.146 1.820 ( 0.409 0.000 5.712) 5.727 1.889 ( 11.735 0.000 8.314) 14.382 2.455 ( 7.541 0.000 -2.993) 8.113 2.644 ( -1.643 -0.000 -6.768) 6.964 2.719 ( 5.830 0.000 -0.633) 5.864 2.737 ( -40.159 -0.000 0.342) 40.160 2.864 ( -3.465 -0.000 2.284) 4.150 3.014 ( 2.602 0.000 8.220) 8.622 3.108 ( 5.114 0.000 0.170) 5.117 3.397 ( -10.436 -0.000 -1.178) 10.502 3.426 ( -5.954 -0.000 -3.844) 7.087 3.692 ( -1.955 -0.000 0.238) 1.970 3.711 ( 7.502 0.000 -3.096) 8.116 3.755 ( -4.279 -0.000 3.857) 5.760 4.633 ( 1.130 0.000 -0.457) 1.219 5.031 ( -11.013 -0.000 -0.703) 11.035 5.211 ( -9.273 -0.000 -0.566) 9.290 5.384 ( 16.270 0.000 0.701) 16.285 5.803 ( -15.844 -0.000 -7.840) 17.678 5.918 ( -12.557 -0.000 0.651) 12.574 5.947 ( -9.325 -0.000 -2.116) 9.562 6.083 ( 25.873 0.000 -0.309) 25.875 6.193 ( -8.731 -0.000 8.803) 12.399 6.591 ( -1.284 -0.000 -4.093) 4.289 6.843 ( 4.855 0.000 3.190) 5.809 6.855 ( -7.190 -0.000 -0.653) 7.219 7.135 ( -14.080 -0.000 -3.321) 14.467 7.576 ( -0.289 -0.000 -9.370) 9.375 8.364 ( 6.585 0.000 5.837) 8.799 8.590 ( 9.454 0.000 0.972) 9.504 9.203 ( 7.644 0.000 1.736) 7.839 9.907 ( 2.198 0.000 2.041) 2.999 10.203 ( -0.271 -0.000 -0.844) 0.887 10.798 ( -15.466 -0.000 -5.629) 16.459 10.848 ( 4.225 0.000 -0.199) 4.229 11.003 ( 0.735 0.000 0.064) 0.738 11.023 ( -8.706 -0.000 3.914) 9.545 12.962 ( 0.946 0.000 0.276) 0.986 13.160 ( 2.783 0.000 9.674) 10.066 13.434 ( -3.735 -0.000 3.606) 5.191 13.627 ( -2.604 -0.000 -2.660) 3.723 13.733 ( -5.518 -0.000 11.836) 13.059 14.438 ( 0.415 0.000 -0.806) 0.907 15.120 ( 0.051 0.000 -4.295) 4.295 16.409 ( -1.737 -0.000 -2.284) 2.870 16.566 ( -0.225 -0.000 -2.517) 2.527 16.975 ( 26.781 0.000 -16.747) 31.586 ======================= Grid point 99 (40/105) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -13.404 14.408 5.517) 20.438 1.928 ( 1.105 -5.767 4.887) 7.640 1.972 ( -1.467 3.048 2.927) 4.473 2.229 ( -10.291 -4.259 1.107) 11.192 2.492 ( 1.150 11.772 -0.858) 11.859 2.641 ( 6.421 6.221 -1.591) 9.081 2.745 ( -1.996 1.089 -1.499) 2.723 2.863 ( 4.213 -3.541 -3.279) 6.406 3.066 ( 3.248 4.978 6.516) 8.819 3.154 ( -5.070 -4.986 0.792) 7.155 3.329 ( -6.556 -6.716 0.374) 9.393 3.362 ( -2.524 -14.094 6.749) 15.829 3.572 ( 0.623 14.631 2.913) 14.932 3.794 ( 3.428 3.384 -6.612) 8.180 3.896 ( 10.161 -5.883 -9.152) 14.887 4.684 ( 5.529 -1.137 -1.424) 5.821 4.879 ( -8.001 -2.417 -0.564) 8.377 5.034 ( -9.277 1.571 1.837) 9.587 5.387 ( -31.348 -5.334 -4.873) 32.170 5.625 ( 11.097 1.754 -0.393) 11.241 5.725 ( -7.630 1.595 2.467) 8.176 5.857 ( -3.916 -2.070 -3.255) 5.497 6.131 ( -1.704 -1.882 9.102) 9.449 6.409 ( 13.763 0.740 -0.155) 13.784 6.558 ( -1.736 1.124 -3.641) 4.187 6.789 ( -2.246 -1.160 -1.160) 2.781 6.876 ( 2.445 5.070 2.323) 6.089 6.908 ( -10.089 3.447 -2.991) 11.073 7.626 ( 2.096 -4.050 -9.160) 10.232 8.465 ( 4.297 -1.169 5.705) 7.237 8.722 ( 6.475 1.094 0.046) 6.567 9.285 ( 5.211 4.533 3.095) 7.568 9.975 ( 2.017 -5.664 2.024) 6.344 10.217 ( 2.001 -0.168 1.954) 2.802 10.527 ( -11.987 5.027 -5.651) 14.173 10.888 ( -1.221 -0.227 2.566) 2.850 10.924 ( -2.787 -1.701 1.997) 3.827 11.036 ( 1.130 -2.145 1.487) 2.844 12.981 ( 0.835 -0.181 0.697) 1.103 13.177 ( 0.967 3.925 8.120) 9.070 13.413 ( -0.778 -5.547 7.330) 9.225 13.602 ( -1.793 -1.733 -1.263) 2.795 13.688 ( -3.132 -3.696 6.339) 7.978 14.442 ( -0.073 0.014 -1.097) 1.099 15.104 ( -0.088 3.096 -5.394) 6.220 16.391 ( -1.032 -1.040 -2.319) 2.743 16.546 ( -0.997 0.978 -1.226) 1.858 17.334 ( 16.724 1.081 -20.442) 26.434 ======================= Grid point 100 (41/105) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 17.365 5.949) 18.356 1.819 ( 0.000 20.405 -7.568) 21.763 2.016 ( -0.000 -12.716 3.812) 13.275 2.244 ( -0.000 -3.145 6.824) 7.514 2.306 ( 0.000 20.520 6.626) 21.563 2.653 ( 0.000 3.356 -2.369) 4.108 2.758 ( -0.000 -0.823 -0.360) 0.899 2.922 ( 0.000 0.113 -5.572) 5.573 3.064 ( -0.000 -2.443 1.206) 2.725 3.176 ( -0.000 -4.468 8.279) 9.408 3.300 ( 0.000 17.442 6.008) 18.447 3.363 ( -0.000 -12.885 1.198) 12.941 3.609 ( -0.000 -14.171 6.455) 15.572 3.768 ( 0.000 5.355 -6.050) 8.080 4.038 ( -0.000 -1.330 -7.744) 7.857 4.825 ( -0.000 -1.649 -1.013) 1.935 4.899 ( -0.000 -12.296 -13.004) 17.897 4.932 ( 0.000 0.730 2.972) 3.060 5.057 ( -0.000 -1.748 2.622) 3.152 5.593 ( 0.000 4.110 2.042) 4.589 5.735 ( 0.000 2.651 0.622) 2.723 5.847 ( -0.000 -2.639 -3.705) 4.549 6.147 ( -0.000 -2.739 7.753) 8.223 6.509 ( 0.000 1.618 -3.271) 3.649 6.524 ( 0.000 2.271 -0.638) 2.359 6.760 ( 0.000 6.381 -3.146) 7.114 6.775 ( 0.000 2.969 0.514) 3.013 6.844 ( 0.000 2.190 0.695) 2.298 7.702 ( -0.000 -5.881 -9.089) 10.825 8.519 ( -0.000 -2.021 5.824) 6.165 8.760 ( 0.000 2.112 -0.298) 2.133 9.269 ( 0.000 6.326 3.245) 7.110 10.080 ( -0.000 -9.157 0.001) 9.157 10.265 ( -0.000 -2.275 5.858) 6.284 10.337 ( 0.000 7.684 -8.858) 11.727 10.849 ( 0.000 2.076 6.075) 6.420 10.950 ( -0.000 -4.482 -0.834) 4.559 11.074 ( -0.000 -2.841 2.122) 3.546 12.987 ( 0.000 0.305 1.664) 1.691 13.127 ( 0.000 5.045 5.362) 7.362 13.507 ( -0.000 -9.887 11.237) 14.968 13.598 ( 0.000 0.136 1.090) 1.098 13.717 ( -0.000 -7.780 1.286) 7.886 14.438 ( 0.000 0.325 -1.212) 1.255 15.051 ( 0.000 6.296 -5.053) 8.073 16.398 ( -0.000 -1.786 -2.025) 2.700 16.521 ( 0.000 1.899 -1.011) 2.152 17.474 ( 0.000 0.154 -21.050) 21.051 ======================= Grid point 108 (42/105) ======================= q-point: (-0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 0.000 3.729) 3.729 1.755 ( -0.000 -0.000 4.170) 4.170 2.056 ( 0.000 0.000 2.269) 2.269 2.208 ( -0.000 -0.000 6.014) 6.014 2.578 ( -0.000 -0.000 -7.867) 7.867 2.688 ( 0.000 0.000 -2.214) 2.214 2.760 ( -0.000 -0.000 -6.883) 6.883 2.860 ( -0.000 -0.000 3.302) 3.302 3.134 ( -0.000 -0.000 11.473) 11.473 3.175 ( 0.000 0.000 12.020) 12.020 3.197 ( -0.000 -0.000 -2.453) 2.453 3.202 ( 0.000 0.000 -0.197) 0.197 3.661 ( 0.000 0.000 -0.277) 0.277 3.841 ( -0.000 -0.000 -8.899) 8.899 4.009 ( -0.000 -0.000 -17.448) 17.448 4.725 ( -0.000 -0.000 -2.461) 2.461 4.795 ( 0.000 0.000 -0.048) 0.048 4.948 ( 0.000 0.000 4.622) 4.622 5.036 ( -0.000 -0.000 1.140) 1.140 5.641 ( 0.000 0.000 2.603) 2.603 5.765 ( -0.000 -0.000 0.656) 0.656 5.814 ( -0.000 -0.000 -3.745) 3.745 6.109 ( 0.000 0.000 8.788) 8.788 6.528 ( -0.000 -0.000 -3.312) 3.312 6.548 ( -0.000 -0.000 -0.525) 0.525 6.767 ( 0.000 0.000 -1.444) 1.444 6.832 ( -0.000 -0.000 -3.065) 3.065 6.931 ( -0.000 -0.000 2.623) 2.623 7.621 ( -0.000 -0.000 -9.042) 9.042 8.495 ( -0.000 -0.000 5.553) 5.553 8.784 ( -0.000 -0.000 -0.279) 0.279 9.356 ( 0.000 0.000 3.417) 3.417 9.958 ( -0.000 -0.000 2.599) 2.599 10.243 ( -0.000 -0.000 5.793) 5.793 10.439 ( 0.000 0.000 -7.684) 7.684 10.880 ( -0.000 -0.000 -1.208) 1.208 10.886 ( -0.000 -0.000 5.007) 5.007 11.036 ( -0.000 -0.000 2.559) 2.559 12.988 ( -0.000 -0.000 0.302) 0.302 13.221 ( 0.000 0.000 10.392) 10.392 13.358 ( -0.000 -0.000 6.309) 6.309 13.570 ( 0.000 0.000 -2.952) 2.952 13.655 ( -0.000 -0.000 6.728) 6.728 14.441 ( -0.000 -0.000 -1.196) 1.196 15.121 ( -0.000 -0.000 -6.006) 6.006 16.377 ( -0.000 -0.000 -2.500) 2.500 16.542 ( -0.000 -0.000 -1.102) 1.102 17.476 ( -0.000 -0.000 -21.859) 21.859 ======================= Grid point 138 (43/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 0.000 19.691) 19.691 1.338 ( 0.000 0.000 29.292) 29.292 1.579 ( 0.000 0.000 27.332) 27.332 1.634 ( 0.000 0.000 35.185) 35.185 2.414 ( 0.000 0.000 -9.186) 9.186 2.733 ( 0.000 0.000 26.986) 26.986 2.866 ( 0.000 0.000 4.753) 4.753 2.883 ( 0.000 0.000 3.029) 3.029 3.368 ( 0.000 0.000 -1.268) 1.268 3.379 ( 0.000 0.000 -4.141) 4.141 3.481 ( 0.000 0.000 11.206) 11.206 3.750 ( 0.000 0.000 7.716) 7.716 3.835 ( 0.000 0.000 12.723) 12.723 4.045 ( 0.000 0.000 -11.172) 11.172 4.488 ( 0.000 0.000 -0.507) 0.507 4.687 ( 0.000 0.000 0.157) 0.157 5.058 ( 0.000 0.000 -4.249) 4.249 5.148 ( 0.000 0.000 3.192) 3.192 5.270 ( 0.000 0.000 -4.600) 4.600 5.348 ( 0.000 0.000 1.316) 1.316 5.503 ( 0.000 0.000 -1.206) 1.206 5.673 ( 0.000 0.000 -9.253) 9.253 6.161 ( 0.000 0.000 -10.214) 10.214 6.312 ( 0.000 0.000 1.229) 1.229 6.362 ( 0.000 0.000 -1.644) 1.644 6.373 ( 0.000 0.000 1.206) 1.206 6.506 ( 0.000 0.000 -4.175) 4.175 6.990 ( 0.000 0.000 -2.533) 2.533 7.969 ( 0.000 0.000 -3.904) 3.904 8.590 ( 0.000 0.000 0.293) 0.293 8.773 ( 0.000 0.000 5.455) 5.455 9.012 ( 0.000 0.000 -0.193) 0.193 9.751 ( 0.000 0.000 -11.768) 11.768 9.955 ( 0.000 0.000 -1.146) 1.146 10.777 ( 0.000 0.000 -15.495) 15.495 10.912 ( 0.000 0.000 5.541) 5.541 11.130 ( 0.000 0.000 -0.679) 0.679 11.232 ( 0.000 0.000 1.346) 1.346 12.976 ( 0.000 0.000 1.641) 1.641 13.117 ( 0.000 0.000 10.532) 10.532 13.564 ( 0.000 0.000 3.144) 3.144 13.635 ( 0.000 0.000 -7.391) 7.391 14.178 ( 0.000 0.000 -5.991) 5.991 14.478 ( 0.000 0.000 1.630) 1.630 14.614 ( 0.000 0.000 6.827) 6.827 16.367 ( 0.000 0.000 -0.894) 0.894 16.504 ( 0.000 0.000 -0.254) 0.254 17.462 ( 0.000 0.000 -3.120) 3.120 ======================= Grid point 139 (44/105) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 17.247 3.206 20.402) 26.907 1.254 ( 15.542 9.608 23.837) 30.035 1.618 ( 0.052 -7.238 25.611) 26.614 1.886 ( 6.411 -23.966 27.790) 37.253 2.533 ( 12.266 1.367 -7.368) 14.374 2.737 ( 0.792 1.178 25.488) 25.528 2.868 ( -0.434 1.223 1.841) 2.253 2.884 ( 5.193 3.063 3.220) 6.835 3.253 ( -8.686 3.623 3.048) 9.893 3.285 ( -8.450 3.296 -2.290) 9.355 3.455 ( -2.893 -3.095 6.977) 8.162 3.664 ( -2.318 7.416 4.897) 9.184 3.896 ( 6.751 2.926 8.532) 11.266 4.087 ( -5.427 -14.679 -6.087) 16.792 4.476 ( 4.251 12.174 -1.007) 12.934 4.620 ( -19.916 6.588 6.416) 21.936 4.783 ( 6.985 -3.282 -0.287) 7.724 5.159 ( 4.078 2.929 -2.306) 5.525 5.236 ( -6.501 -5.460 -1.033) 8.552 5.301 ( -0.365 -5.086 1.337) 5.272 5.930 ( 15.563 1.895 -7.721) 17.476 6.062 ( 25.525 -0.505 -14.392) 29.307 6.242 ( -4.389 4.426 -2.090) 6.574 6.277 ( -2.654 1.534 -4.144) 5.155 6.358 ( 6.077 0.229 -3.128) 6.838 6.401 ( 20.192 -2.457 -5.183) 20.990 6.510 ( -0.293 -3.893 -4.020) 5.604 7.008 ( 5.868 2.155 -3.414) 7.123 7.907 ( -2.933 6.559 -3.527) 8.004 8.551 ( -5.641 -1.825 0.443) 5.946 8.734 ( -3.705 1.368 5.037) 6.401 8.959 ( -7.888 -2.544 0.299) 8.294 9.826 ( 7.291 -2.324 -11.236) 13.595 9.979 ( -1.180 -5.635 -1.529) 5.957 10.629 ( -10.136 4.130 -8.370) 13.779 10.932 ( 1.996 -0.320 5.089) 5.476 11.172 ( 2.121 1.172 -1.527) 2.864 11.278 ( 6.391 4.156 -4.524) 8.864 12.980 ( -0.205 -1.228 2.135) 2.471 13.133 ( 2.125 0.512 9.621) 9.866 13.572 ( 0.043 -0.542 2.709) 2.764 13.706 ( 0.407 -10.857 -7.007) 12.929 14.217 ( 7.536 3.442 -7.009) 10.852 14.465 ( -0.478 1.051 1.691) 2.047 14.639 ( 1.600 -1.807 5.588) 6.087 16.385 ( 1.370 -1.052 -0.980) 1.986 16.509 ( 1.393 1.419 -0.454) 2.040 17.130 ( -31.666 4.957 5.412) 32.505 ======================= Grid point 140 (45/105) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 10.363 5.638 19.266) 22.591 1.681 ( 20.557 -7.871 12.837) 25.482 1.742 ( 1.314 -13.234 21.233) 25.054 2.206 ( 2.092 -13.277 14.807) 19.998 2.582 ( -3.376 4.570 5.755) 8.088 2.723 ( -0.476 -0.120 16.646) 16.653 2.875 ( -1.047 1.754 0.872) 2.221 3.017 ( 5.368 3.208 5.579) 8.381 3.062 ( -1.209 4.105 5.195) 6.731 3.208 ( 10.676 4.565 -6.986) 13.551 3.459 ( -2.061 -5.393 2.221) 6.185 3.612 ( 8.340 4.953 2.576) 10.036 3.942 ( 0.130 -0.638 3.246) 3.310 4.120 ( -4.142 -0.333 -2.557) 4.879 4.323 ( -6.874 14.294 3.375) 16.216 4.392 ( 4.312 4.991 1.730) 6.819 4.937 ( -0.409 -7.352 -0.873) 7.415 5.110 ( -3.931 -7.010 0.141) 8.038 5.268 ( 10.070 3.660 -0.837) 10.747 5.543 ( 12.529 -5.747 1.447) 13.860 5.909 ( -26.216 -1.127 0.673) 26.248 6.049 ( 6.443 6.543 -7.539) 11.881 6.212 ( -0.046 2.049 -1.484) 2.531 6.381 ( 0.315 -1.666 -3.649) 4.023 6.440 ( 14.913 -5.260 -8.633) 18.017 6.490 ( -2.991 -4.430 -1.656) 5.596 6.762 ( 6.333 1.943 -5.478) 8.596 7.318 ( 37.668 10.160 -14.614) 41.662 7.740 ( -6.001 10.148 -3.021) 12.171 8.460 ( -8.100 -2.970 1.043) 8.690 8.629 ( -6.060 2.614 3.797) 7.615 8.818 ( -13.924 -4.855 1.105) 14.788 10.022 ( 9.504 -3.371 -7.954) 12.843 10.029 ( 0.577 -7.789 -2.143) 8.099 10.436 ( -7.844 2.796 -4.431) 9.433 10.969 ( 1.602 0.208 3.536) 3.887 11.170 ( -0.772 1.231 0.073) 1.454 11.271 ( 2.318 9.855 -7.504) 12.602 13.001 ( 0.365 -2.468 2.801) 3.751 13.162 ( 2.467 1.828 7.887) 8.464 13.584 ( -0.363 -2.940 3.108) 4.294 13.807 ( -1.442 -6.688 -3.141) 7.528 14.348 ( 11.456 4.242 -6.227) 13.712 14.456 ( 0.754 -0.164 0.341) 0.844 14.717 ( 5.765 -3.626 0.374) 6.821 16.385 ( -13.533 1.814 1.738) 13.764 16.483 ( -7.791 -0.941 1.737) 8.037 16.572 ( -12.149 2.171 3.697) 12.883 ======================= Grid point 141 (46/105) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 15.328 -4.159 7.755) 17.674 1.927 ( 1.186 -11.228 12.754) 17.034 2.016 ( 6.985 -5.987 8.057) 12.229 2.164 ( -7.696 -5.410 10.310) 13.957 2.444 ( -4.589 8.577 15.033) 17.905 2.653 ( -7.971 12.984 8.173) 17.289 2.830 ( 3.638 -9.048 1.140) 9.818 3.032 ( 2.912 4.318 4.108) 6.633 3.097 ( 3.297 -3.069 3.867) 5.936 3.300 ( -2.293 -0.301 -0.752) 2.432 3.544 ( 5.581 -5.138 2.171) 7.891 3.889 ( 4.904 -2.176 -3.215) 6.255 3.976 ( 6.922 7.373 -1.631) 10.244 3.998 ( -1.562 10.657 3.942) 11.470 4.094 ( 16.613 7.752 -1.324) 18.381 4.523 ( 10.776 -1.177 2.820) 11.201 4.866 ( -13.289 -6.384 -0.142) 14.743 5.250 ( 7.126 -4.312 0.987) 8.387 5.345 ( -17.081 1.910 -0.052) 17.187 5.406 ( -12.043 -0.075 0.170) 12.044 5.823 ( 9.132 -6.260 -1.153) 11.132 6.063 ( 3.340 6.342 -6.163) 9.453 6.205 ( 2.849 2.174 -0.411) 3.607 6.358 ( -5.006 -1.304 -1.265) 5.326 6.507 ( 0.856 -3.886 -2.311) 4.601 6.640 ( 1.653 1.584 -5.187) 5.670 6.886 ( 10.473 -8.698 -3.475) 14.050 7.495 ( -9.517 10.893 -3.320) 14.841 7.793 ( 33.338 11.860 -9.944) 36.756 8.356 ( -9.979 -3.669 1.750) 10.775 8.501 ( -4.634 2.446 1.648) 5.493 8.626 ( -15.368 -5.582 1.372) 16.408 10.081 ( -0.327 -5.945 0.443) 5.970 10.214 ( 2.631 2.198 0.515) 3.467 10.383 ( 5.824 -6.442 -9.396) 12.795 10.913 ( -6.324 6.602 -2.475) 9.471 11.136 ( -0.250 0.176 0.490) 0.578 11.204 ( 0.854 5.702 -2.742) 6.385 13.047 ( 1.090 -3.615 3.356) 5.052 13.159 ( 0.700 3.781 5.838) 6.990 13.635 ( 0.847 -5.628 4.462) 7.232 13.801 ( -2.366 1.196 1.691) 3.144 14.427 ( 4.081 2.476 0.337) 4.785 14.484 ( 0.745 0.323 -0.290) 0.862 14.961 ( 18.388 -3.978 -7.847) 20.384 15.862 ( -32.231 1.005 2.010) 32.310 16.495 ( 0.139 -3.397 -1.023) 3.550 16.539 ( 1.989 3.465 -1.123) 4.150 ======================= Grid point 142 (47/105) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -2.692 -4.090 1.350) 5.079 1.720 ( 2.692 4.090 1.350) 5.079 2.207 ( 1.070 -15.992 13.493) 20.951 2.207 ( -1.070 15.992 13.493) 20.951 2.386 ( 0.594 -13.338 11.894) 17.881 2.386 ( -0.594 13.338 11.894) 17.881 2.976 ( 0.239 -5.105 1.447) 5.311 2.976 ( -0.239 5.105 1.447) 5.311 3.213 ( -8.284 -2.310 0.299) 8.605 3.213 ( 8.284 2.310 0.299) 8.605 3.741 ( 8.270 -8.808 4.593) 12.925 3.741 ( -8.270 8.808 4.593) 12.925 3.916 ( -2.366 -7.873 -3.091) 8.782 3.916 ( 2.366 7.873 -3.091) 8.782 4.649 ( -27.327 -3.738 -0.714) 27.590 4.649 ( 27.327 3.738 -0.714) 27.590 4.772 ( -28.930 -2.558 1.422) 29.078 4.772 ( 28.930 2.558 1.422) 29.078 5.383 ( 1.361 -4.332 0.154) 4.544 5.383 ( -1.361 4.332 0.154) 4.544 5.998 ( 2.159 -6.170 -3.808) 7.565 5.998 ( -2.159 6.170 -3.808) 7.565 6.269 ( -6.298 -2.422 -0.001) 6.748 6.269 ( 6.298 2.422 -0.001) 6.748 6.583 ( 0.512 -4.342 -2.973) 5.287 6.583 ( -0.512 4.342 -2.973) 5.287 7.196 ( 11.617 -11.202 -3.720) 16.562 7.196 ( -11.617 11.202 -3.720) 16.562 8.150 ( -22.734 -7.786 -2.530) 24.163 8.150 ( 22.734 7.786 -2.530) 24.163 8.484 ( -6.044 -4.287 1.421) 7.545 8.484 ( 6.044 4.287 1.421) 7.545 10.150 ( 0.721 -5.136 1.577) 5.421 10.150 ( -0.721 5.136 1.577) 5.421 10.656 ( 9.277 -9.206 -7.148) 14.897 10.656 ( -9.277 9.206 -7.148) 14.897 11.161 ( 0.431 -2.848 0.130) 2.883 11.161 ( -0.431 2.848 0.130) 2.883 13.109 ( -0.217 -4.791 4.240) 6.401 13.109 ( 0.217 4.791 4.240) 6.401 13.724 ( 0.423 -5.857 4.434) 7.359 13.724 ( -0.423 5.857 4.434) 7.359 14.465 ( -2.298 -0.618 0.711) 2.483 14.465 ( 2.298 0.618 0.711) 2.483 15.366 ( -22.220 -7.073 -5.592) 23.979 15.366 ( 22.220 7.073 -5.592) 23.979 16.526 ( -1.092 -3.629 -1.315) 4.012 16.526 ( 1.092 3.629 -1.315) 4.012 ======================= Grid point 148 (48/105) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 4.807 0.000 24.217) 24.690 1.445 ( 13.259 0.000 21.605) 25.349 1.587 ( 1.271 0.000 24.394) 24.428 2.022 ( 21.185 0.000 12.611) 24.654 2.649 ( -0.490 -0.000 0.631) 0.799 2.704 ( -6.688 -0.000 14.733) 16.180 2.880 ( 2.465 0.000 6.946) 7.370 3.046 ( 3.680 0.000 5.077) 6.270 3.209 ( -5.574 -0.000 1.544) 5.784 3.265 ( 12.593 0.000 -7.917) 14.875 3.340 ( -2.035 -0.000 8.947) 9.175 3.714 ( 5.604 0.000 11.179) 12.505 3.861 ( -6.595 -0.000 -7.901) 10.292 4.099 ( 9.535 0.000 3.545) 10.172 4.417 ( -6.129 -0.000 5.638) 8.328 4.663 ( 4.304 0.000 0.683) 4.358 4.756 ( -16.612 -0.000 -3.500) 16.977 5.015 ( 4.696 0.000 0.841) 4.770 5.310 ( 9.971 0.000 -0.365) 9.977 5.475 ( 13.742 0.000 1.104) 13.786 5.894 ( -27.762 -0.000 1.495) 27.802 6.152 ( 2.466 0.000 -7.175) 7.587 6.226 ( 13.790 0.000 -5.870) 14.988 6.337 ( 2.450 0.000 -2.616) 3.584 6.362 ( -0.294 -0.000 -2.507) 2.524 6.448 ( -0.225 -0.000 -4.506) 4.511 6.797 ( 4.077 0.000 -8.339) 9.282 7.432 ( 34.867 0.000 -21.131) 40.770 7.909 ( 0.932 0.000 -5.351) 5.431 8.418 ( -8.562 -0.000 1.564) 8.704 8.665 ( -5.136 -0.000 3.866) 6.428 8.758 ( -14.484 -0.000 -0.172) 14.485 9.917 ( -0.833 -0.000 -1.229) 1.485 9.983 ( 11.508 0.000 -9.375) 14.844 10.470 ( -10.131 -0.000 -4.423) 11.054 10.971 ( 2.618 0.000 4.092) 4.858 11.184 ( -0.720 -0.000 -0.132) 0.732 11.417 ( 3.666 0.000 -14.379) 14.839 12.971 ( -0.051 -0.000 2.591) 2.592 13.179 ( 3.027 0.000 9.308) 9.788 13.596 ( 1.065 0.000 3.354) 3.519 13.632 ( -0.143 -0.000 -6.396) 6.398 14.394 ( 10.297 0.000 -7.320) 12.634 14.453 ( -1.205 -0.000 1.325) 1.791 14.688 ( 6.598 0.000 2.752) 7.149 16.407 ( 1.619 0.000 -1.201) 2.016 16.472 ( -26.223 -0.000 13.291) 29.399 16.601 ( -11.406 -0.000 5.956) 12.868 ======================= Grid point 149 (49/105) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 11.393 8.273 18.438) 23.200 1.666 ( 3.686 -7.312 20.310) 21.899 1.755 ( 9.146 -14.890 19.160) 25.932 2.231 ( 1.019 6.278 -1.603) 6.559 2.580 ( -7.416 -1.111 6.127) 9.683 2.627 ( 3.059 -2.619 2.405) 4.690 2.940 ( 2.207 5.122 10.680) 12.048 3.026 ( -1.287 4.443 3.669) 5.905 3.126 ( 3.976 2.402 5.225) 6.992 3.275 ( -5.100 -5.435 3.285) 8.145 3.452 ( 1.591 -0.849 6.250) 6.505 3.786 ( -5.780 -4.563 -5.808) 9.379 4.090 ( 28.773 2.685 0.243) 28.899 4.149 ( 7.508 3.384 1.546) 8.379 4.326 ( -13.424 10.221 -2.112) 17.004 4.495 ( 6.699 -2.732 3.045) 7.849 4.735 ( -2.612 -4.252 0.392) 5.006 5.170 ( 8.301 -2.329 1.979) 8.846 5.332 ( -37.155 -0.856 1.134) 37.182 5.452 ( 6.806 1.793 0.678) 7.071 5.716 ( 9.580 -2.846 -1.265) 10.074 6.169 ( 1.384 2.330 -5.364) 6.010 6.267 ( -0.765 3.084 -3.230) 4.531 6.345 ( -0.806 0.942 -1.666) 2.077 6.423 ( 1.413 -3.739 -2.065) 4.499 6.598 ( 12.261 -4.025 -7.125) 14.741 6.796 ( -0.403 -0.193 -3.017) 3.050 7.624 ( -6.236 2.208 -7.187) 9.768 8.103 ( 24.914 11.607 -10.876) 29.559 8.285 ( -10.058 -2.673 1.155) 10.471 8.504 ( -14.944 -1.887 -0.413) 15.068 8.593 ( -2.064 1.715 0.821) 2.806 9.930 ( -1.004 -5.515 0.144) 5.608 10.211 ( 13.834 -0.946 -6.890) 15.484 10.329 ( -5.928 -0.203 -2.789) 6.555 11.000 ( 0.886 1.422 2.045) 2.644 11.149 ( -3.072 0.612 -0.738) 3.218 11.370 ( -3.108 6.918 -12.290) 14.441 12.983 ( 0.270 -1.956 2.605) 3.268 13.225 ( 2.853 1.156 8.931) 9.447 13.563 ( -0.609 1.737 1.028) 2.108 13.710 ( -0.414 -8.357 -1.593) 8.518 14.437 ( -0.753 -0.391 1.008) 1.317 14.481 ( -0.369 -0.293 1.331) 1.412 14.908 ( 18.878 -0.772 -8.287) 20.632 15.911 ( -29.107 2.066 15.393) 32.991 16.434 ( 0.307 -1.692 -1.509) 2.288 16.595 ( 1.812 1.429 -0.500) 2.361 ======================= Grid point 150 (50/105) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 14.062 -0.241 10.234) 17.394 1.853 ( 5.635 -10.709 15.199) 19.428 2.007 ( -8.369 12.828 -4.334) 15.917 2.051 ( 6.496 -14.675 14.854) 21.868 2.490 ( -0.877 5.017 6.739) 8.447 2.689 ( -2.907 11.389 4.512) 12.591 2.832 ( 2.182 -2.929 3.867) 5.319 3.047 ( 0.887 1.129 3.198) 3.505 3.169 ( -4.498 -1.636 1.124) 4.917 3.272 ( 8.090 1.848 1.981) 8.532 3.538 ( 2.885 -8.802 7.729) 12.064 3.740 ( -7.449 -6.788 -5.111) 11.300 3.922 ( -15.664 6.615 2.443) 17.178 4.056 ( -4.715 3.951 1.109) 6.250 4.590 ( -17.241 -0.968 -0.830) 17.288 4.701 ( -19.379 -1.874 1.028) 19.497 4.742 ( 15.745 2.255 -0.822) 15.927 4.834 ( 31.012 2.814 0.944) 31.154 5.289 ( 1.341 -3.787 0.921) 4.121 5.466 ( -1.947 2.937 0.417) 3.549 5.868 ( 3.031 -4.873 -3.885) 6.930 6.121 ( -2.998 4.398 -3.899) 6.598 6.219 ( -4.942 -1.803 -0.474) 5.282 6.337 ( 3.693 3.257 -0.746) 4.980 6.493 ( 2.291 -3.244 -2.364) 4.622 6.681 ( 0.474 4.255 -3.480) 5.517 6.954 ( 9.920 -10.014 -3.462) 14.514 7.406 ( -12.191 7.075 -4.715) 14.863 8.010 ( -24.752 -4.517 -2.294) 25.265 8.307 ( 9.221 4.786 0.570) 10.405 8.418 ( 0.083 -1.508 3.021) 3.377 8.623 ( 13.365 8.084 -4.669) 16.302 9.998 ( 0.192 -7.688 1.121) 7.771 10.223 ( -2.772 1.777 0.855) 3.402 10.501 ( 13.985 -4.316 -5.876) 15.772 10.892 ( -7.542 9.852 -5.367) 13.518 11.109 ( -1.797 -2.103 0.288) 2.781 11.241 ( -3.656 4.461 -3.652) 6.827 13.019 ( 0.294 -3.464 2.690) 4.396 13.228 ( 1.432 5.116 7.568) 9.247 13.572 ( -0.358 -5.267 1.879) 5.604 13.762 ( -1.161 -3.438 2.429) 4.366 14.418 ( -6.287 -2.573 5.963) 9.039 14.449 ( -1.206 -1.666 0.441) 2.103 15.188 ( 1.927 -4.812 -3.292) 6.141 15.590 ( 5.032 8.337 -6.899) 11.934 16.451 ( -1.292 -2.861 -1.992) 3.718 16.596 ( 0.805 2.469 -0.826) 2.725 ======================= Grid point 151 (51/105) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -11.566 12.640 -2.658) 17.338 1.944 ( 11.901 1.066 3.117) 12.349 2.100 ( 4.657 -10.388 11.359) 16.082 2.235 ( -0.790 -9.671 12.049) 15.471 2.403 ( 1.110 17.662 13.796) 22.439 2.550 ( 7.732 3.597 8.283) 11.888 2.888 ( -3.750 -5.530 -1.656) 6.884 2.998 ( -3.496 2.959 3.345) 5.672 3.142 ( 1.926 0.952 0.448) 2.194 3.352 ( -1.083 3.886 -2.693) 4.851 3.598 ( -12.206 -2.066 0.037) 12.379 3.712 ( -10.692 -10.810 -5.578) 16.196 3.740 ( 4.049 -11.299 8.498) 14.707 3.966 ( -3.952 2.005 3.028) 5.367 4.013 ( -29.103 -0.381 1.632) 29.151 4.560 ( -5.361 1.852 -0.256) 5.678 4.985 ( 16.174 4.276 0.077) 16.730 5.256 ( -4.323 -4.245 -0.807) 6.112 5.338 ( -5.871 3.309 0.230) 6.743 5.461 ( 31.538 3.420 -0.419) 31.725 5.901 ( -6.139 -3.723 -5.506) 9.048 5.989 ( -6.029 3.930 -1.456) 7.342 6.153 ( -4.644 -2.693 -0.005) 5.368 6.389 ( 4.290 1.108 -0.589) 4.470 6.532 ( -2.340 -2.175 -3.817) 4.977 6.654 ( 3.229 4.651 -0.776) 5.715 7.094 ( -13.640 8.279 -3.926) 16.432 7.204 ( 1.430 -12.189 -1.089) 12.321 7.631 ( -24.005 -4.717 -8.470) 25.889 8.419 ( 8.032 0.235 3.121) 8.620 8.456 ( 4.070 0.178 3.192) 5.175 8.796 ( 17.380 9.361 -0.832) 19.758 10.090 ( 0.602 -6.652 0.654) 6.711 10.178 ( -0.480 1.630 1.629) 2.354 10.596 ( -9.436 11.139 -6.938) 16.163 10.780 ( 11.202 -3.971 -3.703) 12.448 11.110 ( -2.364 -3.131 0.246) 3.931 11.154 ( -3.069 1.102 0.511) 3.300 13.057 ( -0.544 -3.268 3.750) 5.004 13.176 ( 0.524 6.045 5.224) 8.007 13.643 ( -0.823 -7.054 1.007) 7.173 13.763 ( 0.466 0.279 7.439) 7.458 14.319 ( -10.617 -6.353 5.933) 13.722 14.458 ( -0.888 -1.785 -0.474) 2.050 15.039 ( -11.877 2.527 -2.707) 12.441 15.900 ( 30.445 3.893 -15.912) 34.572 16.456 ( -2.302 -3.653 -2.204) 4.848 16.569 ( -0.153 3.092 -1.126) 3.294 ======================= Grid point 152 (52/105) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -10.682 12.548 0.937) 16.505 1.830 ( -19.554 6.569 8.594) 22.346 2.098 ( -0.739 16.713 13.121) 21.261 2.362 ( 10.785 -0.155 8.489) 13.726 2.440 ( 6.202 -8.826 15.811) 19.140 2.716 ( 7.017 0.708 9.380) 11.735 2.876 ( -4.641 -5.437 3.110) 7.796 2.914 ( -0.500 3.933 3.135) 5.054 3.026 ( -25.910 -5.474 -8.684) 27.869 3.173 ( 3.565 4.117 4.907) 7.331 3.512 ( -6.656 -0.663 0.925) 6.753 3.570 ( -2.205 1.048 -2.097) 3.218 3.863 ( -4.396 -10.019 0.221) 10.943 3.930 ( -2.507 -9.447 4.430) 10.731 4.013 ( 8.963 -12.127 3.048) 15.384 4.463 ( -1.018 5.900 -1.748) 6.237 5.075 ( -5.340 5.350 -0.170) 7.561 5.161 ( -10.620 -5.346 -1.620) 12.000 5.260 ( 10.668 5.863 -0.054) 12.173 5.689 ( -10.513 6.311 0.976) 12.301 5.883 ( -3.172 -5.781 -7.895) 10.287 5.951 ( 14.230 0.390 0.771) 14.256 6.146 ( 0.513 -3.651 -2.803) 4.632 6.419 ( 0.347 1.194 -1.954) 2.316 6.462 ( -10.360 -1.123 -5.131) 11.615 6.634 ( 0.413 6.837 0.083) 6.850 6.806 ( -9.519 6.211 -2.933) 11.738 7.079 ( -25.233 -9.418 -2.712) 27.069 7.566 ( 5.038 -6.395 -8.014) 11.424 8.529 ( 7.810 3.142 0.930) 8.469 8.567 ( 6.455 -2.851 4.481) 8.359 8.959 ( 13.407 7.810 2.089) 15.656 10.111 ( -4.335 3.941 -4.740) 7.536 10.142 ( -1.787 0.089 -0.826) 1.971 10.408 ( 0.592 2.914 -3.255) 4.409 10.954 ( 3.383 -1.475 1.540) 3.999 11.098 ( -2.212 -5.021 -0.568) 5.516 11.134 ( -0.456 -1.981 0.442) 2.080 13.061 ( -0.558 1.054 4.904) 5.047 13.133 ( -0.618 1.537 4.179) 4.495 13.651 ( -1.483 0.769 2.809) 3.268 13.816 ( 2.717 -3.892 4.888) 6.813 14.215 ( -11.535 -7.582 1.735) 13.913 14.448 ( -1.962 -0.898 -0.656) 2.255 14.847 ( -4.806 6.735 -4.064) 9.218 16.353 ( 19.645 -0.630 -9.839) 21.980 16.462 ( -1.528 -3.350 -1.736) 4.071 16.563 ( 9.391 1.937 -3.630) 10.253 ======================= Grid point 153 (53/105) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -6.189 3.557 12.964) 14.799 1.312 ( -29.164 8.408 12.370) 32.776 1.897 ( -0.268 16.775 19.585) 25.788 2.403 ( 0.526 11.491 9.758) 15.084 2.492 ( -10.444 2.660 4.255) 11.587 2.681 ( -2.447 -2.308 19.374) 19.664 2.782 ( 0.560 -4.153 2.935) 5.116 2.845 ( -2.672 -1.211 4.973) 5.774 3.118 ( 9.832 -6.148 2.657) 11.897 3.240 ( 5.809 -1.614 0.365) 6.040 3.458 ( -3.499 -3.782 3.468) 6.211 3.584 ( 4.930 1.409 -2.986) 5.933 3.827 ( -6.619 -3.163 8.285) 11.066 4.073 ( -2.912 -20.604 -1.656) 20.875 4.372 ( 6.386 -9.205 5.358) 12.419 4.417 ( 17.098 5.379 -7.491) 19.426 4.877 ( -8.224 4.729 0.065) 9.487 5.067 ( -7.219 -5.202 -3.011) 9.394 5.392 ( 2.054 7.638 0.775) 7.947 5.438 ( -0.127 5.776 0.465) 5.796 5.795 ( -20.374 -10.229 -10.631) 25.155 5.946 ( -20.044 -6.527 -8.774) 22.833 6.246 ( -3.010 5.010 -0.759) 5.894 6.313 ( 12.543 2.867 0.235) 12.869 6.378 ( -4.126 1.594 -2.805) 5.238 6.516 ( -11.015 7.659 -1.732) 13.528 6.607 ( 1.116 4.992 -0.247) 5.121 6.930 ( -3.390 -4.488 -2.666) 6.224 7.728 ( 3.507 -8.252 -5.104) 10.317 8.609 ( 5.468 3.105 -0.019) 6.289 8.687 ( 4.024 -2.588 4.933) 6.872 9.057 ( 7.500 6.046 2.189) 9.879 9.924 ( -6.812 6.440 -10.054) 13.747 10.122 ( 1.150 4.790 -1.928) 5.290 10.497 ( 4.880 -6.110 -3.393) 8.524 10.944 ( -1.894 0.800 4.784) 5.208 11.111 ( -3.192 -4.312 -1.312) 5.523 11.187 ( 1.348 -3.120 0.842) 3.501 13.032 ( 0.440 3.379 3.308) 4.749 13.112 ( -1.761 -1.051 6.715) 7.021 13.616 ( -0.278 2.396 3.879) 4.568 13.893 ( 3.364 0.870 -0.737) 3.552 14.103 ( -9.867 -5.291 -4.466) 12.054 14.432 ( -1.048 -1.399 0.968) 1.999 14.730 ( -1.036 6.382 0.046) 6.465 16.423 ( -0.663 1.929 -1.431) 2.492 16.456 ( -1.629 -2.891 -1.895) 3.821 16.971 ( 23.549 -7.820 -8.223) 26.140 ======================= Grid point 154 (54/105) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 7.591 17.213) 18.812 1.003 ( -0.000 -10.818 26.474) 28.599 1.731 ( 0.000 12.958 23.796) 27.095 2.156 ( 0.000 28.948 25.301) 38.447 2.380 ( -0.000 -3.331 -8.097) 8.755 2.706 ( -0.000 -2.570 25.363) 25.493 2.821 ( -0.000 -2.727 4.893) 5.601 2.856 ( -0.000 -2.361 3.331) 4.082 3.292 ( -0.000 -6.019 3.655) 7.042 3.340 ( -0.000 -4.012 -4.397) 5.952 3.449 ( -0.000 -2.713 7.636) 8.104 3.661 ( -0.000 -0.961 -3.788) 3.908 3.781 ( -0.000 -4.037 13.317) 13.915 4.258 ( -0.000 -18.416 -1.303) 18.462 4.308 ( 0.000 12.573 -5.929) 13.901 4.739 ( 0.000 4.094 0.899) 4.192 4.983 ( -0.000 -4.028 -3.393) 5.266 5.011 ( -0.000 -18.568 -8.786) 20.542 5.207 ( 0.000 1.900 3.808) 4.255 5.377 ( 0.000 3.802 1.075) 3.951 5.577 ( 0.000 3.795 -1.387) 4.040 5.764 ( 0.000 4.559 -8.305) 9.474 6.207 ( 0.000 4.598 -10.718) 11.663 6.273 ( -0.000 -0.799 3.617) 3.705 6.395 ( 0.000 3.266 -1.157) 3.465 6.397 ( 0.000 2.074 1.112) 2.354 6.575 ( 0.000 4.541 -1.573) 4.805 6.953 ( -0.000 -3.146 -2.544) 4.046 7.849 ( -0.000 -8.408 -3.852) 9.249 8.625 ( 0.000 2.683 -0.154) 2.688 8.747 ( -0.000 -2.082 5.204) 5.605 9.063 ( 0.000 4.356 1.130) 4.500 9.802 ( 0.000 4.646 -11.237) 12.159 10.065 ( 0.000 7.159 -2.555) 7.601 10.642 ( -0.000 -9.507 -8.843) 12.984 10.918 ( 0.000 0.505 5.409) 5.432 11.109 ( -0.000 -1.966 -0.417) 2.010 11.216 ( -0.000 -1.409 1.508) 2.064 13.003 ( 0.000 2.525 1.949) 3.189 13.106 ( -0.000 -0.936 9.061) 9.110 13.590 ( 0.000 2.109 3.757) 4.309 13.842 ( 0.000 12.477 -6.996) 14.305 14.090 ( -0.000 -7.559 -5.677) 9.453 14.446 ( -0.000 -2.289 2.188) 3.166 14.663 ( 0.000 4.472 3.923) 5.949 16.391 ( 0.000 2.024 -0.988) 2.252 16.474 ( -0.000 -2.575 -1.055) 2.783 17.309 ( -0.000 -11.551 -7.137) 13.578 ======================= Grid point 157 (55/105) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 9.893 0.000 14.802) 17.803 1.715 ( 7.238 0.000 16.721) 18.220 1.826 ( 10.806 0.000 16.969) 20.118 2.297 ( -0.076 -0.000 -9.659) 9.659 2.383 ( -7.920 -0.000 -1.757) 8.113 2.734 ( 6.433 0.000 0.678) 6.469 3.029 ( 4.511 0.000 10.327) 11.269 3.034 ( -7.861 -0.000 4.075) 8.854 3.110 ( -1.284 -0.000 1.880) 2.277 3.250 ( 4.804 0.000 7.004) 8.493 3.445 ( 1.468 0.000 6.385) 6.551 3.654 ( -6.841 -0.000 -5.624) 8.856 4.009 ( -25.124 -0.000 -1.299) 25.158 4.086 ( -4.482 -0.000 6.819) 8.160 4.595 ( 2.739 0.000 -1.926) 3.348 4.661 ( -41.807 -0.000 1.283) 41.827 4.776 ( 21.929 0.000 -0.552) 21.936 4.872 ( 34.331 0.000 0.138) 34.332 5.242 ( 0.967 0.000 1.659) 1.920 5.500 ( -2.310 -0.000 0.855) 2.463 5.810 ( 3.146 0.000 -4.220) 5.263 6.182 ( -2.007 -0.000 -3.530) 4.061 6.188 ( -6.449 -0.000 -1.306) 6.580 6.378 ( 0.806 0.000 -0.737) 1.093 6.459 ( 4.198 0.000 -2.967) 5.141 6.781 ( 0.331 0.000 -0.731) 0.803 6.782 ( 11.371 0.000 -6.256) 12.978 7.486 ( -11.437 -0.000 -5.375) 12.637 7.960 ( -25.145 -0.000 -1.830) 25.211 8.344 ( -1.706 -0.000 3.537) 3.926 8.412 ( 5.604 0.000 2.471) 6.125 8.743 ( 16.405 0.000 -9.082) 18.751 9.893 ( 0.516 0.000 1.142) 1.254 10.241 ( -3.679 -0.000 0.284) 3.690 10.455 ( 15.197 0.000 -4.979) 15.992 11.021 ( -0.082 -0.000 1.234) 1.237 11.069 ( -7.270 -0.000 -3.648) 8.134 11.312 ( -7.485 -0.000 -8.695) 11.473 12.972 ( 0.030 0.000 2.362) 2.362 13.277 ( 2.785 0.000 9.164) 9.578 13.598 ( -0.845 -0.000 5.667) 5.730 13.621 ( -0.706 -0.000 -3.780) 3.846 14.392 ( -9.096 -0.000 10.481) 13.877 14.422 ( -0.461 -0.000 0.124) 0.478 15.142 ( 3.748 0.000 -2.435) 4.470 15.687 ( 5.220 0.000 -6.942) 8.685 16.417 ( -1.323 -0.000 -2.361) 2.706 16.624 ( 0.678 0.000 -0.667) 0.951 ======================= Grid point 158 (56/105) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.468 4.847 8.058) 10.878 1.890 ( 9.752 -5.423 11.961) 16.358 2.008 ( 3.427 -8.480 11.674) 14.831 2.143 ( 3.953 15.963 -7.081) 17.905 2.488 ( 5.250 -10.943 -4.480) 12.937 2.771 ( -5.373 -1.394 -0.682) 5.593 2.832 ( -0.203 16.275 5.984) 17.342 3.051 ( -2.261 0.580 5.797) 6.249 3.136 ( 1.707 -1.095 -2.428) 3.164 3.359 ( 2.368 -10.269 8.438) 13.500 3.474 ( -15.424 2.663 -0.790) 15.672 3.546 ( -8.613 -3.836 -3.971) 10.231 3.594 ( -11.515 -4.600 0.464) 12.409 4.002 ( -5.002 1.160 9.389) 10.701 4.045 ( -28.491 1.585 2.618) 28.655 4.591 ( -1.358 0.839 -2.631) 3.078 5.049 ( 16.839 1.481 0.292) 16.906 5.190 ( -7.545 -1.594 -0.059) 7.712 5.390 ( -4.638 1.294 0.018) 4.816 5.526 ( 33.908 1.913 -1.049) 33.978 5.815 ( -4.220 -2.489 -6.199) 7.902 6.069 ( -7.214 1.615 -0.857) 7.442 6.104 ( -7.563 -0.974 -0.362) 7.634 6.389 ( 0.233 -0.722 1.645) 1.812 6.504 ( 0.479 -0.105 -4.164) 4.192 6.778 ( 4.339 5.774 0.074) 7.222 6.966 ( 1.862 -7.767 -1.890) 8.208 7.255 ( -13.570 4.078 -4.888) 14.989 7.553 ( -21.844 -2.258 -6.643) 22.943 8.389 ( 5.284 -1.111 4.949) 7.325 8.488 ( 5.939 1.060 2.599) 6.569 8.984 ( 15.947 5.901 -2.842) 17.239 9.943 ( 1.899 -4.780 1.788) 5.445 10.203 ( -0.755 0.538 1.749) 1.979 10.695 ( 11.910 -0.717 -1.748) 12.059 10.858 ( -9.525 7.954 -6.122) 13.837 11.036 ( -2.449 -3.671 -0.143) 4.415 11.183 ( -6.407 1.017 -1.036) 6.570 12.988 ( 0.106 -2.390 2.164) 3.226 13.307 ( 2.247 3.476 9.087) 9.985 13.536 ( -0.994 1.283 0.836) 1.826 13.683 ( -1.043 -7.652 3.946) 8.672 14.217 ( -12.509 -2.122 14.208) 19.048 14.424 ( -0.261 -1.011 -0.641) 1.226 15.074 ( -6.559 0.821 -1.870) 6.870 15.981 ( 25.557 2.429 -23.250) 34.636 16.394 ( -2.348 -1.651 -2.968) 4.128 16.619 ( -0.263 1.257 -1.509) 1.982 ======================= Grid point 159 (57/105) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -5.084 18.973 -6.517) 20.695 1.971 ( -9.905 5.764 6.297) 13.076 2.140 ( 8.764 -9.146 11.212) 16.917 2.278 ( 14.066 -2.249 2.258) 14.422 2.590 ( -2.322 14.703 12.583) 19.491 2.696 ( -0.609 0.948 6.009) 6.114 2.728 ( -4.421 -9.591 -7.735) 13.090 2.874 ( -27.225 -6.422 -2.983) 28.131 3.013 ( 1.322 3.729 0.713) 4.020 3.255 ( 1.142 0.865 -1.497) 2.072 3.436 ( -6.290 -7.660 -3.324) 10.454 3.563 ( 4.815 -3.502 -0.987) 6.035 3.672 ( 0.625 -9.433 3.316) 10.018 3.723 ( -8.892 -0.316 6.341) 10.926 3.904 ( -5.758 -0.149 8.178) 10.003 4.562 ( 0.836 2.980 -3.682) 4.810 5.054 ( -11.193 -3.541 -1.355) 11.818 5.172 ( -5.556 3.108 0.236) 6.370 5.360 ( 12.811 3.181 0.157) 13.201 5.712 ( -13.548 -3.689 -5.669) 15.143 5.850 ( -4.086 3.009 -1.574) 5.313 5.958 ( -7.727 -0.655 -0.034) 7.755 6.087 ( 18.094 -1.008 -0.744) 18.137 6.389 ( -3.232 -2.549 5.086) 6.543 6.476 ( -2.542 1.396 -5.558) 6.269 6.787 ( 4.419 6.375 0.471) 7.772 6.899 ( -12.421 -1.736 0.185) 12.543 6.987 ( -13.919 3.796 -3.720) 14.899 7.436 ( 1.218 -5.444 -10.290) 11.705 8.511 ( 6.584 -2.115 5.243) 8.678 8.588 ( 7.690 2.002 0.873) 7.994 9.139 ( 12.183 7.785 2.158) 14.618 10.040 ( 2.070 -6.036 1.132) 6.481 10.189 ( -0.211 2.248 0.188) 2.265 10.564 ( -8.758 9.123 -2.535) 12.898 10.905 ( 6.934 -2.715 0.071) 7.447 11.030 ( -2.768 -2.155 0.422) 3.533 11.095 ( -3.203 -1.249 1.584) 3.785 13.021 ( 0.182 -2.859 2.809) 4.012 13.260 ( 0.464 7.976 7.359) 10.862 13.558 ( -0.387 -5.918 -1.803) 6.199 13.743 ( 0.227 -4.930 9.514) 10.717 14.057 ( -11.271 -5.188 11.442) 16.879 14.427 ( -0.857 -0.886 -1.151) 1.687 14.964 ( -3.715 3.608 -5.925) 7.868 16.357 ( 14.947 0.542 -18.383) 23.699 16.386 ( 2.432 -2.802 -5.130) 6.331 16.612 ( 4.072 1.946 -7.514) 8.765 ======================= Grid point 160 (58/105) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -4.191 21.127 -6.760) 22.574 1.550 ( -24.548 13.089 7.016) 28.691 2.252 ( -1.777 5.169 6.360) 8.386 2.338 ( -13.239 0.807 3.187) 13.641 2.472 ( 7.052 -3.846 12.711) 15.036 2.626 ( 5.069 -5.617 6.651) 10.074 2.784 ( -2.958 -1.757 1.618) 3.802 2.832 ( 1.135 -2.763 -1.284) 3.252 3.065 ( 6.764 0.650 1.826) 7.036 3.248 ( 1.974 2.578 2.855) 4.324 3.406 ( -3.253 1.043 3.269) 4.728 3.624 ( 0.373 -1.938 2.144) 2.914 3.652 ( -1.366 -10.027 -4.421) 11.044 3.792 ( -5.406 -1.860 7.308) 9.278 3.984 ( 7.864 -20.047 0.615) 21.543 4.567 ( 5.208 3.998 -7.651) 10.082 4.924 ( -9.236 -3.165 -1.860) 9.939 5.007 ( -6.846 2.946 0.757) 7.492 5.437 ( -23.795 -5.619 -2.517) 24.579 5.540 ( 10.418 5.248 -0.481) 11.675 5.705 ( -6.517 3.029 0.613) 7.213 5.837 ( -7.731 -3.953 -5.818) 10.452 6.319 ( -0.819 1.189 4.647) 4.866 6.386 ( 11.493 2.792 1.374) 11.906 6.413 ( -3.182 1.695 -5.835) 6.859 6.701 ( -9.443 8.148 -2.965) 12.820 6.746 ( 0.306 7.645 1.880) 7.879 6.832 ( -1.520 -3.743 -2.391) 4.694 7.559 ( 2.998 -7.274 -8.375) 11.491 8.629 ( 4.186 -2.563 5.251) 7.188 8.675 ( 5.427 2.691 -0.265) 6.064 9.212 ( 6.922 7.759 3.746) 11.052 10.092 ( -4.287 8.159 -7.413) 11.828 10.126 ( 1.222 -3.987 -0.768) 4.240 10.434 ( -0.213 0.712 4.141) 4.207 10.966 ( -1.418 1.010 4.314) 4.652 11.007 ( -1.792 -4.874 -0.297) 5.201 11.127 ( 2.242 -2.666 1.560) 3.817 13.052 ( 0.310 -2.026 4.221) 4.692 13.173 ( -0.568 7.186 5.369) 8.988 13.612 ( -0.601 -4.243 -1.854) 4.669 13.808 ( 1.930 -3.956 8.101) 9.220 13.972 ( -7.435 -7.432 8.441) 13.483 14.415 ( -1.083 -0.285 -1.134) 1.594 14.873 ( -1.263 5.582 -5.708) 8.083 16.380 ( -1.323 -3.136 -3.735) 5.053 16.475 ( 0.029 1.890 -2.129) 2.847 16.835 ( 15.895 -4.253 -23.833) 28.961 ======================= Grid point 161 (59/105) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 16.663 -0.759) 16.681 1.135 ( 0.000 12.252 12.131) 17.241 2.089 ( 0.000 18.312 15.909) 24.257 2.261 ( -0.000 -7.546 -4.757) 8.920 2.614 ( -0.000 -5.765 20.657) 21.446 2.643 ( 0.000 8.753 7.262) 11.373 2.788 ( -0.000 -2.451 2.094) 3.224 2.830 ( 0.000 4.162 7.016) 8.158 3.146 ( -0.000 -4.495 0.435) 4.516 3.269 ( -0.000 -0.439 4.042) 4.066 3.376 ( -0.000 -3.650 2.312) 4.320 3.692 ( 0.000 2.430 -7.083) 7.488 3.707 ( -0.000 -2.022 12.855) 13.013 3.806 ( -0.000 -20.409 -1.782) 20.486 4.306 ( -0.000 -16.997 4.768) 17.653 4.686 ( -0.000 -5.385 -22.703) 23.333 4.825 ( 0.000 2.183 1.294) 2.538 4.920 ( -0.000 -0.558 -2.322) 2.388 5.196 ( -0.000 -2.187 4.674) 5.161 5.511 ( 0.000 7.075 2.031) 7.361 5.664 ( 0.000 4.293 -0.122) 4.295 5.792 ( -0.000 -1.349 -7.095) 7.222 6.299 ( 0.000 1.892 6.340) 6.617 6.324 ( 0.000 4.478 -10.201) 11.140 6.461 ( 0.000 3.578 1.559) 3.903 6.522 ( 0.000 8.115 -1.527) 8.257 6.685 ( 0.000 5.819 0.946) 5.895 6.868 ( -0.000 -4.156 -2.427) 4.813 7.668 ( -0.000 -7.828 -6.708) 10.309 8.691 ( 0.000 3.015 -0.530) 3.061 8.693 ( -0.000 -2.594 5.204) 5.815 9.190 ( 0.000 6.994 3.279) 7.724 9.950 ( 0.000 8.656 -9.848) 13.111 10.159 ( 0.000 0.079 -1.892) 1.893 10.470 ( -0.000 -4.789 1.543) 5.032 10.935 ( 0.000 1.040 5.025) 5.131 11.043 ( -0.000 -4.091 -0.046) 4.091 11.175 ( -0.000 -2.273 1.944) 2.991 13.077 ( -0.000 -1.751 5.915) 6.169 13.093 ( 0.000 5.825 3.740) 6.922 13.628 ( 0.000 0.083 2.107) 2.109 13.897 ( -0.000 -8.029 -1.976) 8.269 13.962 ( -0.000 -2.487 7.113) 7.535 14.409 ( -0.000 -0.701 -0.065) 0.704 14.796 ( 0.000 6.680 -3.040) 7.339 16.404 ( -0.000 -3.428 -2.934) 4.512 16.444 ( 0.000 2.597 -1.257) 2.885 17.063 ( -0.000 -9.487 -20.153) 22.275 ======================= Grid point 166 (60/105) ======================= q-point: ( 0.38 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 5.869 0.000 7.184) 9.277 1.947 ( -2.681 -0.000 5.551) 6.165 2.048 ( 10.716 0.000 5.912) 12.239 2.371 ( 6.194 0.000 -3.342) 7.038 2.432 ( -0.130 -0.000 -13.726) 13.727 2.711 ( 1.852 0.000 0.348) 1.884 2.749 ( -42.149 -0.000 0.475) 42.151 2.932 ( -9.502 -0.000 4.321) 10.438 3.042 ( 8.074 0.000 -1.769) 8.266 3.246 ( 1.345 0.000 -9.542) 9.636 3.291 ( 0.852 0.000 13.066) 13.094 3.425 ( -6.135 -0.000 1.280) 6.267 3.629 ( 4.250 0.000 -4.227) 5.994 3.752 ( -10.117 -0.000 5.280) 11.412 3.911 ( -6.950 -0.000 11.555) 13.484 4.595 ( 0.944 0.000 -3.594) 3.716 5.015 ( -11.109 -0.000 -0.832) 11.140 5.207 ( -5.162 -0.000 0.290) 5.170 5.396 ( 13.408 0.000 0.261) 13.411 5.663 ( -14.573 -0.000 -6.023) 15.769 5.898 ( -12.555 -0.000 -2.465) 12.794 5.933 ( -6.620 -0.000 0.817) 6.670 6.085 ( 24.137 0.000 0.689) 24.147 6.355 ( -2.904 -0.000 7.152) 7.719 6.493 ( -1.765 -0.000 -5.703) 5.969 6.836 ( -8.267 -0.000 -1.255) 8.361 6.903 ( 4.625 0.000 2.537) 5.275 7.051 ( -13.526 -0.000 -4.401) 14.223 7.361 ( -1.031 -0.000 -10.924) 10.973 8.485 ( 6.605 0.000 5.570) 8.640 8.611 ( 7.679 0.000 0.833) 7.724 9.240 ( 11.340 0.000 1.716) 11.469 9.959 ( 2.953 0.000 2.815) 4.079 10.213 ( 1.440 0.000 2.135) 2.575 10.706 ( -12.736 -0.000 -3.155) 13.121 10.851 ( 5.315 0.000 0.540) 5.342 11.000 ( 1.676 0.000 -0.445) 1.734 11.083 ( -5.645 -0.000 2.191) 6.055 12.980 ( 0.641 0.000 1.473) 1.607 13.374 ( 3.271 0.000 8.225) 8.852 13.562 ( -1.019 -0.000 8.920) 8.978 13.576 ( -2.087 -0.000 -0.027) 2.087 14.011 ( -10.534 -0.000 14.343) 17.796 14.416 ( -0.188 -0.000 -1.324) 1.337 15.003 ( -3.281 -0.000 -6.888) 7.630 16.347 ( -2.181 -0.000 -3.641) 4.244 16.372 ( 18.132 0.000 -23.349) 29.563 16.635 ( 3.017 0.000 -8.682) 9.191 ======================= Grid point 168 (61/105) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -10.560 15.794 2.370) 19.146 1.908 ( -6.792 18.210 -5.584) 20.222 2.067 ( -18.554 -11.521 3.210) 22.075 2.281 ( 7.327 -3.687 4.863) 9.536 2.470 ( 4.459 -10.120 -4.365) 11.890 2.610 ( 3.979 -3.946 -2.088) 5.981 2.701 ( -7.812 5.663 0.649) 9.671 2.785 ( 1.638 -0.470 -3.123) 3.558 3.118 ( 3.863 7.183 1.203) 8.244 3.272 ( 0.445 1.660 4.269) 4.602 3.317 ( 0.146 -6.801 -2.040) 7.102 3.497 ( 3.357 -18.331 1.221) 18.676 3.635 ( -1.977 5.364 0.116) 5.718 3.682 ( 1.408 0.639 2.332) 2.798 3.791 ( -6.620 -1.022 6.345) 9.227 4.618 ( 2.434 1.078 -5.191) 5.833 4.861 ( -7.828 -1.549 -1.172) 8.066 5.080 ( -6.472 2.395 2.389) 7.303 5.325 ( -23.772 -3.282 -0.981) 24.017 5.622 ( 11.794 2.088 -0.061) 11.978 5.755 ( -4.782 -0.580 -4.829) 6.821 5.794 ( -6.532 0.897 2.508) 7.054 6.316 ( -1.711 -0.663 8.412) 8.609 6.416 ( 11.748 0.543 0.653) 11.779 6.451 ( -0.489 1.087 -6.750) 6.855 6.758 ( -2.477 -1.661 -1.729) 3.448 6.831 ( -9.641 3.181 -3.699) 10.806 6.931 ( 2.479 6.248 2.436) 7.150 7.417 ( 2.366 -4.816 -10.637) 11.913 8.585 ( 4.240 -1.173 5.604) 7.125 8.718 ( 5.432 1.063 -0.476) 5.556 9.361 ( 6.430 4.514 4.077) 8.851 10.024 ( 2.072 -3.498 2.693) 4.877 10.230 ( 1.521 3.328 -2.023) 4.181 10.493 ( -8.092 3.437 4.006) 9.661 10.894 ( -1.090 -4.047 -0.315) 4.203 10.999 ( -2.680 1.297 3.617) 4.684 11.073 ( 3.132 -1.915 2.021) 4.191 13.002 ( 0.627 -1.711 1.466) 2.339 13.369 ( 1.159 9.369 10.035) 13.777 13.508 ( -0.432 -2.029 -3.101) 3.731 13.658 ( -0.189 -10.779 12.011) 16.140 13.877 ( -6.265 -0.667 10.909) 12.598 14.412 ( -0.395 -0.054 -1.698) 1.744 14.956 ( -1.363 1.884 -8.810) 9.112 16.326 ( -1.248 -1.437 -3.980) 4.412 16.504 ( 1.190 0.692 -3.846) 4.085 16.782 ( 11.262 -0.941 -31.279) 33.258 ======================= Grid point 169 (62/105) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 13.630 6.807) 15.235 1.586 ( 0.000 26.700 -13.826) 30.068 2.054 ( -0.000 -10.978 -0.152) 10.979 2.453 ( 0.000 11.613 5.272) 12.753 2.474 ( -0.000 -6.148 14.678) 15.914 2.647 ( -0.000 -5.683 1.288) 5.827 2.720 ( -0.000 -5.250 -3.272) 6.186 2.793 ( -0.000 -1.556 -5.599) 5.811 3.093 ( 0.000 0.344 2.423) 2.447 3.286 ( -0.000 -5.166 0.871) 5.238 3.454 ( -0.000 -9.453 2.671) 9.823 3.469 ( 0.000 13.257 7.334) 15.150 3.697 ( 0.000 0.439 5.872) 5.889 3.728 ( -0.000 -1.450 1.002) 1.762 3.805 ( -0.000 -22.372 -8.429) 23.907 4.647 ( -0.000 -0.469 -10.765) 10.775 4.808 ( -0.000 -1.777 -1.062) 2.070 4.976 ( 0.000 3.737 1.853) 4.171 5.134 ( -0.000 -3.189 4.312) 5.363 5.645 ( 0.000 4.699 1.997) 5.105 5.748 ( -0.000 -2.017 -5.008) 5.399 5.748 ( 0.000 2.897 0.574) 2.953 6.312 ( -0.000 -0.678 7.811) 7.840 6.392 ( 0.000 1.963 -8.612) 8.833 6.529 ( 0.000 2.193 1.404) 2.604 6.692 ( 0.000 6.123 -2.974) 6.807 6.764 ( -0.000 -2.121 -1.215) 2.444 6.871 ( 0.000 7.677 1.427) 7.809 7.505 ( -0.000 -6.930 -9.442) 11.713 8.639 ( -0.000 -2.047 5.507) 5.875 8.748 ( 0.000 1.999 -0.856) 2.174 9.351 ( 0.000 6.919 4.531) 8.270 10.088 ( -0.000 -4.721 1.081) 4.843 10.158 ( 0.000 9.321 -8.117) 12.360 10.424 ( -0.000 -0.549 9.171) 9.188 10.935 ( -0.000 -5.355 -0.381) 5.368 10.961 ( 0.000 1.305 4.468) 4.654 11.124 ( -0.000 -2.185 2.594) 3.392 13.030 ( -0.000 -2.278 2.536) 3.409 13.263 ( 0.000 9.704 7.987) 12.568 13.552 ( -0.000 -5.215 -4.747) 7.052 13.791 ( -0.000 -11.431 15.060) 18.907 13.819 ( -0.000 -0.012 7.531) 7.531 14.407 ( 0.000 0.157 -1.641) 1.648 14.914 ( 0.000 3.714 -7.965) 8.788 16.337 ( -0.000 -2.465 -3.962) 4.667 16.493 ( 0.000 1.693 -1.570) 2.309 16.915 ( -0.000 -4.094 -31.993) 32.254 ======================= Grid point 177 (63/105) ======================= q-point: (-0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 0.000 1.270) 1.270 1.855 ( -0.000 -0.000 5.145) 5.145 2.049 ( -0.000 -0.000 -5.066) 5.066 2.351 ( 0.000 0.000 -15.960) 15.960 2.396 ( -0.000 -0.000 11.831) 11.831 2.589 ( 0.000 0.000 -7.916) 7.916 2.684 ( 0.000 0.000 0.360) 0.360 2.815 ( -0.000 -0.000 -4.923) 4.923 3.203 ( -0.000 -0.000 0.560) 0.560 3.272 ( -0.000 -0.000 8.731) 8.731 3.337 ( 0.000 0.000 -2.319) 2.319 3.374 ( 0.000 0.000 5.049) 5.049 3.656 ( 0.000 0.000 -0.019) 0.019 3.705 ( -0.000 -0.000 2.670) 2.670 3.719 ( -0.000 -0.000 -2.599) 2.599 4.645 ( -0.000 -0.000 -5.513) 5.513 4.786 ( -0.000 -0.000 -1.010) 1.010 5.041 ( 0.000 0.000 3.954) 3.954 5.075 ( -0.000 -0.000 2.773) 2.773 5.707 ( 0.000 0.000 -6.625) 6.625 5.715 ( -0.000 -0.000 4.420) 4.420 5.781 ( -0.000 -0.000 0.774) 0.774 6.298 ( 0.000 0.000 8.831) 8.831 6.413 ( -0.000 -0.000 -8.213) 8.213 6.553 ( -0.000 -0.000 1.177) 1.177 6.733 ( -0.000 -0.000 -1.654) 1.654 6.762 ( -0.000 -0.000 -3.322) 3.322 6.990 ( -0.000 -0.000 2.940) 2.940 7.408 ( -0.000 -0.000 -11.217) 11.217 8.615 ( -0.000 -0.000 5.660) 5.660 8.771 ( -0.000 -0.000 -1.007) 1.007 9.440 ( 0.000 0.000 4.553) 4.553 10.023 ( 0.000 0.000 3.566) 3.566 10.282 ( 0.000 0.000 -7.140) 7.140 10.419 ( -0.000 -0.000 11.349) 11.349 10.858 ( -0.000 -0.000 -0.902) 0.902 10.980 ( 0.000 0.000 4.026) 4.026 11.095 ( -0.000 -0.000 3.063) 3.063 12.999 ( -0.000 -0.000 0.827) 0.827 13.484 ( 0.000 0.000 14.275) 14.275 13.488 ( 0.000 0.000 -4.987) 4.987 13.545 ( -0.000 -0.000 12.148) 12.148 13.826 ( -0.000 -0.000 9.324) 9.324 14.409 ( -0.000 -0.000 -1.900) 1.900 14.955 ( -0.000 -0.000 -9.930) 9.930 16.308 ( -0.000 -0.000 -4.127) 4.127 16.513 ( -0.000 -0.000 -1.709) 1.709 16.873 ( -0.000 -0.000 -36.035) 36.035 ======================= Grid point 207 (64/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 0.000 18.305) 18.305 1.853 ( 0.000 0.000 20.769) 20.769 2.102 ( 0.000 0.000 23.431) 23.431 2.198 ( 0.000 0.000 -12.082) 12.082 2.251 ( 0.000 0.000 25.272) 25.272 2.951 ( 0.000 0.000 3.555) 3.555 2.954 ( 0.000 0.000 2.613) 2.613 3.281 ( 0.000 0.000 25.586) 25.586 3.297 ( 0.000 0.000 -3.320) 3.320 3.340 ( 0.000 0.000 -1.247) 1.247 3.707 ( 0.000 0.000 10.518) 10.518 3.791 ( 0.000 0.000 -13.535) 13.535 3.959 ( 0.000 0.000 13.384) 13.384 4.119 ( 0.000 0.000 14.043) 14.043 4.476 ( 0.000 0.000 -0.362) 0.362 4.688 ( 0.000 0.000 0.172) 0.172 4.967 ( 0.000 0.000 -4.715) 4.715 5.077 ( 0.000 0.000 -14.368) 14.368 5.218 ( 0.000 0.000 3.063) 3.063 5.369 ( 0.000 0.000 0.820) 0.820 5.439 ( 0.000 0.000 -13.031) 13.031 5.478 ( 0.000 0.000 -1.187) 1.187 5.932 ( 0.000 0.000 -11.732) 11.732 6.336 ( 0.000 0.000 -0.923) 0.923 6.349 ( 0.000 0.000 -3.832) 3.832 6.407 ( 0.000 0.000 7.821) 7.821 6.459 ( 0.000 0.000 0.031) 0.031 6.923 ( 0.000 0.000 -4.302) 4.302 7.888 ( 0.000 0.000 -3.767) 3.767 8.596 ( 0.000 0.000 0.275) 0.275 8.875 ( 0.000 0.000 4.329) 4.329 9.011 ( 0.000 0.000 0.058) 0.058 9.551 ( 0.000 0.000 -7.692) 7.692 9.932 ( 0.000 0.000 -1.056) 1.056 10.474 ( 0.000 0.000 -13.260) 13.260 10.991 ( 0.000 0.000 2.429) 2.429 11.118 ( 0.000 0.000 -0.496) 0.496 11.258 ( 0.000 0.000 1.067) 1.067 13.019 ( 0.000 0.000 2.523) 2.523 13.324 ( 0.000 0.000 9.146) 9.146 13.482 ( 0.000 0.000 -7.276) 7.276 13.642 ( 0.000 0.000 4.608) 4.608 14.043 ( 0.000 0.000 -7.140) 7.140 14.506 ( 0.000 0.000 1.108) 1.108 14.740 ( 0.000 0.000 5.202) 5.202 16.348 ( 0.000 0.000 -0.854) 0.854 16.501 ( 0.000 0.000 -0.005) 0.005 17.399 ( 0.000 0.000 -2.912) 2.912 ======================= Grid point 208 (65/105) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 23.437 -1.547 16.433) 28.666 1.750 ( 1.665 14.139 22.005) 26.209 2.110 ( -1.380 -3.629 21.788) 22.131 2.325 ( 9.585 -4.112 -1.881) 10.598 2.400 ( 10.050 -11.083 11.118) 18.640 2.899 ( -4.625 2.478 1.064) 5.354 2.951 ( -0.932 -0.768 2.753) 3.006 3.204 ( -6.560 4.069 6.238) 9.925 3.235 ( -5.758 0.372 4.500) 7.317 3.335 ( 0.139 1.408 11.658) 11.744 3.599 ( -6.702 5.651 5.030) 10.107 3.694 ( -1.712 6.969 -2.606) 7.635 4.020 ( -3.670 -8.750 5.156) 10.799 4.134 ( 3.279 2.523 10.251) 11.055 4.451 ( 3.413 11.693 -0.748) 12.204 4.681 ( -14.349 7.629 -0.554) 16.261 4.784 ( 7.482 -3.649 0.484) 8.338 5.077 ( 6.119 2.992 -5.597) 8.816 5.166 ( -14.308 -7.829 -5.782) 17.304 5.354 ( 8.085 -5.042 3.075) 10.012 5.751 ( 16.853 4.166 -8.122) 19.167 5.813 ( 27.725 -0.456 -9.209) 29.218 6.032 ( 12.766 0.780 -11.777) 17.386 6.295 ( -12.857 -1.341 1.424) 13.005 6.345 ( -0.101 -1.876 -0.527) 1.951 6.411 ( 1.101 -4.625 -2.895) 5.567 6.449 ( 2.280 -2.671 4.952) 6.071 6.935 ( 3.625 1.772 -4.276) 5.880 7.833 ( -2.848 5.544 -3.484) 7.140 8.561 ( -4.818 -1.316 0.479) 5.017 8.824 ( -4.550 2.258 3.541) 6.192 8.971 ( -7.703 -4.233 0.819) 8.828 9.636 ( 8.239 -2.768 -7.280) 11.338 9.955 ( -0.725 -5.187 -0.820) 5.301 10.427 ( -3.887 1.685 -10.122) 10.973 11.003 ( 1.178 -0.256 2.140) 2.456 11.139 ( 2.650 0.983 -1.195) 3.068 11.244 ( -1.385 1.190 -0.224) 1.840 13.033 ( 0.510 -1.705 3.057) 3.537 13.318 ( 0.658 1.281 7.557) 7.693 13.532 ( -0.245 -6.581 -6.258) 9.085 13.676 ( 2.408 -3.268 4.270) 5.891 14.065 ( 5.474 3.127 -7.799) 10.028 14.495 ( -0.831 0.517 1.205) 1.552 14.741 ( 0.137 0.170 4.158) 4.164 16.365 ( 1.230 -0.973 -0.910) 1.813 16.502 ( 1.403 2.030 -0.181) 2.474 17.167 ( -20.352 9.163 -0.246) 22.321 ======================= Grid point 209 (66/105) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 4.784 12.022 21.006) 24.671 1.904 ( 16.530 -3.184 9.146) 19.158 2.139 ( -1.918 -6.631 16.134) 17.549 2.459 ( -5.459 -9.678 10.979) 15.621 2.703 ( 1.328 -1.179 4.720) 5.044 2.816 ( 0.212 -2.342 -2.352) 3.326 3.003 ( 17.843 2.587 -5.490) 18.847 3.042 ( -3.698 8.579 5.672) 10.929 3.141 ( -1.561 2.745 4.733) 5.690 3.273 ( -3.832 4.052 12.817) 13.978 3.509 ( 0.436 -0.415 3.165) 3.222 3.631 ( 3.389 3.650 -1.205) 5.124 3.989 ( -5.917 -0.993 0.659) 6.036 4.098 ( 0.600 9.973 0.716) 10.016 4.382 ( -6.675 12.383 3.142) 14.414 4.446 ( 5.048 2.233 3.352) 6.458 4.926 ( -3.979 -8.756 -0.591) 9.636 5.101 ( 2.748 -6.042 -0.902) 6.698 5.229 ( 12.693 4.226 -2.818) 13.671 5.582 ( 9.688 -6.309 2.203) 11.769 5.845 ( -3.081 4.508 -6.225) 8.281 5.970 ( -14.052 0.468 -0.247) 14.062 6.153 ( 4.181 1.166 -4.550) 6.288 6.218 ( 13.644 -0.415 -8.264) 15.957 6.392 ( 2.342 -4.239 0.776) 4.905 6.448 ( -2.052 -6.249 -2.526) 7.046 6.665 ( 8.937 -2.631 -3.147) 9.833 7.122 ( 26.793 3.502 -6.091) 27.699 7.681 ( -4.801 10.120 -2.733) 11.529 8.483 ( -6.587 -2.504 1.141) 7.139 8.686 ( -8.681 2.434 1.834) 9.200 8.850 ( -13.679 -5.861 1.898) 15.002 9.866 ( 13.946 -4.960 -6.061) 15.994 10.016 ( -0.751 -8.085 -0.111) 8.121 10.336 ( -4.226 2.064 -5.201) 7.012 11.016 ( -0.820 0.789 1.332) 1.752 11.166 ( 1.641 1.417 -0.700) 2.278 11.173 ( -3.052 3.340 -2.253) 5.054 13.072 ( 0.780 -3.535 4.256) 5.587 13.317 ( 1.796 3.549 6.688) 7.781 13.587 ( -2.107 -8.039 -4.050) 9.245 13.765 ( 2.350 -2.639 0.688) 3.600 14.193 ( 13.088 0.303 -7.726) 15.201 14.476 ( -0.754 0.179 1.049) 1.304 14.746 ( 0.973 -0.392 1.654) 1.959 16.383 ( -3.009 1.550 -0.738) 3.464 16.493 ( -0.117 3.821 0.056) 3.824 16.637 ( -23.627 9.871 1.684) 25.662 ======================= Grid point 210 (67/105) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 10.274 5.840 14.135) 18.425 2.034 ( -7.141 1.467 2.672) 7.764 2.229 ( 5.315 -7.537 7.656) 11.986 2.385 ( -7.066 -7.904 9.243) 14.065 2.724 ( -0.035 1.648 4.552) 4.842 2.734 ( -8.546 -1.691 8.261) 12.006 2.909 ( 0.846 4.926 6.208) 7.970 3.121 ( 2.750 6.967 4.317) 8.645 3.166 ( -1.766 0.488 2.791) 3.338 3.276 ( 2.806 0.456 -1.866) 3.401 3.588 ( 6.620 -1.242 1.106) 6.826 3.824 ( 10.096 -6.426 -2.262) 12.179 3.877 ( 1.331 13.684 -5.778) 14.913 4.097 ( 18.941 2.630 1.972) 19.224 4.138 ( -6.833 8.226 6.587) 12.559 4.584 ( 10.801 0.610 3.383) 11.335 4.859 ( -11.753 -6.317 -0.890) 13.372 5.272 ( 5.877 -3.006 1.249) 6.718 5.335 ( -9.611 2.862 -0.777) 10.058 5.412 ( -16.560 -0.244 0.341) 16.565 5.801 ( 6.163 -5.917 -0.814) 8.583 5.956 ( 4.636 5.198 -4.073) 8.068 6.195 ( 3.971 1.127 -0.694) 4.186 6.321 ( -1.180 -1.447 -2.863) 3.418 6.436 ( 0.993 -2.457 -3.581) 4.455 6.543 ( 0.648 -2.258 -3.945) 4.592 6.829 ( 9.769 -8.212 -2.116) 12.936 7.410 ( -7.702 6.706 -4.337) 11.095 7.662 ( 34.911 11.391 -3.522) 36.891 8.399 ( -10.717 -3.761 2.379) 11.604 8.511 ( -8.361 -0.407 -0.500) 8.386 8.664 ( -13.928 -3.349 2.099) 14.478 10.082 ( 1.940 -5.457 -0.178) 5.794 10.203 ( 14.559 -9.228 -4.150) 17.730 10.249 ( -2.951 3.030 -1.312) 4.428 10.872 ( -11.296 6.679 -1.264) 13.184 11.136 ( 0.288 -0.945 -0.353) 1.049 11.173 ( 1.305 2.398 -0.670) 2.811 13.135 ( 0.922 -5.338 5.381) 7.635 13.285 ( 0.818 6.277 6.462) 9.046 13.656 ( -1.494 -9.783 -3.323) 10.439 13.785 ( 1.322 3.856 -2.175) 4.620 14.413 ( 8.881 -0.391 -2.065) 9.126 14.474 ( 0.401 -0.588 -0.021) 0.712 14.853 ( 11.567 -6.247 -2.768) 13.434 15.895 ( -29.893 14.436 1.286) 33.221 16.473 ( -0.476 -3.137 -0.974) 3.319 16.513 ( 1.891 4.043 -1.359) 4.666 ======================= Grid point 211 (68/105) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -14.492 0.513 6.151) 15.751 1.799 ( 14.492 -0.513 6.151) 15.751 2.377 ( -5.416 -6.374 2.595) 8.757 2.377 ( 5.416 6.374 2.595) 8.757 2.656 ( -3.780 -6.187 13.766) 15.558 2.656 ( 3.780 6.187 13.766) 15.558 2.999 ( -0.929 -6.230 1.354) 6.443 2.999 ( 0.929 6.230 1.354) 6.443 3.227 ( -6.825 -2.667 0.927) 7.386 3.227 ( 6.825 2.667 0.927) 7.386 3.721 ( 2.905 -6.985 -5.914) 9.602 3.721 ( -2.905 6.985 -5.914) 9.602 3.965 ( 1.258 -8.287 6.796) 10.791 3.965 ( -1.258 8.287 6.796) 10.791 4.633 ( -30.850 -3.037 -0.598) 31.005 4.633 ( 30.850 3.037 -0.598) 31.005 4.800 ( -23.501 -3.470 0.959) 23.775 4.800 ( 23.501 3.470 0.959) 23.775 5.394 ( 0.396 -4.074 1.068) 4.231 5.394 ( -0.396 4.074 1.068) 4.231 5.928 ( -0.694 -6.269 -2.949) 6.963 5.928 ( 0.694 6.269 -2.949) 6.963 6.267 ( -5.108 -2.595 -0.191) 5.732 6.267 ( 5.108 2.595 -0.191) 5.732 6.505 ( -1.915 -3.356 -4.417) 5.869 6.505 ( 1.915 3.356 -4.417) 5.869 7.130 ( 11.969 -10.580 -2.631) 16.191 7.130 ( -11.969 10.580 -2.631) 16.191 8.113 ( -29.092 -7.574 -1.085) 30.081 8.113 ( 29.092 7.574 -1.085) 30.081 8.512 ( -3.699 -1.376 1.254) 4.141 8.512 ( 3.699 1.376 1.254) 4.141 10.166 ( -1.670 -6.062 -0.111) 6.289 10.166 ( 1.670 6.062 -0.111) 6.289 10.558 ( 11.460 -6.725 -2.535) 13.527 10.558 ( -11.460 6.725 -2.535) 13.527 11.159 ( -0.149 -2.122 -0.243) 2.142 11.159 ( 0.149 2.122 -0.243) 2.142 13.214 ( 0.051 -6.771 6.104) 9.116 13.214 ( -0.051 6.771 6.104) 9.116 13.737 ( -2.733 -9.381 -3.078) 10.244 13.737 ( 2.733 9.381 -3.078) 10.244 14.477 ( -0.253 -0.953 0.248) 1.016 14.477 ( 0.253 0.953 0.248) 1.016 15.281 ( -5.224 -5.144 -2.477) 7.739 15.281 ( 5.224 5.144 -2.477) 7.739 16.498 ( -1.544 -4.040 -1.353) 4.531 16.498 ( 1.544 4.040 -1.353) 4.531 ======================= Grid point 217 (69/105) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 16.061 0.000 14.068) 21.351 1.839 ( 0.216 0.000 17.204) 17.205 2.067 ( -1.701 -0.000 22.135) 22.200 2.275 ( -0.283 -0.000 11.611) 11.614 2.718 ( 10.232 0.000 5.669) 11.697 2.763 ( -13.204 -0.000 -1.172) 13.256 3.033 ( 20.755 0.000 -11.258) 23.611 3.139 ( -3.849 -0.000 5.732) 6.905 3.151 ( -1.757 -0.000 2.449) 3.014 3.365 ( 1.201 0.000 17.427) 17.468 3.516 ( -5.491 -0.000 7.813) 9.549 3.668 ( -4.471 -0.000 -10.238) 11.172 3.946 ( 0.807 0.000 10.834) 10.864 4.207 ( 2.658 0.000 6.299) 6.837 4.490 ( -1.608 -0.000 1.847) 2.449 4.677 ( -18.872 -0.000 -4.532) 19.409 4.688 ( 2.485 0.000 1.217) 2.767 5.025 ( 9.870 0.000 0.171) 9.871 5.280 ( 12.948 0.000 -2.689) 13.224 5.503 ( 11.073 0.000 1.586) 11.186 5.894 ( -22.552 -0.000 -2.115) 22.651 5.999 ( 6.696 0.000 -6.609) 9.408 6.098 ( 8.267 0.000 -4.988) 9.656 6.292 ( 5.409 0.000 -3.081) 6.225 6.332 ( -0.149 -0.000 -1.536) 1.544 6.350 ( 0.248 0.000 -4.017) 4.025 6.638 ( 11.538 0.000 -4.991) 12.571 7.163 ( 26.474 0.000 -7.746) 27.584 7.813 ( -2.365 -0.000 -4.248) 4.862 8.452 ( -6.962 -0.000 1.595) 7.142 8.743 ( -6.847 -0.000 3.431) 7.659 8.754 ( -15.104 -0.000 -0.206) 15.105 9.807 ( 13.761 0.000 -6.146) 15.071 9.914 ( -0.331 -0.000 -0.701) 0.775 10.364 ( -4.219 -0.000 -5.641) 7.044 11.024 ( 1.290 0.000 1.400) 1.903 11.178 ( -0.484 -0.000 -0.438) 0.653 11.225 ( -1.279 -0.000 -5.457) 5.604 13.033 ( 0.540 0.000 3.569) 3.609 13.326 ( 0.444 0.000 2.557) 2.595 13.533 ( 2.621 0.000 -1.329) 2.939 13.690 ( 2.274 0.000 5.798) 6.228 14.213 ( 10.733 0.000 -9.871) 14.582 14.476 ( -1.597 -0.000 0.884) 1.825 14.746 ( 0.492 0.000 2.529) 2.577 16.383 ( 1.211 0.000 -1.070) 1.616 16.540 ( 0.844 0.000 0.283) 0.890 16.767 ( -31.409 -0.000 5.727) 31.927 ======================= Grid point 218 (70/105) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 5.122 9.090 16.099) 19.184 2.050 ( 6.114 -5.483 10.869) 13.622 2.058 ( 0.112 -1.925 12.515) 12.663 2.241 ( -8.717 -3.762 6.361) 11.428 2.564 ( -10.978 -6.918 -3.018) 13.323 2.739 ( -0.802 0.458 5.797) 5.870 3.086 ( -1.932 3.740 2.589) 4.942 3.161 ( 2.926 0.886 5.456) 6.254 3.261 ( -1.756 3.486 3.351) 5.145 3.335 ( 0.792 5.051 6.396) 8.188 3.560 ( 5.037 -0.030 4.846) 6.990 3.663 ( 0.739 -7.507 -3.926) 8.504 4.113 ( 25.189 4.202 2.224) 25.634 4.185 ( 0.403 5.377 0.444) 5.410 4.295 ( -15.310 5.773 -0.583) 16.373 4.561 ( 5.468 -3.217 3.342) 7.171 4.748 ( 0.418 -2.486 0.714) 2.620 5.213 ( 9.068 -1.739 2.110) 9.471 5.347 ( -37.328 -0.415 0.178) 37.330 5.460 ( 8.280 2.344 0.084) 8.606 5.688 ( 6.117 -3.241 -1.292) 7.042 6.060 ( 3.714 3.241 -4.530) 6.694 6.199 ( 0.785 -0.503 -3.778) 3.892 6.316 ( 1.351 1.427 -1.210) 2.308 6.378 ( 1.132 -2.766 -2.468) 3.876 6.469 ( 10.777 -3.589 -4.697) 12.292 6.724 ( 2.534 -1.550 -3.777) 4.806 7.486 ( 1.053 1.353 -5.596) 5.853 7.919 ( 27.638 8.418 -6.810) 29.683 8.330 ( -12.251 -2.037 2.937) 12.762 8.487 ( -13.620 -1.121 -1.253) 13.723 8.634 ( -6.638 -0.188 2.317) 7.034 9.931 ( -0.004 -5.243 0.001) 5.243 10.089 ( 17.409 -2.085 -4.745) 18.164 10.304 ( -2.044 1.329 -0.483) 2.485 11.008 ( -3.854 4.673 -1.287) 6.193 11.108 ( -4.510 -1.549 -2.961) 5.613 11.220 ( 0.544 1.494 -2.894) 3.302 13.051 ( 0.297 -2.236 4.139) 4.714 13.356 ( 1.332 -2.204 1.281) 2.876 13.543 ( 0.969 3.669 0.583) 3.840 13.765 ( 2.481 -5.046 5.660) 7.978 14.408 ( 11.101 0.017 -7.820) 13.579 14.452 ( -1.429 -0.751 0.394) 1.662 14.783 ( 5.625 -0.846 -3.406) 6.630 16.147 ( -32.661 7.169 7.935) 34.367 16.407 ( -1.138 -2.432 -1.061) 2.887 16.580 ( 1.444 1.688 -0.952) 2.417 ======================= Grid point 219 (71/105) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 5.858 4.441 10.731) 13.007 1.911 ( -8.352 8.681 -1.684) 12.164 2.143 ( -0.027 -10.660 8.597) 13.695 2.308 ( 4.552 -8.905 9.260) 13.630 2.551 ( -4.220 -9.282 2.065) 10.403 2.734 ( -0.142 -0.093 1.547) 1.556 2.976 ( -3.451 6.826 7.096) 10.434 3.109 ( -3.304 1.956 2.500) 4.582 3.226 ( -4.429 3.766 4.210) 7.178 3.303 ( 6.789 3.168 0.850) 7.540 3.594 ( -2.968 -3.939 -4.796) 6.879 3.741 ( -1.446 -8.314 7.492) 11.285 3.911 ( -13.031 5.441 -1.712) 14.224 4.137 ( -0.484 6.481 4.907) 8.143 4.584 ( -18.771 -1.228 0.355) 18.815 4.702 ( 24.840 2.261 -1.278) 24.975 4.719 ( -20.263 -2.816 -0.684) 20.469 4.874 ( 21.130 2.843 2.363) 21.451 5.315 ( -0.122 -2.841 1.615) 3.270 5.481 ( -1.533 3.518 1.203) 4.022 5.791 ( -0.054 -5.439 -3.542) 6.491 6.050 ( 0.032 4.484 -2.834) 5.305 6.203 ( -3.084 -2.869 -1.107) 4.355 6.330 ( 3.769 2.703 -0.050) 4.639 6.432 ( 1.454 -2.600 -3.473) 4.575 6.587 ( 3.893 3.628 -5.301) 7.511 6.894 ( 9.998 -9.918 -2.280) 14.266 7.319 ( -11.565 6.111 -3.552) 13.554 7.988 ( -29.195 -3.746 -0.123) 29.434 8.298 ( 21.401 7.958 -1.195) 22.864 8.465 ( 5.491 -1.757 1.590) 5.981 8.566 ( 3.445 2.528 -0.919) 4.371 10.006 ( 0.464 -7.179 -0.078) 7.195 10.264 ( 0.440 2.783 2.282) 3.626 10.422 ( 17.767 -3.988 -1.646) 18.283 10.777 ( -11.293 10.393 -5.360) 16.257 11.102 ( -1.549 -3.266 -0.807) 3.704 11.199 ( -1.046 1.472 -0.909) 2.022 13.093 ( 0.201 -4.428 4.572) 6.368 13.376 ( 1.464 5.127 5.902) 7.954 13.530 ( -1.467 -4.586 -3.748) 6.102 13.843 ( 2.562 -0.849 4.060) 4.876 14.445 ( -0.955 -1.692 -0.092) 1.945 14.493 ( -0.388 0.499 0.825) 1.039 15.032 ( 17.088 -7.788 -9.957) 21.256 15.556 ( -24.739 10.075 2.066) 26.791 16.412 ( -2.223 -3.388 -1.734) 4.408 16.574 ( 0.604 2.646 -1.180) 2.960 ======================= Grid point 220 (72/105) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -13.037 4.541 4.073) 14.394 2.035 ( 12.242 1.681 5.197) 13.406 2.238 ( -2.507 -6.262 0.705) 6.782 2.477 ( 1.759 -13.042 10.262) 16.689 2.590 ( 5.864 6.042 4.359) 9.481 2.721 ( -0.057 -2.220 5.450) 5.885 2.886 ( -4.516 -4.068 4.755) 7.717 3.077 ( -2.125 4.941 5.105) 7.416 3.134 ( 1.565 -1.905 -1.115) 2.706 3.316 ( -7.045 4.198 -0.777) 8.238 3.572 ( -7.764 -5.379 -4.181) 10.329 3.602 ( -12.534 -6.654 -3.828) 14.698 3.915 ( 2.252 -8.626 8.703) 12.458 3.991 ( -23.091 4.360 -1.206) 23.530 4.105 ( -2.988 3.435 6.510) 7.944 4.561 ( -8.205 -1.306 0.883) 8.355 4.982 ( 14.851 4.622 -0.513) 15.562 5.244 ( -5.056 -3.333 -0.168) 6.058 5.348 ( -4.376 2.795 0.931) 5.276 5.456 ( 28.822 2.750 -0.414) 28.956 5.801 ( -5.730 -5.341 -3.854) 8.730 5.965 ( -3.487 5.131 -1.020) 6.287 6.150 ( -6.498 -2.731 -0.167) 7.051 6.361 ( 0.958 1.922 -3.667) 4.250 6.459 ( 0.450 -0.434 -1.515) 1.639 6.613 ( 5.361 4.737 -3.119) 7.804 7.027 ( -13.127 8.582 -2.455) 15.875 7.176 ( 7.523 -12.560 -1.658) 14.734 7.511 ( -31.910 -3.562 -3.404) 32.288 8.469 ( 8.909 1.720 2.003) 9.292 8.509 ( 3.314 0.292 1.694) 3.734 8.787 ( 21.220 7.248 -0.016) 22.424 10.083 ( -0.019 -4.993 -0.608) 5.030 10.233 ( -1.912 2.800 3.217) 4.674 10.471 ( -7.617 13.048 -5.589) 16.109 10.746 ( 15.047 -4.518 0.124) 15.711 11.108 ( -2.325 -3.303 -0.388) 4.058 11.159 ( -1.930 0.767 0.096) 2.079 13.148 ( -0.186 -5.257 5.241) 7.426 13.303 ( 0.362 9.004 7.207) 11.538 13.585 ( -2.415 -9.519 -5.596) 11.303 13.865 ( 2.903 4.831 1.549) 5.845 14.420 ( -6.119 0.144 1.947) 6.423 14.460 ( -1.570 -1.634 1.768) 2.874 15.009 ( -17.184 5.606 -0.064) 18.075 15.596 ( 25.320 -10.393 -12.798) 30.214 16.411 ( -2.894 -4.484 -2.060) 5.720 16.543 ( -0.682 2.744 -1.320) 3.120 ======================= Grid point 221 (73/105) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -8.486 -3.447 13.644) 16.433 1.992 ( -14.389 4.705 7.193) 16.761 2.275 ( 3.939 3.481 3.652) 6.400 2.584 ( 2.417 1.018 11.605) 11.898 2.693 ( 5.124 -5.086 5.926) 9.340 2.783 ( -7.927 -4.940 -6.786) 11.545 2.873 ( -15.122 -1.577 1.329) 15.262 2.958 ( 3.624 -9.649 5.513) 11.689 3.024 ( -1.730 1.669 6.326) 6.767 3.256 ( 4.046 -1.567 2.845) 5.188 3.511 ( -5.371 -2.516 -3.139) 6.711 3.547 ( -3.787 -3.174 2.143) 5.386 3.792 ( -2.902 -9.040 -5.075) 10.765 4.017 ( 2.864 -2.577 0.370) 3.870 4.153 ( 3.194 -6.927 10.954) 13.348 4.440 ( -6.020 0.995 0.598) 6.130 5.078 ( -3.426 4.263 0.030) 5.469 5.125 ( -11.100 -3.449 -1.290) 11.695 5.243 ( 6.848 6.045 -1.751) 9.301 5.705 ( -9.643 -1.700 -1.996) 9.993 5.753 ( -2.940 2.280 -1.882) 4.169 5.970 ( 5.402 -0.109 0.853) 5.470 6.082 ( 3.405 -2.142 -3.296) 5.201 6.284 ( -6.430 3.121 -8.232) 10.901 6.467 ( 0.418 2.185 2.603) 3.424 6.614 ( 1.553 8.010 -1.913) 8.381 6.758 ( -8.147 5.754 -1.667) 10.113 7.028 ( -25.073 -4.474 -2.099) 25.555 7.450 ( 6.749 -10.027 -3.782) 12.665 8.546 ( 6.099 2.913 0.635) 6.789 8.637 ( 7.697 -2.112 2.398) 8.334 9.005 ( 15.210 8.114 2.314) 17.393 10.008 ( -10.827 7.433 -4.444) 13.864 10.142 ( -1.322 0.144 0.796) 1.550 10.359 ( 5.112 6.827 -2.325) 8.840 10.982 ( 7.274 -2.368 1.436) 7.784 11.094 ( -2.910 -3.031 0.067) 4.203 11.141 ( 0.339 -1.281 0.147) 1.333 13.177 ( -0.433 2.241 6.622) 7.004 13.230 ( -0.471 0.582 5.407) 5.459 13.642 ( -2.159 -7.455 -3.724) 8.608 13.841 ( 2.772 7.415 -2.206) 8.218 14.242 ( -12.388 3.311 0.566) 12.836 14.458 ( -0.877 -1.599 1.665) 2.470 14.783 ( -4.257 3.048 -2.203) 5.680 16.164 ( 21.987 -15.952 -7.569) 28.200 16.422 ( -1.787 -4.691 -2.085) 5.435 16.509 ( 0.747 0.062 -2.021) 2.155 ======================= Grid point 222 (74/105) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -3.241 -11.420 22.348) 25.305 1.580 ( -25.296 4.371 13.755) 29.123 2.240 ( -0.616 5.595 9.124) 10.721 2.325 ( -16.572 0.118 -4.639) 17.209 2.692 ( 0.557 6.888 7.378) 10.109 2.825 ( 4.388 -3.742 1.794) 6.039 2.957 ( 3.811 -1.140 5.663) 6.921 3.071 ( 4.624 -7.187 10.241) 13.338 3.173 ( 6.530 -4.839 6.338) 10.306 3.291 ( 1.508 -1.031 6.914) 7.151 3.505 ( 2.412 -2.674 -1.681) 3.974 3.544 ( -1.693 -4.327 2.190) 5.137 3.938 ( -1.097 -16.525 -2.929) 16.818 4.104 ( 4.264 -3.568 3.573) 6.609 4.258 ( -1.901 -2.439 -1.625) 3.493 4.440 ( 6.686 -10.343 1.287) 12.383 4.895 ( -8.012 5.488 1.608) 9.844 4.986 ( -9.804 -4.324 -4.271) 11.535 5.357 ( 12.675 8.130 -3.488) 15.457 5.488 ( -12.707 3.649 3.113) 13.582 5.645 ( -12.131 -2.126 -4.114) 12.985 5.773 ( -17.013 -2.854 -7.862) 18.958 6.102 ( -7.782 5.652 -10.450) 14.202 6.335 ( 13.156 2.327 1.857) 13.489 6.421 ( -0.116 4.461 3.114) 5.442 6.522 ( -7.117 5.129 3.168) 9.327 6.574 ( 0.816 7.919 -2.626) 8.383 6.868 ( -3.220 -3.871 -3.547) 6.159 7.646 ( 3.360 -10.174 -3.117) 11.158 8.608 ( 4.620 2.693 -0.064) 5.349 8.768 ( 4.652 -2.565 2.949) 6.075 9.107 ( 7.742 7.666 2.549) 11.189 9.753 ( -7.905 7.722 -6.547) 12.845 10.109 ( 0.573 5.863 0.817) 5.947 10.397 ( 3.744 0.928 -6.097) 7.215 11.013 ( -1.071 0.659 2.190) 2.526 11.096 ( -1.900 -3.035 -0.346) 3.598 11.205 ( 2.932 -2.101 0.851) 3.706 13.112 ( -0.292 5.719 4.732) 7.429 13.252 ( -0.808 -3.976 6.727) 7.856 13.672 ( -0.117 -1.281 0.571) 1.407 13.804 ( 2.256 8.374 -6.934) 11.104 14.009 ( -9.519 2.031 -3.411) 10.314 14.470 ( -0.003 -1.781 2.211) 2.839 14.740 ( -0.396 0.322 0.546) 0.748 16.395 ( 0.107 -0.039 -1.149) 1.155 16.423 ( -1.772 -3.632 -1.136) 4.198 16.822 ( 15.917 -19.958 -6.299) 26.294 ======================= Grid point 223 (75/105) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 4.057 16.526) 17.017 1.552 ( -0.000 -17.315 25.782) 31.057 2.181 ( -0.000 -1.559 -11.171) 11.279 2.183 ( 0.000 6.872 19.388) 20.570 2.565 ( 0.000 16.449 14.490) 21.921 2.900 ( -0.000 -3.467 2.381) 4.206 2.969 ( 0.000 1.253 7.545) 7.649 3.223 ( -0.000 -5.376 24.205) 24.795 3.232 ( -0.000 -5.524 -3.980) 6.809 3.347 ( -0.000 -0.080 -0.036) 0.088 3.597 ( -0.000 -6.827 -3.316) 7.590 3.605 ( -0.000 -8.361 7.280) 11.086 4.049 ( -0.000 -6.927 9.403) 11.679 4.184 ( 0.000 10.268 -4.362) 11.156 4.247 ( -0.000 -15.699 2.994) 15.982 4.760 ( 0.000 5.505 1.289) 5.654 4.797 ( -0.000 -21.551 -12.010) 24.671 4.910 ( -0.000 -3.480 -3.651) 5.044 5.287 ( 0.000 2.837 3.656) 4.628 5.393 ( 0.000 4.010 0.086) 4.011 5.544 ( 0.000 4.591 -1.574) 4.853 5.566 ( 0.000 6.972 -10.158) 12.321 5.963 ( 0.000 3.500 -12.617) 13.094 6.378 ( 0.000 3.896 -0.574) 3.938 6.399 ( 0.000 1.556 7.906) 8.057 6.417 ( 0.000 4.140 0.451) 4.165 6.535 ( 0.000 5.368 -1.548) 5.587 6.888 ( -0.000 -3.001 -4.116) 5.094 7.778 ( -0.000 -8.750 -3.075) 9.275 8.622 ( 0.000 2.163 -0.103) 2.166 8.836 ( -0.000 -2.598 3.376) 4.260 9.093 ( 0.000 6.352 1.704) 6.577 9.612 ( 0.000 5.493 -7.298) 9.134 10.036 ( 0.000 7.701 -0.296) 7.706 10.439 ( -0.000 -2.028 -10.127) 10.328 10.995 ( 0.000 0.409 2.469) 2.502 11.101 ( -0.000 -1.573 -0.322) 1.606 11.245 ( -0.000 -1.120 1.219) 1.656 13.057 ( 0.000 3.666 3.359) 4.972 13.284 ( -0.000 -3.192 7.960) 8.576 13.672 ( 0.000 14.736 -8.854) 17.191 13.675 ( 0.000 1.511 4.185) 4.449 13.966 ( -0.000 -5.673 -6.078) 8.314 14.490 ( -0.000 -1.441 1.849) 2.344 14.738 ( -0.000 -0.138 3.130) 3.133 16.370 ( 0.000 1.864 -0.923) 2.080 16.458 ( -0.000 -3.857 -0.481) 3.887 17.186 ( -0.000 -18.021 -5.019) 18.707 ======================= Grid point 226 (76/105) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 4.149 0.000 10.542) 11.329 2.012 ( -0.680 -0.000 9.401) 9.425 2.070 ( -5.057 -0.000 -4.995) 7.107 2.195 ( 5.960 0.000 11.578) 13.022 2.328 ( -8.149 -0.000 0.443) 8.161 2.742 ( -0.159 -0.000 -0.163) 0.227 3.085 ( -0.988 -0.000 0.719) 1.222 3.102 ( -9.054 -0.000 2.226) 9.324 3.332 ( 7.501 0.000 1.418) 7.634 3.333 ( -4.573 -0.000 8.137) 9.334 3.554 ( -2.382 -0.000 0.552) 2.445 3.601 ( -1.633 -0.000 8.224) 8.385 3.980 ( -22.048 -0.000 -1.795) 22.121 4.214 ( 0.306 0.000 4.793) 4.803 4.576 ( -0.599 -0.000 0.261) 0.654 4.670 ( -42.189 -0.000 -0.466) 42.191 4.741 ( 32.424 0.000 -2.041) 32.488 4.909 ( 22.791 0.000 2.795) 22.962 5.281 ( -0.562 -0.000 2.031) 2.107 5.526 ( -2.377 -0.000 1.594) 2.862 5.723 ( 0.033 0.000 -4.013) 4.013 6.112 ( 0.651 0.000 -2.964) 3.035 6.156 ( -3.849 -0.000 -1.716) 4.214 6.367 ( 3.242 0.000 -0.320) 3.258 6.401 ( 1.900 0.000 -2.904) 3.470 6.648 ( 11.802 0.000 -6.378) 13.415 6.754 ( 3.892 0.000 -1.654) 4.229 7.386 ( -10.654 -0.000 -4.061) 11.402 7.948 ( -28.974 -0.000 0.357) 28.976 8.398 ( 1.213 0.000 1.795) 2.166 8.440 ( 19.674 0.000 -0.279) 19.676 8.604 ( 8.780 0.000 -3.728) 9.539 9.915 ( 1.602 0.000 0.927) 1.851 10.295 ( 0.018 0.000 4.381) 4.381 10.378 ( 18.502 0.000 -2.719) 18.701 10.941 ( -10.342 -0.000 -7.866) 12.994 11.027 ( -1.400 -0.000 -0.308) 1.433 11.217 ( -1.704 -0.000 -1.706) 2.412 13.035 ( -0.413 -0.000 3.818) 3.841 13.355 ( 0.957 0.000 -2.580) 2.752 13.627 ( 2.903 0.000 5.010) 5.790 13.751 ( 1.319 0.000 9.250) 9.343 14.422 ( -1.384 -0.000 -0.090) 1.387 14.499 ( -0.199 -0.000 0.827) 0.850 14.952 ( 14.392 0.000 -13.879) 19.994 15.674 ( -26.366 -0.000 3.627) 26.615 16.370 ( -2.211 -0.000 -2.059) 3.021 16.604 ( 0.204 0.000 -1.141) 1.159 ======================= Grid point 227 (77/105) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -9.412 12.799 -5.807) 16.915 2.050 ( 2.236 -6.861 -4.292) 8.396 2.100 ( 9.116 -0.214 6.998) 11.495 2.250 ( -0.523 -4.029 11.321) 12.028 2.417 ( 2.590 -13.857 1.686) 14.197 2.728 ( -0.411 0.395 -2.750) 2.809 2.935 ( -6.040 5.170 3.126) 8.543 3.083 ( -0.265 -2.295 -2.101) 3.123 3.195 ( -7.368 3.586 5.006) 9.602 3.420 ( -10.658 2.977 -0.805) 11.095 3.478 ( -3.806 -0.473 -1.842) 4.255 3.526 ( -14.715 0.109 4.214) 15.306 3.693 ( -5.200 -10.090 9.823) 15.011 4.069 ( -24.622 1.934 -0.514) 24.703 4.205 ( 0.499 3.276 8.486) 9.110 4.538 ( -4.215 -0.530 -1.474) 4.497 5.053 ( 15.623 1.704 0.011) 15.716 5.195 ( -9.206 -1.094 0.570) 9.289 5.396 ( -0.869 1.299 0.827) 1.768 5.513 ( 29.345 1.982 -0.452) 29.415 5.697 ( -4.639 -3.269 -5.076) 7.614 6.051 ( -5.540 2.171 -0.923) 6.022 6.097 ( -6.126 -1.594 -0.270) 6.336 6.397 ( -0.684 1.145 -4.678) 4.864 6.440 ( 3.520 -0.871 1.682) 3.997 6.742 ( 6.421 6.819 -3.644) 10.050 6.927 ( 6.434 -9.676 -1.526) 11.719 7.167 ( -13.210 3.604 -3.445) 14.119 7.460 ( -28.616 -1.280 -2.597) 28.762 8.468 ( 6.477 -0.473 2.917) 7.119 8.534 ( 3.563 0.948 1.774) 4.091 8.932 ( 22.709 4.476 -1.922) 23.226 9.974 ( 2.744 -3.441 1.276) 4.583 10.290 ( -0.395 1.647 6.303) 6.527 10.678 ( 16.185 -1.624 -0.186) 16.268 10.725 ( -8.166 8.580 -6.758) 13.637 11.021 ( -2.697 -4.046 -1.125) 4.991 11.173 ( -3.091 0.369 -0.063) 3.113 13.046 ( -0.408 -3.258 3.582) 4.859 13.386 ( 0.425 -3.126 -3.216) 4.505 13.580 ( 1.077 11.014 7.265) 13.238 13.840 ( 2.168 -6.973 9.023) 11.608 14.409 ( -1.365 -0.970 -0.639) 1.792 14.435 ( -6.641 -0.161 6.815) 9.517 15.046 ( -10.791 -0.723 -1.389) 10.904 15.497 ( 12.304 -0.270 -22.345) 25.510 16.335 ( -3.183 -2.022 -2.645) 4.606 16.586 ( -1.523 1.087 -1.541) 2.424 ======================= Grid point 228 (78/105) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -8.553 12.373 -3.123) 15.362 2.087 ( -8.890 2.217 3.998) 9.996 2.252 ( 8.019 -4.255 -4.814) 10.275 2.382 ( 7.338 -11.331 8.439) 15.920 2.560 ( -8.425 -13.025 -5.234) 16.372 2.775 ( -17.437 -0.835 2.036) 17.575 2.787 ( 2.112 -3.091 -0.453) 3.771 2.857 ( -14.259 3.743 5.267) 15.655 3.059 ( -5.316 -0.277 5.498) 7.652 3.172 ( 4.325 -5.263 -5.372) 8.675 3.393 ( -5.135 -0.777 -0.249) 5.199 3.545 ( 2.903 0.854 -0.395) 3.051 3.692 ( -9.260 -5.580 -0.540) 10.825 3.902 ( 1.117 -3.735 9.949) 10.685 4.154 ( -2.241 3.303 13.116) 13.710 4.468 ( -3.042 1.570 -4.437) 5.604 5.029 ( -12.134 -2.641 -1.074) 12.465 5.187 ( -3.367 3.175 1.220) 4.786 5.348 ( 10.629 3.396 -1.523) 11.262 5.604 ( -9.245 -4.068 -4.794) 11.181 5.836 ( -7.677 2.192 0.153) 7.985 5.961 ( -10.678 -0.422 0.439) 10.695 6.081 ( 22.984 1.423 -0.246) 23.029 6.339 ( -4.291 1.801 -7.458) 8.791 6.489 ( 1.062 0.072 4.799) 4.915 6.757 ( 3.304 4.454 -3.020) 6.315 6.894 ( -11.758 5.908 -1.580) 13.253 6.952 ( -14.708 -1.955 0.762) 14.856 7.260 ( 2.552 -7.190 -6.784) 10.209 8.596 ( 6.790 -1.052 2.807) 7.422 8.600 ( 6.194 1.425 0.670) 6.391 9.182 ( 15.569 7.212 2.004) 17.275 10.060 ( 2.565 -3.399 1.038) 4.383 10.192 ( -7.063 6.402 -0.062) 9.532 10.555 ( 0.622 8.864 0.958) 8.937 10.921 ( 8.877 -2.996 1.492) 9.487 11.027 ( -1.083 -3.160 -0.618) 3.397 11.121 ( -2.424 -0.488 0.954) 2.650 13.089 ( -0.122 -5.037 3.974) 6.417 13.411 ( 0.872 4.796 3.939) 6.267 13.483 ( -1.387 1.329 -0.808) 2.084 13.928 ( 2.287 -1.398 6.889) 7.392 14.280 ( -10.583 0.170 8.877) 13.814 14.411 ( -1.324 -2.095 0.423) 2.514 14.846 ( -8.046 1.816 -5.268) 9.787 15.861 ( 19.816 -9.669 -24.652) 33.074 16.318 ( -2.530 -3.887 -3.029) 5.540 16.537 ( -2.501 1.384 -2.053) 3.519 ======================= Grid point 229 (79/105) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -4.885 4.383 6.564) 9.282 1.725 ( -24.791 8.065 9.248) 27.661 2.222 ( -17.765 -4.561 -5.525) 19.155 2.383 ( 0.951 -0.152 -4.056) 4.169 2.642 ( 6.745 -6.966 4.501) 10.690 2.741 ( 0.670 -7.272 -3.377) 8.046 2.831 ( 2.427 -8.905 5.769) 10.884 2.921 ( 2.075 -4.778 12.081) 13.156 3.079 ( 3.219 -3.520 1.738) 5.077 3.273 ( 3.105 -1.358 0.037) 3.389 3.434 ( 4.386 -7.727 -3.203) 9.444 3.541 ( -0.757 3.053 -2.204) 3.841 3.618 ( -6.103 -7.045 -1.551) 9.449 4.016 ( 3.235 -8.006 3.067) 9.163 4.083 ( -4.077 -2.692 16.774) 17.471 4.416 ( -0.302 2.815 -6.171) 6.790 4.882 ( -9.031 -3.327 -2.231) 9.880 5.032 ( -6.915 5.111 1.693) 8.764 5.419 ( -14.905 -4.058 0.080) 15.448 5.525 ( 7.982 4.895 -1.354) 9.461 5.669 ( -5.084 -1.105 -5.557) 7.613 5.777 ( -7.494 4.654 1.573) 8.961 6.210 ( -6.582 3.785 -10.504) 12.961 6.391 ( 12.157 2.593 2.097) 12.606 6.486 ( 1.342 0.891 5.351) 5.588 6.658 ( -7.912 6.749 -1.314) 10.482 6.761 ( 1.917 7.875 -1.216) 8.196 6.786 ( -3.462 -2.096 -1.076) 4.188 7.423 ( 3.281 -9.836 -4.946) 11.488 8.666 ( 4.446 2.350 -0.534) 5.057 8.716 ( 4.473 -2.111 3.202) 5.892 9.289 ( 7.880 8.403 3.508) 12.042 9.959 ( -6.624 10.523 -5.114) 13.445 10.134 ( 1.304 -2.186 1.264) 2.842 10.510 ( 3.068 7.423 2.885) 8.535 11.005 ( -1.767 -5.045 0.105) 5.346 11.032 ( -0.436 0.971 2.284) 2.519 11.157 ( 3.600 -2.235 1.372) 4.454 13.145 ( 0.129 -4.984 5.024) 7.078 13.305 ( -0.153 11.164 7.639) 13.529 13.522 ( -1.093 -8.235 -6.098) 10.305 13.936 ( 0.838 3.756 4.205) 5.700 14.117 ( -6.793 2.908 3.778) 8.299 14.418 ( -0.800 -2.659 2.060) 3.457 14.757 ( -1.832 0.951 -5.559) 5.930 16.246 ( 6.428 -10.880 -11.827) 17.308 16.376 ( 5.018 -8.420 -7.719) 12.476 16.492 ( -1.392 -2.379 -5.253) 5.932 ======================= Grid point 230 (80/105) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 -6.421 17.864) 18.983 1.381 ( 0.000 7.083 11.796) 13.760 2.126 ( -0.000 -3.502 -7.952) 8.689 2.348 ( 0.000 6.513 7.038) 9.590 2.725 ( -0.000 -0.969 2.272) 2.470 2.813 ( -0.000 -4.350 -0.212) 4.355 2.980 ( -0.000 -6.324 7.255) 9.625 3.039 ( -0.000 -11.368 19.893) 22.913 3.114 ( -0.000 -2.013 -1.690) 2.628 3.406 ( -0.000 -8.431 0.948) 8.484 3.407 ( 0.000 7.712 5.983) 9.760 3.545 ( -0.000 -0.230 -5.912) 5.917 3.724 ( -0.000 -18.589 -4.174) 19.052 4.058 ( -0.000 -3.231 17.830) 18.121 4.227 ( -0.000 -15.094 -16.166) 22.117 4.399 ( -0.000 -1.785 -0.180) 1.794 4.829 ( -0.000 -2.559 -1.694) 3.069 4.900 ( 0.000 5.538 1.210) 5.668 5.280 ( -0.000 -2.186 3.448) 4.083 5.528 ( 0.000 5.045 -2.503) 5.632 5.656 ( 0.000 5.295 -0.541) 5.323 5.659 ( 0.000 3.284 -3.333) 4.680 6.077 ( 0.000 5.604 -13.329) 14.460 6.429 ( 0.000 1.430 5.551) 5.732 6.503 ( 0.000 7.021 -0.583) 7.045 6.523 ( 0.000 3.786 4.741) 6.067 6.679 ( 0.000 8.073 -1.544) 8.220 6.810 ( -0.000 -3.577 -3.049) 4.701 7.561 ( -0.000 -10.269 -3.909) 10.987 8.678 ( 0.000 2.643 -0.664) 2.725 8.779 ( -0.000 -2.472 3.194) 4.038 9.260 ( 0.000 8.488 3.371) 9.133 9.785 ( 0.000 10.018 -6.274) 11.820 10.152 ( 0.000 1.070 1.238) 1.636 10.466 ( 0.000 5.480 -1.794) 5.766 11.007 ( 0.000 0.331 2.261) 2.285 11.045 ( -0.000 -3.405 0.244) 3.414 11.212 ( -0.000 -1.786 1.606) 2.402 13.191 ( 0.000 8.795 5.903) 10.592 13.200 ( -0.000 -4.477 6.108) 7.573 13.605 ( -0.000 -8.061 -4.262) 9.119 13.911 ( 0.000 1.751 3.040) 3.508 13.981 ( 0.000 10.698 -4.394) 11.565 14.443 ( -0.000 -2.774 2.986) 4.076 14.739 ( 0.000 0.317 -2.620) 2.639 16.344 ( -0.000 -6.155 -2.384) 6.600 16.419 ( 0.000 2.310 -1.137) 2.574 16.711 ( -0.000 -22.562 -14.067) 26.588 ======================= Grid point 235 (81/105) ======================= q-point: ( 0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -3.457 -0.000 -13.178) 13.624 1.917 ( -2.307 -0.000 -11.688) 11.913 2.213 ( 7.525 0.000 9.295) 11.959 2.241 ( -8.581 -0.000 -0.654) 8.606 2.387 ( 8.378 0.000 2.988) 8.895 2.737 ( 1.297 0.000 2.104) 2.472 2.748 ( -44.629 -0.000 -0.474) 44.631 2.980 ( 6.532 0.000 -4.249) 7.793 3.016 ( -12.135 -0.000 2.825) 12.460 3.089 ( -1.122 -0.000 -4.949) 5.074 3.471 ( -7.682 -0.000 3.358) 8.384 3.550 ( -1.441 -0.000 3.268) 3.572 3.558 ( 4.831 0.000 6.042) 7.736 3.874 ( -3.877 -0.000 5.917) 7.074 4.196 ( -4.339 -0.000 14.796) 15.419 4.493 ( -1.111 -0.000 -5.802) 5.908 5.000 ( -12.150 -0.000 -0.627) 12.166 5.223 ( -3.193 -0.000 1.217) 3.417 5.386 ( 11.712 0.000 -1.393) 11.794 5.556 ( -9.872 -0.000 -4.510) 10.853 5.855 ( -16.722 -0.000 -1.640) 16.802 5.957 ( 0.940 0.000 1.761) 1.996 6.103 ( 21.148 0.000 0.566) 21.155 6.359 ( -3.764 -0.000 -7.142) 8.073 6.486 ( 1.071 0.000 5.982) 6.077 6.800 ( -7.333 -0.000 -2.524) 7.755 6.939 ( 1.454 0.000 0.720) 1.622 6.979 ( -8.820 -0.000 -2.160) 9.081 7.162 ( -4.421 -0.000 -8.204) 9.319 8.579 ( 6.951 0.000 3.609) 7.832 8.620 ( 5.778 0.000 0.160) 5.780 9.272 ( 15.399 0.000 1.491) 15.471 10.012 ( 3.729 0.000 2.282) 4.372 10.274 ( -3.426 -0.000 3.090) 4.613 10.678 ( -3.044 -0.000 0.302) 3.059 10.871 ( 4.799 0.000 1.411) 5.002 10.983 ( 4.371 0.000 -1.199) 4.532 11.117 ( -3.578 -0.000 1.224) 3.781 13.021 ( -0.153 -0.000 2.568) 2.573 13.374 ( 0.302 0.000 -4.633) 4.643 13.713 ( 2.169 0.000 9.522) 9.766 13.788 ( 1.325 0.000 13.115) 13.181 14.277 ( -11.423 -0.000 11.477) 16.193 14.388 ( -0.845 -0.000 -1.329) 1.575 14.862 ( -8.753 -0.000 -6.506) 10.906 15.760 ( 17.251 0.000 -32.418) 36.722 16.273 ( -2.842 -0.000 -3.352) 4.394 16.554 ( -2.891 -0.000 -2.142) 3.598 ======================= Grid point 237 (82/105) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -2.729 21.395 -12.426) 24.892 1.914 ( -23.190 8.504 3.522) 24.950 2.068 ( -16.476 -11.215 -4.296) 20.388 2.199 ( -2.969 -16.839 -17.168) 24.231 2.389 ( 6.773 -8.081 3.867) 11.231 2.598 ( 7.542 -2.492 0.754) 7.979 2.757 ( -0.062 -1.171 0.833) 1.439 2.830 ( -9.675 -2.498 8.296) 12.987 3.074 ( 6.694 3.053 -4.818) 8.794 3.193 ( 7.066 -6.253 -7.636) 12.139 3.326 ( -6.287 0.399 2.547) 6.795 3.523 ( -5.090 -3.011 1.776) 6.175 3.619 ( 3.575 2.755 2.518) 5.169 3.883 ( 1.407 -3.333 11.340) 11.904 4.085 ( -7.087 0.506 17.792) 19.158 4.483 ( 0.765 2.395 -7.768) 8.165 4.831 ( -8.299 -1.168 -1.686) 8.549 5.122 ( -5.063 2.600 1.652) 5.926 5.336 ( -16.859 -2.583 1.641) 17.134 5.606 ( 5.824 2.196 -2.716) 6.791 5.636 ( -0.468 -1.187 -4.848) 5.013 5.866 ( -5.265 2.332 3.807) 6.903 6.265 ( -5.759 1.294 -10.040) 11.646 6.441 ( 11.466 1.818 2.714) 11.922 6.477 ( 1.843 -1.128 5.228) 5.657 6.727 ( -1.646 -1.326 -1.221) 2.441 6.772 ( -8.424 2.758 -1.944) 9.075 6.962 ( 2.221 7.980 0.259) 8.287 7.224 ( 2.515 -7.777 -7.675) 11.212 8.680 ( 4.352 -0.864 3.676) 5.762 8.704 ( 4.340 0.883 -0.813) 4.503 9.439 ( 7.827 4.236 3.394) 9.525 10.078 ( 2.524 -1.796 2.436) 3.941 10.166 ( -4.749 6.367 -3.138) 8.541 10.642 ( 1.177 3.750 8.699) 9.546 10.889 ( -1.967 -4.359 -0.121) 4.783 11.058 ( -1.175 1.193 2.151) 2.726 11.112 ( 4.831 -1.710 1.666) 5.389 13.041 ( 0.090 -3.321 2.309) 4.046 13.393 ( 0.122 -2.662 -5.333) 5.962 13.610 ( 0.689 15.006 11.423) 18.872 13.915 ( 2.701 -8.173 11.529) 14.388 14.101 ( -9.496 -1.259 10.957) 14.554 14.379 ( -0.707 -0.727 -1.291) 1.641 14.768 ( -3.009 0.080 -9.229) 9.708 16.031 ( 11.107 -5.618 -33.805) 36.024 16.251 ( -1.222 -2.716 -4.134) 5.095 16.501 ( -2.758 0.623 -2.265) 3.623 ======================= Grid point 238 (83/105) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 15.620 -5.281) 16.489 1.549 ( 0.000 7.632 5.210) 9.241 2.028 ( -0.000 -5.156 -1.932) 5.506 2.371 ( -0.000 -8.034 -16.406) 18.268 2.585 ( -0.000 -16.480 -4.010) 16.960 2.703 ( 0.000 0.796 1.144) 1.393 2.769 ( -0.000 -11.383 12.894) 17.199 2.802 ( -0.000 -3.819 5.258) 6.498 3.127 ( 0.000 1.593 -1.197) 1.993 3.268 ( -0.000 -3.883 -2.539) 4.640 3.390 ( -0.000 -10.866 -3.206) 11.329 3.492 ( -0.000 -2.991 -3.041) 4.265 3.597 ( 0.000 6.354 -0.088) 6.355 3.953 ( -0.000 -6.663 10.455) 12.398 4.018 ( -0.000 -0.874 19.229) 19.249 4.455 ( 0.000 3.636 -8.706) 9.434 4.775 ( -0.000 -1.890 -2.107) 2.831 5.020 ( 0.000 4.950 2.466) 5.530 5.215 ( -0.000 -3.512 3.643) 5.060 5.563 ( -0.000 -0.293 -7.673) 7.678 5.755 ( 0.000 3.338 0.150) 3.341 5.757 ( 0.000 4.232 3.606) 5.560 6.173 ( 0.000 2.955 -12.213) 12.566 6.447 ( 0.000 0.136 5.446) 5.447 6.575 ( 0.000 1.443 2.609) 2.981 6.648 ( 0.000 5.304 -1.478) 5.506 6.741 ( -0.000 -2.383 -0.680) 2.478 6.882 ( 0.000 9.592 -0.567) 9.609 7.344 ( -0.000 -9.430 -6.102) 11.232 8.726 ( 0.000 1.200 -0.411) 1.268 8.733 ( -0.000 -1.182 2.856) 3.091 9.440 ( 0.000 7.103 3.954) 8.129 10.023 ( 0.000 10.603 -5.049) 11.744 10.123 ( -0.000 -2.314 2.055) 3.095 10.608 ( 0.000 5.562 8.246) 9.946 10.928 ( -0.000 -5.708 -0.168) 5.710 11.033 ( 0.000 0.878 2.562) 2.708 11.173 ( -0.000 -1.619 2.109) 2.659 13.089 ( -0.000 -5.095 3.324) 6.083 13.438 ( -0.000 -5.479 -6.132) 8.223 13.448 ( 0.000 14.507 10.074) 17.662 13.972 ( 0.000 2.563 6.744) 7.215 14.055 ( -0.000 -4.848 9.758) 10.896 14.386 ( -0.000 -1.768 0.193) 1.779 14.746 ( 0.000 0.064 -8.333) 8.333 16.197 ( -0.000 -7.350 -18.359) 19.775 16.321 ( -0.000 -10.665 -15.579) 18.880 16.462 ( 0.000 1.460 -1.403) 2.025 ======================= Grid point 246 (84/105) ======================= q-point: (-0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.000 0.000 -0.555) 0.555 1.802 ( -0.000 -0.000 -18.127) 18.127 1.949 ( -0.000 -0.000 3.906) 3.906 1.950 ( 0.000 0.000 -21.457) 21.457 2.443 ( -0.000 -0.000 -5.360) 5.360 2.629 ( -0.000 -0.000 9.709) 9.709 2.736 ( 0.000 0.000 4.138) 4.138 2.754 ( -0.000 -0.000 -1.097) 1.097 3.147 ( 0.000 0.000 -10.020) 10.020 3.236 ( -0.000 -0.000 2.819) 2.819 3.261 ( 0.000 0.000 -9.102) 9.102 3.452 ( -0.000 -0.000 6.980) 6.980 3.683 ( -0.000 -0.000 3.655) 3.655 3.876 ( 0.000 0.000 10.860) 10.860 4.009 ( 0.000 0.000 19.539) 19.539 4.507 ( -0.000 -0.000 -7.808) 7.808 4.754 ( -0.000 -0.000 -2.066) 2.066 5.100 ( 0.000 0.000 1.938) 1.938 5.149 ( -0.000 -0.000 4.502) 4.502 5.557 ( 0.000 0.000 -7.876) 7.876 5.793 ( -0.000 -0.000 0.391) 0.391 5.806 ( -0.000 -0.000 4.202) 4.202 6.205 ( -0.000 -0.000 -11.570) 11.570 6.446 ( -0.000 -0.000 5.508) 5.508 6.592 ( -0.000 -0.000 2.402) 2.402 6.709 ( -0.000 -0.000 -1.888) 1.888 6.713 ( -0.000 -0.000 0.021) 0.021 7.041 ( -0.000 -0.000 1.925) 1.925 7.190 ( 0.000 0.000 -9.937) 9.937 8.712 ( -0.000 -0.000 3.841) 3.841 8.747 ( -0.000 -0.000 -1.277) 1.277 9.527 ( -0.000 -0.000 3.746) 3.746 10.091 ( 0.000 0.000 2.878) 2.878 10.164 ( -0.000 -0.000 -4.405) 4.405 10.671 ( -0.000 -0.000 12.424) 12.424 10.845 ( -0.000 -0.000 -0.427) 0.427 11.046 ( -0.000 -0.000 2.453) 2.453 11.152 ( -0.000 -0.000 2.429) 2.429 13.023 ( -0.000 -0.000 1.522) 1.522 13.380 ( 0.000 0.000 -5.292) 5.292 13.753 ( 0.000 0.000 11.374) 11.374 13.848 ( -0.000 -0.000 17.762) 17.762 14.002 ( -0.000 -0.000 7.408) 7.408 14.370 ( -0.000 -0.000 -1.818) 1.818 14.744 ( -0.000 -0.000 -10.272) 10.272 16.096 ( 0.000 0.000 -38.609) 38.609 16.223 ( -0.000 -0.000 -3.948) 3.948 16.478 ( -0.000 -0.000 -1.525) 1.525 ======================= Grid point 276 (85/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 0.000 14.523) 14.523 1.939 ( 0.000 0.000 -12.459) 12.459 2.146 ( 0.000 0.000 7.567) 7.567 2.474 ( 0.000 0.000 11.242) 11.242 2.650 ( 0.000 0.000 13.850) 13.850 2.921 ( 0.000 0.000 -5.519) 5.519 3.011 ( 0.000 0.000 1.699) 1.699 3.267 ( 0.000 0.000 -0.018) 0.018 3.343 ( 0.000 0.000 2.537) 2.537 3.527 ( 0.000 0.000 -11.066) 11.066 3.689 ( 0.000 0.000 12.210) 12.210 3.874 ( 0.000 0.000 4.928) 4.928 4.294 ( 0.000 0.000 18.931) 18.931 4.315 ( 0.000 0.000 3.475) 3.475 4.514 ( 0.000 0.000 4.377) 4.377 4.703 ( 0.000 0.000 1.185) 1.185 4.721 ( 0.000 0.000 -19.528) 19.528 4.874 ( 0.000 0.000 -3.792) 3.792 5.159 ( 0.000 0.000 -8.176) 8.176 5.297 ( 0.000 0.000 0.535) 0.535 5.384 ( 0.000 0.000 0.594) 0.594 5.460 ( 0.000 0.000 -0.485) 0.485 5.733 ( 0.000 0.000 -6.283) 6.283 6.277 ( 0.000 0.000 -2.254) 2.254 6.324 ( 0.000 0.000 -0.307) 0.307 6.469 ( 0.000 0.000 0.401) 0.401 6.590 ( 0.000 0.000 8.860) 8.860 6.810 ( 0.000 0.000 -6.567) 6.567 7.831 ( 0.000 0.000 -1.553) 1.553 8.600 ( 0.000 0.000 0.110) 0.110 8.937 ( 0.000 0.000 1.617) 1.617 9.013 ( 0.000 0.000 0.083) 0.083 9.446 ( 0.000 0.000 -2.627) 2.627 9.916 ( 0.000 0.000 -0.429) 0.429 10.280 ( 0.000 0.000 -5.206) 5.206 11.020 ( 0.000 0.000 0.615) 0.615 11.111 ( 0.000 0.000 -0.182) 0.182 11.273 ( 0.000 0.000 0.404) 0.404 13.069 ( 0.000 0.000 1.892) 1.892 13.363 ( 0.000 0.000 -3.718) 3.718 13.458 ( 0.000 0.000 3.573) 3.573 13.746 ( 0.000 0.000 5.296) 5.296 13.901 ( 0.000 0.000 -6.303) 6.303 14.521 ( 0.000 0.000 0.380) 0.380 14.814 ( 0.000 0.000 1.887) 1.887 16.335 ( 0.000 0.000 -0.358) 0.358 16.503 ( 0.000 0.000 0.066) 0.066 17.355 ( 0.000 0.000 -1.203) 1.203 ======================= Grid point 277 (86/105) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 18.921 -0.947 14.917) 24.112 2.075 ( -1.596 7.804 8.544) 11.681 2.097 ( 23.778 0.324 -12.670) 26.945 2.454 ( -1.589 1.968 10.011) 10.326 2.695 ( -0.240 -6.526 11.232) 12.992 2.871 ( -6.082 0.630 -3.992) 7.302 2.974 ( -7.809 -4.699 -0.608) 9.134 3.210 ( -3.581 2.838 0.609) 4.610 3.292 ( -4.948 -0.905 3.596) 6.184 3.468 ( -3.671 3.940 -9.346) 10.786 3.683 ( 1.432 3.939 10.492) 11.298 3.774 ( -7.458 4.446 5.471) 10.263 4.194 ( -6.006 4.691 8.788) 11.632 4.243 ( -1.225 13.993 -0.021) 14.046 4.505 ( 2.059 2.936 5.058) 6.200 4.594 ( -4.470 7.407 -6.574) 10.865 4.812 ( 8.568 -4.334 2.330) 9.881 4.970 ( 11.355 1.588 -3.789) 12.075 5.019 ( -15.217 -10.947 -6.995) 20.008 5.404 ( 8.118 -5.616 1.487) 9.982 5.646 ( 13.396 2.278 -2.589) 13.833 5.702 ( 28.423 1.843 -1.378) 28.516 5.826 ( 11.601 -1.931 -7.212) 13.796 6.306 ( -3.138 -5.530 -0.393) 6.370 6.336 ( -0.560 -2.709 -0.197) 2.773 6.351 ( -11.360 -2.092 -1.258) 11.619 6.602 ( 0.821 -1.104 7.279) 7.408 6.831 ( 4.771 1.421 -5.426) 7.363 7.780 ( -2.920 4.822 -1.485) 5.829 8.568 ( -4.238 -1.041 0.207) 4.369 8.871 ( -5.299 3.265 1.085) 6.318 8.987 ( -7.415 -5.672 0.592) 9.354 9.537 ( 8.819 -2.989 -2.466) 9.633 9.947 ( -0.623 -6.234 -0.099) 6.266 10.269 ( -0.657 0.739 -4.479) 4.587 11.028 ( 0.700 -0.315 0.523) 0.928 11.126 ( 2.038 0.699 -0.276) 2.172 11.245 ( -3.213 0.696 0.083) 3.288 13.095 ( 1.369 -2.533 2.444) 3.777 13.360 ( -3.373 -5.515 -2.626) 6.977 13.490 ( 3.601 1.452 1.893) 4.320 13.780 ( 2.612 -0.776 5.780) 6.390 13.911 ( 3.885 1.536 -7.148) 8.279 14.512 ( -0.989 0.138 0.416) 1.082 14.799 ( -0.800 1.254 1.500) 2.113 16.352 ( 1.160 -0.930 -0.375) 1.533 16.501 ( 1.291 2.251 -0.006) 2.595 17.154 ( -16.352 10.671 -0.547) 19.533 ======================= Grid point 278 (87/105) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.135 8.609 11.951) 14.772 2.036 ( 7.955 -1.856 3.289) 8.806 2.339 ( -5.452 4.422 4.144) 8.152 2.662 ( 9.564 0.812 -5.762) 11.195 2.691 ( -2.028 -6.694 9.743) 11.993 2.795 ( 15.184 -0.998 1.441) 15.285 2.908 ( -4.668 -5.958 -4.749) 8.936 3.124 ( -0.841 5.711 2.373) 6.242 3.229 ( -2.267 4.292 4.327) 6.503 3.371 ( -5.183 -0.022 -3.211) 6.097 3.594 ( -3.049 2.564 -1.101) 4.133 3.665 ( 1.427 6.229 8.856) 10.921 4.003 ( -2.575 17.123 0.551) 17.324 4.083 ( -0.789 7.449 -1.914) 7.731 4.411 ( -7.114 4.962 -0.198) 8.676 4.561 ( 6.425 2.486 6.194) 9.264 4.895 ( -10.795 -11.479 -2.314) 15.927 5.080 ( 11.407 -4.265 -0.828) 12.206 5.179 ( 15.706 3.380 -1.466) 16.132 5.620 ( 8.027 -7.165 1.271) 10.834 5.748 ( 1.841 5.070 -2.722) 6.042 5.960 ( -9.997 -2.258 -1.078) 10.305 6.077 ( 3.818 0.088 -1.295) 4.032 6.103 ( 12.304 2.751 -3.392) 13.056 6.396 ( -1.413 -6.486 -1.670) 6.845 6.411 ( 2.526 -6.798 0.475) 7.268 6.647 ( 2.130 -2.751 0.500) 3.514 7.039 ( 25.036 1.591 -2.249) 25.187 7.638 ( -4.494 9.110 -1.231) 10.232 8.501 ( -5.305 -2.049 0.509) 5.710 8.707 ( -10.696 2.096 0.415) 10.907 8.882 ( -13.302 -6.108 0.976) 14.670 9.783 ( 14.894 -5.326 -2.069) 15.953 10.022 ( -1.329 -9.788 0.402) 9.886 10.249 ( 0.079 1.910 -2.713) 3.318 11.031 ( -2.057 0.664 0.307) 2.183 11.149 ( -0.862 1.520 -0.040) 1.748 11.157 ( -2.077 0.840 -0.635) 2.329 13.164 ( 1.854 -4.898 3.991) 6.585 13.380 ( -1.334 -4.754 -1.517) 5.166 13.521 ( 0.695 -0.919 0.103) 1.156 13.783 ( 2.352 7.481 0.065) 7.843 14.077 ( 12.147 -7.022 -3.037) 14.356 14.491 ( -1.332 -0.199 0.400) 1.405 14.770 ( -0.551 0.911 0.661) 1.253 16.370 ( -1.755 0.971 -0.355) 2.037 16.495 ( 1.961 4.036 0.075) 4.488 16.650 ( -23.478 14.780 0.067) 27.743 ======================= Grid point 279 (88/105) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 3.836 7.689 11.139) 14.068 2.077 ( -8.373 -0.503 0.686) 8.416 2.272 ( 6.159 2.632 -1.874) 6.955 2.454 ( -13.218 -5.652 -0.650) 14.391 2.827 ( 0.206 -6.626 6.164) 9.053 2.867 ( -2.593 -2.009 2.494) 4.121 3.036 ( -0.848 5.073 5.249) 7.349 3.173 ( 4.265 4.745 0.883) 6.441 3.204 ( 1.710 4.011 -0.213) 4.365 3.232 ( 1.274 0.075 -1.584) 2.034 3.580 ( -1.891 2.303 -0.584) 3.037 3.765 ( -1.923 14.422 -3.446) 14.952 3.823 ( 20.308 -2.307 0.397) 20.443 4.129 ( 17.346 2.521 0.989) 17.556 4.249 ( -6.938 4.002 3.234) 8.638 4.659 ( 8.386 2.503 3.330) 9.364 4.824 ( -10.252 -7.157 -2.112) 12.680 5.299 ( 4.440 -2.064 1.212) 5.044 5.320 ( -8.686 1.609 -0.715) 8.862 5.416 ( -12.436 0.468 0.046) 12.445 5.796 ( 3.473 -6.685 0.179) 7.535 5.898 ( 4.556 5.494 -1.657) 7.327 6.176 ( 4.502 -1.845 -0.920) 4.952 6.254 ( 6.694 1.968 -2.331) 7.356 6.401 ( -3.181 -3.675 -0.340) 4.873 6.483 ( -2.452 -2.642 -1.799) 4.029 6.801 ( 9.962 -8.781 -0.652) 13.295 7.347 ( -4.130 5.490 -1.633) 7.061 7.622 ( 32.416 9.923 -0.857) 33.912 8.447 ( -10.968 -2.961 2.297) 11.591 8.488 ( -9.440 -1.876 -1.649) 9.765 8.698 ( -13.832 -2.542 0.939) 14.094 10.082 ( 7.198 -4.664 0.380) 8.586 10.120 ( 3.622 -9.023 -2.742) 10.102 10.253 ( 6.379 1.533 0.330) 6.570 10.859 ( -13.444 4.931 -0.175) 14.321 11.130 ( 0.116 -1.879 -0.174) 1.891 11.165 ( 1.423 2.074 -0.210) 2.524 13.255 ( 1.226 -6.757 5.555) 8.833 13.393 ( 1.187 3.375 2.523) 4.378 13.556 ( -2.671 -9.437 -3.655) 10.467 13.720 ( 2.914 11.472 -3.574) 12.364 14.375 ( 11.016 -5.385 -1.082) 12.310 14.479 ( -0.890 -1.001 0.179) 1.352 14.828 ( 8.137 -6.782 -0.286) 10.596 15.914 ( -27.996 20.131 0.523) 34.487 16.459 ( -1.105 -2.917 -0.340) 3.137 16.490 ( 2.309 4.495 -0.684) 5.100 ======================= Grid point 280 (89/105) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -8.467 -3.424 5.231) 10.525 1.932 ( 8.467 3.424 5.231) 10.525 2.357 ( -8.185 -6.121 -2.597) 10.545 2.357 ( 8.185 6.121 -2.597) 10.545 2.854 ( -1.657 -2.441 4.406) 5.303 2.854 ( 1.657 2.441 4.406) 5.303 3.056 ( 1.125 -6.474 3.790) 7.586 3.056 ( -1.125 6.474 3.790) 7.586 3.243 ( -6.652 -2.562 0.484) 7.144 3.243 ( 6.652 2.562 0.484) 7.144 3.596 ( 0.862 -8.040 -4.743) 9.374 3.596 ( -0.862 8.040 -4.743) 9.374 4.083 ( 3.184 -4.470 3.536) 6.529 4.083 ( -3.184 4.470 3.536) 6.529 4.628 ( -31.247 -2.018 -0.003) 31.312 4.628 ( 31.247 2.018 -0.003) 31.312 4.807 ( -20.444 -5.131 -0.064) 21.078 4.807 ( 20.444 5.131 -0.064) 21.078 5.420 ( -0.200 -3.993 1.092) 4.145 5.420 ( 0.200 3.993 1.092) 4.145 5.884 ( -1.920 -6.792 -1.185) 7.157 5.884 ( 1.920 6.791 -1.185) 7.157 6.261 ( -1.226 -2.976 -0.285) 3.231 6.261 ( 1.226 2.976 -0.285) 3.231 6.430 ( -1.136 -2.066 -2.234) 3.248 6.430 ( 1.136 2.066 -2.234) 3.248 7.094 ( 11.405 -10.042 -0.857) 15.220 7.094 ( -11.405 10.042 -0.857) 15.220 8.102 ( -31.424 -6.810 -0.208) 32.154 8.102 ( 31.424 6.810 -0.208) 32.154 8.531 ( -5.126 1.169 0.508) 5.282 8.531 ( 5.126 -1.169 0.508) 5.282 10.156 ( -3.092 -6.942 -0.524) 7.617 10.156 ( 3.092 6.942 -0.524) 7.617 10.537 ( -16.218 5.408 -0.171) 17.097 10.537 ( 16.218 -5.408 -0.171) 17.097 11.154 ( -0.279 -2.295 -0.142) 2.316 11.154 ( 0.279 2.295 -0.142) 2.316 13.343 ( -0.282 -7.244 5.513) 9.107 13.343 ( 0.282 7.244 5.513) 9.107 13.635 ( -3.379 -12.980 -5.256) 14.406 13.635 ( 3.379 12.980 -5.256) 14.406 14.476 ( -1.542 -1.137 -0.122) 1.919 14.476 ( 1.542 1.137 -0.122) 1.919 15.258 ( 22.109 -17.379 -0.288) 28.123 15.258 ( -22.109 17.379 -0.288) 28.123 16.477 ( -1.825 -4.181 -0.569) 4.597 16.477 ( 1.825 4.181 -0.569) 4.597 ======================= Grid point 286 (90/105) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 9.302 0.000 4.653) 10.401 2.076 ( -2.486 -0.000 5.939) 6.439 2.441 ( -2.676 -0.000 13.160) 13.430 2.508 ( -1.244 -0.000 12.121) 12.185 2.716 ( -17.194 -0.000 -3.615) 17.569 2.774 ( 20.549 0.000 -12.978) 24.304 2.824 ( 12.135 0.000 2.942) 12.487 3.194 ( 0.302 0.000 1.153) 1.192 3.214 ( -2.852 -0.000 3.952) 4.874 3.427 ( -4.624 -0.000 -8.653) 9.811 3.639 ( -8.625 -0.000 3.631) 9.358 3.734 ( 1.732 0.000 10.921) 11.058 4.128 ( -3.892 -0.000 6.227) 7.343 4.286 ( -2.450 -0.000 0.476) 2.496 4.549 ( 2.798 0.000 4.829) 5.581 4.579 ( -20.937 -0.000 -4.067) 21.328 4.670 ( 3.215 0.000 -3.351) 4.644 5.026 ( 14.132 0.000 -0.012) 14.132 5.222 ( 16.747 0.000 -2.062) 16.873 5.530 ( 9.376 0.000 0.818) 9.411 5.826 ( -8.267 -0.000 -2.891) 8.758 5.914 ( 8.346 0.000 -1.842) 8.546 6.049 ( -7.238 -0.000 -0.613) 7.264 6.212 ( 17.277 0.000 -3.197) 17.571 6.269 ( -0.033 -0.000 -2.147) 2.148 6.330 ( 1.283 0.000 -0.196) 1.298 6.616 ( 1.512 0.000 1.033) 1.832 7.058 ( 24.592 0.000 -2.891) 24.761 7.749 ( -3.256 -0.000 -1.769) 3.705 8.476 ( -5.542 -0.000 0.685) 5.584 8.751 ( -15.887 -0.000 -0.102) 15.888 8.793 ( -7.587 -0.000 1.309) 7.699 9.724 ( 15.400 0.000 -2.059) 15.537 9.904 ( -0.301 -0.000 -0.258) 0.396 10.272 ( 0.689 0.000 -2.726) 2.812 11.038 ( 0.564 0.000 0.243) 0.614 11.165 ( -7.206 -0.000 -0.954) 7.269 11.169 ( 2.372 0.000 -0.450) 2.414 13.110 ( 1.911 0.000 3.531) 4.015 13.276 ( -2.567 -0.000 -4.079) 4.820 13.575 ( 4.632 0.000 2.410) 5.221 13.829 ( 3.863 0.000 7.764) 8.672 14.014 ( 8.453 0.000 -9.406) 12.646 14.488 ( -1.832 -0.000 0.297) 1.855 14.782 ( -1.989 -0.000 0.933) 2.197 16.367 ( 0.976 0.000 -0.428) 1.065 16.541 ( 1.874 0.000 -0.020) 1.874 16.832 ( -28.617 -0.000 1.288) 28.646 ======================= Grid point 287 (91/105) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.986 3.874 6.272) 7.438 2.080 ( -3.321 0.478 -0.398) 3.379 2.302 ( -7.413 1.220 8.008) 10.981 2.385 ( -10.760 0.183 1.364) 10.848 2.569 ( -4.196 -10.985 4.368) 12.544 2.796 ( -2.472 -2.809 -0.295) 3.753 3.155 ( 0.737 2.942 4.588) 5.500 3.223 ( 0.812 -1.100 1.884) 2.327 3.236 ( 4.742 1.707 -1.706) 5.321 3.321 ( -4.500 3.972 -7.277) 9.433 3.639 ( 6.371 2.223 1.806) 6.985 3.765 ( 6.529 -0.780 9.071) 11.204 4.124 ( -7.997 13.294 -2.832) 15.770 4.183 ( 15.888 1.888 1.274) 16.050 4.295 ( -7.848 -1.143 0.001) 7.931 4.624 ( 0.013 -5.214 2.420) 5.748 4.750 ( 6.555 0.874 -0.539) 6.635 5.247 ( 9.883 -1.535 0.963) 10.048 5.342 ( -37.300 0.123 -0.353) 37.301 5.460 ( 10.620 2.133 -0.006) 10.832 5.669 ( 3.882 -3.659 -0.534) 5.362 6.000 ( 4.739 3.126 -1.377) 5.842 6.129 ( 3.782 -1.748 -2.269) 4.744 6.286 ( 4.013 0.507 -1.327) 4.257 6.349 ( 0.782 -0.814 -0.205) 1.148 6.413 ( 5.870 -2.972 -1.314) 6.709 6.663 ( 4.065 -3.130 -1.718) 5.411 7.412 ( 4.447 1.203 -1.769) 4.935 7.826 ( 26.470 6.234 -2.328) 27.293 8.394 ( -11.883 -1.510 3.136) 12.382 8.451 ( -13.810 -1.118 -2.361) 14.055 8.669 ( -7.807 -0.454 0.975) 7.881 9.931 ( 0.366 -4.742 0.044) 4.756 10.024 ( 18.780 -1.942 -1.658) 18.953 10.297 ( 3.462 1.349 -0.206) 3.721 10.971 ( -9.791 4.916 -1.373) 11.041 11.072 ( -2.267 -3.417 -0.685) 4.158 11.195 ( 1.145 0.678 -0.374) 1.382 13.149 ( 0.838 -2.886 5.381) 6.163 13.279 ( -0.929 -5.307 -5.918) 8.003 13.612 ( 3.813 6.210 3.212) 7.964 13.882 ( 3.246 2.266 4.753) 6.186 14.230 ( 14.523 -4.943 -7.209) 16.950 14.458 ( -1.969 -0.638 0.141) 2.075 14.750 ( -1.424 -1.152 -0.485) 1.895 16.245 ( -29.787 9.464 2.129) 31.327 16.395 ( -4.260 -3.000 -0.142) 5.213 16.563 ( 1.534 1.816 -0.529) 2.435 ======================= Grid point 288 (92/105) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -11.657 1.196 1.367) 11.798 2.022 ( 1.265 3.581 4.560) 5.934 2.175 ( -6.939 -8.464 -1.852) 11.100 2.418 ( 7.910 0.094 2.083) 8.180 2.652 ( -3.018 -12.826 5.190) 14.161 2.759 ( -6.590 -4.305 0.720) 7.904 3.085 ( -2.792 3.704 4.289) 6.317 3.138 ( -7.119 -0.503 0.458) 7.151 3.251 ( -1.177 1.162 -2.994) 3.420 3.309 ( 6.734 2.592 0.025) 7.215 3.560 ( -3.896 6.119 2.105) 7.553 3.782 ( -12.629 6.122 -2.446) 14.246 3.960 ( 4.772 -5.252 4.443) 8.372 4.202 ( -2.638 4.891 1.277) 5.701 4.599 ( -20.808 -0.587 0.689) 20.827 4.680 ( 32.927 2.328 -0.645) 33.015 4.701 ( -26.429 -4.048 -0.798) 26.749 4.912 ( 19.775 4.028 1.108) 20.211 5.346 ( -0.907 -2.680 1.013) 3.005 5.510 ( -1.031 3.739 1.182) 4.055 5.736 ( -1.975 -5.953 -1.585) 6.469 6.011 ( 1.537 4.494 -0.972) 4.848 6.182 ( -0.850 -3.660 -0.666) 3.816 6.322 ( -1.032 2.139 -0.974) 2.567 6.384 ( 5.182 -1.582 -0.531) 5.444 6.494 ( 4.656 3.225 -3.134) 6.474 6.864 ( 10.010 -9.916 -0.693) 14.107 7.270 ( -10.959 5.535 -1.226) 12.339 7.993 ( -31.325 -3.137 0.282) 31.483 8.276 ( 28.021 8.187 -0.692) 29.201 8.484 ( 9.449 -2.307 0.395) 9.734 8.565 ( -3.483 1.176 0.273) 3.687 10.003 ( 0.801 -6.106 -0.106) 6.159 10.284 ( 8.781 4.483 0.017) 9.860 10.430 ( 15.923 -3.553 1.326) 16.369 10.693 ( -14.547 7.518 -2.514) 16.567 11.086 ( -1.569 -3.909 -0.515) 4.243 11.190 ( -0.506 1.053 -0.129) 1.175 13.204 ( 0.051 -5.682 6.300) 8.484 13.343 ( -0.759 -8.058 -6.595) 10.440 13.571 ( 1.878 9.465 4.595) 10.687 13.880 ( 3.449 7.786 -0.197) 8.518 14.443 ( -1.537 -1.666 -0.104) 2.269 14.477 ( 5.487 -1.563 -1.347) 5.862 14.883 ( 12.755 -13.903 -3.741) 19.235 15.602 ( -30.709 12.121 1.481) 33.048 16.387 ( -2.889 -3.683 -0.677) 4.730 16.555 ( 0.497 2.684 -0.538) 2.782 ======================= Grid point 289 (93/105) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -8.207 -4.443 9.666) 13.436 2.060 ( 3.117 -5.281 -6.320) 8.807 2.196 ( -1.491 -1.614 0.359) 2.226 2.559 ( 9.895 1.706 -0.178) 10.043 2.694 ( -5.568 -8.945 3.660) 11.154 2.747 ( -4.106 -11.150 0.897) 11.916 3.025 ( -4.198 -3.931 5.078) 7.672 3.097 ( 1.331 -3.234 -1.814) 3.940 3.219 ( 2.225 7.143 6.320) 9.794 3.314 ( -10.342 4.893 0.281) 11.444 3.474 ( -4.676 -5.391 -3.144) 7.798 3.536 ( -9.170 -2.426 -3.360) 10.063 3.953 ( -25.501 4.249 -1.584) 25.901 4.080 ( -2.590 -2.634 6.895) 7.823 4.173 ( 1.098 -0.101 -0.704) 1.308 4.603 ( -5.914 -2.161 2.286) 6.698 4.966 ( 13.913 5.355 -0.764) 14.927 5.248 ( -5.294 -2.723 0.275) 5.959 5.374 ( -7.338 3.027 1.289) 8.041 5.440 ( 26.782 2.157 -0.888) 26.883 5.752 ( -2.560 -6.469 -1.050) 7.036 5.947 ( -2.545 5.599 -0.595) 6.179 6.157 ( -7.265 -3.079 0.985) 7.952 6.258 ( -3.976 1.959 -4.493) 6.312 6.479 ( 5.557 2.181 2.438) 6.449 6.542 ( 6.326 3.868 -3.586) 8.237 6.996 ( -12.377 7.956 -0.699) 14.731 7.147 ( 9.116 -11.579 -0.887) 14.763 7.477 ( -34.634 -3.472 -0.526) 34.811 8.499 ( 10.185 1.187 0.891) 10.293 8.525 ( 2.069 1.778 0.169) 2.733 8.792 ( 23.143 5.800 0.299) 23.860 10.076 ( 0.640 -3.900 -0.092) 3.953 10.298 ( -3.892 6.636 3.216) 8.339 10.371 ( -5.189 10.796 -4.220) 12.700 10.761 ( 16.208 -4.002 0.747) 16.712 11.099 ( -2.258 -3.978 -0.332) 4.586 11.161 ( -1.520 0.951 0.040) 1.793 13.268 ( -0.329 -6.108 6.314) 8.792 13.413 ( -0.413 -3.725 -2.129) 4.310 13.485 ( -1.363 3.631 0.978) 4.000 13.831 ( 3.639 11.615 -3.321) 12.617 14.423 ( -3.805 -0.307 -0.203) 3.823 14.497 ( -0.296 0.699 0.844) 1.135 15.024 ( -21.651 9.098 0.863) 23.501 15.417 ( 22.159 -23.205 -4.507) 32.400 16.380 ( -3.417 -4.945 -0.852) 6.071 16.522 ( -0.871 2.557 -0.560) 2.759 ======================= Grid point 290 (94/105) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -3.461 -9.755 16.043) 19.093 2.097 ( -8.950 2.333 1.799) 9.422 2.214 ( 5.387 -7.303 -8.086) 12.155 2.638 ( -21.925 -0.971 -2.828) 22.128 2.727 ( -2.926 -2.028 0.981) 3.693 2.776 ( -0.559 -10.068 3.181) 10.573 2.906 ( -5.864 -1.146 0.930) 6.046 3.054 ( -0.555 -9.064 2.816) 9.508 3.172 ( 6.125 8.755 6.339) 12.424 3.272 ( 8.116 -8.321 -1.785) 11.760 3.497 ( -4.377 -9.905 3.101) 11.264 3.570 ( -1.382 -10.566 -1.130) 10.715 3.687 ( -3.967 1.516 -4.135) 5.927 4.004 ( -2.521 1.918 -0.834) 3.276 4.302 ( 5.498 -5.297 2.870) 8.157 4.517 ( -6.502 -1.369 5.082) 8.365 5.062 ( -5.805 -0.136 -1.067) 5.904 5.133 ( -3.425 3.388 1.784) 5.137 5.191 ( -1.098 5.410 -3.041) 6.303 5.632 ( -5.439 -5.244 -2.430) 7.936 5.784 ( -6.773 6.369 1.919) 9.493 5.983 ( -11.169 -1.491 0.412) 11.276 6.016 ( 12.669 0.574 -2.833) 12.995 6.155 ( -1.485 3.188 -3.387) 4.882 6.516 ( 3.622 4.449 1.677) 5.977 6.573 ( 1.643 6.427 -1.549) 6.812 6.739 ( -6.841 5.729 -0.342) 8.930 6.999 ( -24.473 -1.808 -0.773) 24.552 7.402 ( 6.324 -11.456 -1.099) 13.132 8.554 ( 4.944 2.536 0.201) 5.560 8.667 ( 8.634 -1.598 0.688) 8.807 9.042 ( 16.221 8.142 1.056) 18.181 9.947 ( -12.774 9.224 -1.502) 15.828 10.167 ( -0.212 -2.089 1.238) 2.437 10.312 ( 5.214 12.345 -1.824) 13.525 11.007 ( 7.991 -1.600 0.765) 8.185 11.097 ( -2.683 -3.316 0.156) 4.268 11.140 ( 0.932 -0.537 -0.144) 1.086 13.315 ( -0.568 0.467 5.994) 6.039 13.339 ( -0.792 4.717 4.256) 6.403 13.536 ( -2.268 -12.434 -5.217) 13.674 13.753 ( 3.628 13.327 -4.621) 14.564 14.250 ( -12.080 7.141 0.302) 14.036 14.493 ( 0.256 -0.165 1.126) 1.167 14.754 ( -5.275 -0.182 -0.708) 5.326 16.065 ( 20.950 -26.139 -2.335) 33.580 16.388 ( -2.659 -5.708 -1.013) 6.378 16.481 ( -1.127 0.514 -0.722) 1.434 ======================= Grid point 291 (95/105) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -8.792 -5.576 16.119) 19.189 1.860 ( -13.302 -4.101 12.795) 18.907 2.090 ( -21.560 -0.349 -11.657) 24.512 2.370 ( 2.803 -6.763 -2.404) 7.705 2.772 ( 0.601 -0.722 1.224) 1.543 2.873 ( 1.940 -3.738 2.286) 4.792 3.035 ( 9.915 -0.229 3.798) 10.620 3.156 ( 2.078 -3.728 1.460) 4.511 3.237 ( 7.717 -0.600 -0.388) 7.750 3.483 ( 5.525 1.297 0.785) 5.729 3.541 ( -2.933 -7.553 7.251) 10.873 3.591 ( 0.938 -9.126 5.249) 10.569 3.811 ( 0.808 -20.624 -7.291) 21.890 4.013 ( 0.809 -8.175 -4.967) 9.600 4.431 ( -2.894 -4.085 7.695) 9.180 4.450 ( 2.081 -4.337 0.789) 4.874 4.909 ( -10.115 -2.520 -1.639) 10.553 4.941 ( -8.388 5.556 1.131) 10.125 5.270 ( 12.506 10.062 -3.935) 16.527 5.541 ( -14.376 0.251 2.199) 14.545 5.593 ( -5.349 -0.064 -2.374) 5.852 5.667 ( -16.326 2.872 -1.896) 16.685 5.919 ( -11.212 5.278 -5.806) 13.685 6.370 ( 14.570 2.247 1.278) 14.797 6.447 ( -2.226 6.828 0.304) 7.188 6.512 ( 2.123 8.294 -2.215) 8.843 6.643 ( -2.366 2.682 6.379) 7.313 6.784 ( -4.865 -2.200 -4.676) 7.098 7.601 ( 3.187 -10.478 -1.192) 11.017 8.607 ( 4.049 2.266 -0.031) 4.640 8.806 ( 5.114 -2.559 0.920) 5.792 9.147 ( 7.948 8.557 1.176) 11.738 9.664 ( -8.435 8.435 -2.201) 12.130 10.158 ( 1.092 7.918 4.018) 8.946 10.267 ( 2.113 4.559 -6.215) 7.992 11.041 ( -0.595 0.802 0.646) 1.189 11.092 ( -1.912 -2.526 -0.090) 3.169 11.218 ( 3.850 -1.627 0.352) 4.195 13.210 ( -1.013 8.134 3.869) 9.063 13.367 ( -0.263 -3.990 3.802) 5.517 13.636 ( 0.388 -4.073 -2.435) 4.761 13.663 ( 1.095 6.698 -5.404) 8.675 13.985 ( -8.241 6.889 0.166) 10.743 14.505 ( 0.559 -0.529 0.960) 1.230 14.747 ( -0.400 -3.440 0.116) 3.466 16.381 ( 0.107 0.668 -0.292) 0.737 16.411 ( -1.552 -5.312 -0.171) 5.537 16.728 ( 12.670 -26.164 -2.629) 29.189 ======================= Grid point 292 (96/105) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 0.867 12.593) 12.622 1.946 ( 0.000 0.681 -10.812) 10.834 1.970 ( -0.000 -12.338 13.074) 17.977 2.446 ( -0.000 -2.970 5.549) 6.294 2.761 ( 0.000 3.982 5.428) 6.733 2.915 ( -0.000 -0.620 -0.538) 0.821 3.097 ( 0.000 5.355 3.762) 6.544 3.207 ( -0.000 -3.531 0.765) 3.613 3.333 ( -0.000 -2.608 1.069) 2.819 3.487 ( 0.000 1.063 -7.166) 7.245 3.605 ( -0.000 -7.369 10.258) 12.630 3.743 ( -0.000 -11.055 7.092) 13.134 4.047 ( -0.000 -20.516 -4.942) 21.103 4.179 ( -0.000 -11.841 2.763) 12.159 4.429 ( -0.000 -4.531 8.516) 9.647 4.571 ( -0.000 -8.884 -8.251) 12.124 4.790 ( 0.000 6.436 1.374) 6.581 4.844 ( -0.000 -2.267 -2.445) 3.334 5.307 ( 0.000 8.584 -4.669) 9.771 5.355 ( 0.000 0.330 0.686) 0.761 5.459 ( 0.000 9.350 -0.448) 9.361 5.521 ( 0.000 4.967 -0.608) 5.004 5.746 ( 0.000 1.803 -7.036) 7.263 6.370 ( 0.000 4.205 -0.181) 4.209 6.406 ( 0.000 9.387 -0.944) 9.435 6.484 ( 0.000 1.861 0.436) 1.911 6.611 ( 0.000 1.391 8.229) 8.346 6.780 ( -0.000 -2.173 -6.478) 6.833 7.732 ( -0.000 -8.347 -1.287) 8.446 8.621 ( 0.000 1.760 -0.023) 1.760 8.880 ( -0.000 -2.993 1.075) 3.180 9.122 ( 0.000 7.607 0.898) 7.660 9.512 ( 0.000 5.984 -2.483) 6.479 10.051 ( 0.000 11.038 1.342) 11.119 10.270 ( -0.000 -0.425 -5.511) 5.527 11.026 ( 0.000 0.563 0.708) 0.904 11.096 ( -0.000 -1.446 -0.177) 1.456 11.263 ( -0.000 -0.922 0.466) 1.033 13.126 ( 0.000 5.342 2.665) 5.969 13.408 ( -0.000 -3.721 3.668) 5.225 13.521 ( 0.000 13.194 -4.889) 14.071 13.737 ( -0.000 -6.281 1.505) 6.459 13.868 ( 0.000 1.947 -2.837) 3.441 14.516 ( -0.000 -0.465 0.663) 0.810 14.782 ( -0.000 -2.866 1.125) 3.079 16.357 ( 0.000 1.773 -0.381) 1.814 16.454 ( -0.000 -4.294 -0.028) 4.295 17.113 ( -0.000 -21.192 -1.945) 21.281 ======================= Grid point 295 (97/105) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -11.235 -0.000 -3.853) 11.878 2.026 ( -16.596 -0.000 -0.865) 16.619 2.101 ( 4.486 0.000 3.181) 5.500 2.442 ( 6.292 0.000 8.738) 10.768 2.443 ( -1.860 -0.000 5.951) 6.235 2.715 ( -5.982 -0.000 -2.321) 6.416 3.123 ( -9.222 -0.000 0.180) 9.223 3.128 ( -3.725 -0.000 3.983) 5.453 3.259 ( -5.053 -0.000 -7.823) 9.313 3.339 ( 6.702 0.000 -0.100) 6.703 3.732 ( 0.455 0.000 3.818) 3.845 3.756 ( -5.618 -0.000 11.500) 12.799 3.920 ( -14.131 -0.000 -4.824) 14.932 4.264 ( 1.151 0.000 0.631) 1.312 4.597 ( -0.586 -0.000 1.059) 1.210 4.650 ( -44.210 -0.000 -1.000) 44.222 4.710 ( 32.920 0.000 -0.884) 32.932 4.961 ( 20.755 0.000 1.737) 20.828 5.313 ( -1.483 -0.000 0.907) 1.739 5.557 ( -2.000 -0.000 1.170) 2.317 5.662 ( -2.020 -0.000 -1.673) 2.623 6.071 ( 2.471 0.000 -1.028) 2.676 6.126 ( -2.254 -0.000 -0.944) 2.444 6.347 ( -1.676 -0.000 -1.861) 2.505 6.366 ( 6.712 0.000 0.090) 6.713 6.550 ( 10.118 0.000 -2.775) 10.491 6.727 ( 6.833 0.000 -0.787) 6.878 7.330 ( -10.293 -0.000 -1.392) 10.387 7.960 ( -30.971 -0.000 0.483) 30.975 8.415 ( 33.950 0.000 -1.142) 33.969 8.420 ( 3.040 0.000 0.497) 3.080 8.579 ( -2.620 -0.000 0.026) 2.620 9.929 ( 2.245 0.000 0.373) 2.276 10.342 ( 20.379 0.000 -0.843) 20.396 10.383 ( 5.946 0.000 3.232) 6.768 10.805 ( -13.276 -0.000 -4.397) 13.986 11.019 ( -2.009 -0.000 -0.334) 2.036 11.202 ( -0.758 -0.000 -0.218) 0.788 13.123 ( -1.299 -0.000 4.464) 4.649 13.258 ( 1.015 0.000 -5.168) 5.267 13.726 ( 4.457 0.000 3.064) 5.409 13.946 ( 3.414 0.000 8.236) 8.916 14.420 ( -1.992 -0.000 -0.095) 1.995 14.434 ( 11.639 0.000 -6.076) 13.130 14.732 ( 2.679 0.000 -5.303) 5.941 15.743 ( -33.635 -0.000 2.087) 33.700 16.340 ( -2.809 -0.000 -0.809) 2.923 16.586 ( -0.048 -0.000 -0.534) 0.536 ======================= Grid point 296 (98/105) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -11.393 2.727 0.686) 11.735 1.862 ( -8.609 -9.175 -9.947) 16.038 2.212 ( 8.469 0.819 3.200) 9.090 2.449 ( -1.842 -5.510 6.719) 8.882 2.516 ( -5.698 -6.663 4.815) 10.002 2.660 ( 4.500 0.877 -3.769) 5.935 2.975 ( -8.371 -0.726 0.958) 8.457 3.062 ( -3.541 -0.673 0.120) 3.606 3.192 ( -4.510 -2.934 -2.734) 6.035 3.408 ( -15.139 2.896 -0.295) 15.416 3.458 ( -10.467 -1.728 -0.532) 10.622 3.647 ( -1.769 11.103 5.537) 12.532 3.895 ( -12.535 -7.847 8.376) 16.996 4.020 ( -16.855 -1.347 -4.040) 17.384 4.268 ( 1.717 4.252 -0.983) 4.690 4.571 ( -3.402 -0.728 2.977) 4.579 5.049 ( 15.484 2.031 -0.269) 15.619 5.207 ( -10.366 -0.979 0.381) 10.419 5.426 ( -5.384 1.461 1.800) 5.862 5.496 ( 28.341 2.616 -1.108) 28.483 5.625 ( -1.670 -4.511 -1.840) 5.150 6.035 ( -5.393 2.167 -0.512) 5.835 6.097 ( -3.743 -1.764 0.268) 4.147 6.296 ( -3.587 1.105 -3.602) 5.202 6.493 ( 7.747 -0.065 2.515) 8.145 6.657 ( 6.786 5.593 -3.597) 9.501 6.910 ( 7.958 -8.633 -0.311) 11.745 7.120 ( -12.672 3.000 -1.162) 13.074 7.434 ( -31.834 -0.868 -0.418) 31.848 8.507 ( 7.269 0.003 0.943) 7.330 8.558 ( 1.826 0.854 0.541) 2.087 8.910 ( 26.580 3.625 -0.422) 26.829 9.993 ( 3.411 -2.583 0.529) 4.311 10.433 ( -1.796 4.385 7.375) 8.766 10.581 ( -3.063 6.995 -7.123) 10.442 10.685 ( 17.387 -2.703 0.289) 17.599 11.000 ( -3.082 -4.020 -0.711) 5.115 11.174 ( -2.172 0.314 0.096) 2.197 13.127 ( -1.409 -4.939 3.850) 6.419 13.286 ( 0.414 -2.443 -4.739) 5.347 13.730 ( 3.172 10.503 5.093) 12.096 13.994 ( 3.369 2.308 5.126) 6.554 14.398 ( -1.716 -1.202 -0.315) 2.119 14.508 ( -0.942 0.300 1.089) 1.470 14.952 ( 11.842 -12.134 -7.185) 18.415 15.213 ( -23.994 3.403 -4.250) 24.604 16.296 ( -3.811 -2.247 -1.058) 4.549 16.563 ( -1.855 1.016 -0.631) 2.207 ======================= Grid point 297 (99/105) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -7.038 -3.526 10.612) 13.213 1.914 ( -2.103 -14.619 -17.704) 23.055 2.214 ( -6.992 4.051 2.042) 8.335 2.520 ( 4.139 -10.618 4.387) 12.211 2.545 ( -7.102 -9.112 0.848) 11.584 2.694 ( -21.068 1.541 -3.368) 21.391 2.864 ( -7.000 -4.261 1.819) 8.394 2.894 ( -6.271 -2.465 0.863) 6.793 3.077 ( 2.021 -6.281 -2.866) 7.193 3.182 ( -4.764 -8.850 3.058) 10.505 3.443 ( -1.592 4.114 4.226) 6.109 3.544 ( 2.506 7.115 0.471) 7.558 3.655 ( -10.071 -2.478 -2.901) 10.769 4.090 ( 2.708 -3.552 8.225) 9.360 4.239 ( 2.386 4.573 -4.768) 7.024 4.498 ( -5.987 -0.450 5.631) 8.232 5.012 ( -13.182 -1.988 -0.471) 13.339 5.223 ( -3.710 3.061 2.445) 5.395 5.297 ( 9.649 3.699 -3.240) 10.830 5.531 ( -6.466 -3.570 -2.036) 7.662 5.844 ( -15.722 -0.371 0.352) 15.731 5.986 ( -3.443 1.753 2.219) 4.456 6.054 ( 18.899 2.064 -2.775) 19.212 6.218 ( -0.922 2.300 -3.210) 4.055 6.585 ( 3.222 1.749 4.669) 5.937 6.679 ( 3.013 3.678 -4.454) 6.515 6.870 ( -11.344 5.129 -0.541) 12.461 6.968 ( -16.586 -0.766 0.400) 16.608 7.171 ( 4.309 -9.036 -2.046) 10.218 8.602 ( 4.729 1.646 0.011) 5.007 8.639 ( 7.576 -0.911 1.034) 7.700 9.214 ( 17.467 6.747 0.898) 18.746 10.079 ( 2.977 -1.877 0.604) 3.571 10.188 ( -11.847 8.689 -0.179) 14.693 10.576 ( 7.671 10.117 0.703) 12.716 10.960 ( 9.521 -2.862 2.018) 10.145 11.006 ( -0.495 -4.365 -1.380) 4.605 11.134 ( -1.900 -0.085 0.325) 1.930 13.180 ( -0.977 -7.958 4.701) 9.295 13.324 ( -0.326 -4.635 -5.681) 7.339 13.620 ( 0.995 14.788 6.472) 16.173 13.994 ( 3.140 7.331 0.173) 7.977 14.352 ( -5.721 2.132 0.296) 6.112 14.479 ( -1.833 -1.072 3.641) 4.215 14.768 ( -15.164 1.014 -2.007) 15.330 15.475 ( 16.569 -24.103 -11.120) 31.291 16.272 ( -3.227 -4.245 -1.272) 5.482 16.510 ( -2.827 1.299 -0.686) 3.186 ======================= Grid point 298 (100/105) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.477 -9.892 18.881) 21.458 1.906 ( -25.396 3.076 7.971) 26.794 2.064 ( -13.269 -6.427 -12.730) 19.478 2.134 ( -4.974 -10.052 -13.633) 17.653 2.671 ( -0.453 -9.831 -0.701) 9.866 2.720 ( 3.777 -5.809 1.238) 7.039 2.946 ( 3.578 -9.270 4.665) 10.978 3.009 ( 8.723 -4.815 -0.947) 10.009 3.228 ( -5.529 -15.924 7.087) 18.286 3.254 ( 5.432 -10.207 -1.851) 11.710 3.397 ( 3.328 4.399 3.163) 6.358 3.503 ( -0.789 1.126 -3.964) 4.196 3.591 ( -4.613 -4.476 -0.804) 6.478 4.058 ( -0.081 9.553 0.783) 9.586 4.310 ( 3.003 -5.862 0.528) 6.608 4.403 ( -5.731 -1.057 7.153) 9.226 4.843 ( -9.556 -2.663 -1.244) 9.998 5.066 ( -6.311 4.978 1.227) 8.131 5.411 ( -1.029 1.006 -1.114) 1.820 5.506 ( -4.711 0.768 0.686) 4.822 5.561 ( -4.528 -1.208 -4.337) 6.385 5.828 ( -5.300 7.491 2.511) 9.513 6.022 ( -9.406 3.779 -6.474) 12.027 6.427 ( 14.901 2.735 1.129) 15.191 6.572 ( -0.981 1.416 3.104) 3.550 6.628 ( -4.471 5.103 -2.126) 7.110 6.731 ( 0.774 2.099 -0.542) 2.302 6.782 ( -3.769 4.819 -0.090) 6.118 7.358 ( 3.201 -11.147 -1.563) 11.702 8.657 ( 3.824 2.060 -0.289) 4.353 8.758 ( 4.712 -1.776 1.041) 5.142 9.342 ( 8.533 8.574 1.471) 12.185 9.891 ( -7.629 11.638 -1.677) 14.016 10.161 ( 1.830 -2.286 1.003) 3.095 10.545 ( 4.412 14.194 0.710) 14.881 11.008 ( -2.136 -5.101 0.096) 5.531 11.062 ( -0.187 1.068 0.726) 1.305 11.178 ( 4.530 -1.962 0.573) 4.970 13.256 ( -0.215 -7.071 5.984) 9.266 13.386 ( -0.581 -8.359 -6.469) 10.586 13.461 ( -0.366 14.191 5.583) 15.255 13.949 ( 3.769 10.574 -2.067) 11.414 14.149 ( -9.509 7.641 0.688) 12.218 14.483 ( -0.225 -1.821 3.018) 3.532 14.659 ( -2.938 -4.117 -3.537) 6.172 16.021 ( 11.397 -30.745 -6.567) 33.440 16.288 ( -1.400 -6.065 -1.919) 6.514 16.450 ( -2.614 1.062 -0.733) 2.915 ======================= Grid point 299 (101/105) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 1.535 7.588) 7.742 1.687 ( -0.000 -12.751 19.850) 23.593 1.968 ( 0.000 1.227 -6.376) 6.493 2.284 ( -0.000 -13.043 -11.381) 17.311 2.747 ( -0.000 -4.637 -0.000) 4.637 2.812 ( -0.000 -7.129 0.665) 7.160 3.102 ( -0.000 -8.500 3.030) 9.024 3.136 ( -0.000 -1.073 3.909) 4.053 3.372 ( 0.000 6.916 -4.369) 8.181 3.374 ( -0.000 -17.101 11.614) 20.672 3.421 ( -0.000 -14.002 1.058) 14.042 3.556 ( -0.000 -1.023 2.246) 2.468 3.620 ( -0.000 -15.094 -5.934) 16.219 3.971 ( 0.000 2.533 -7.191) 7.624 4.359 ( -0.000 -1.862 9.486) 9.667 4.415 ( -0.000 -6.635 0.693) 6.672 4.787 ( -0.000 -2.678 -1.548) 3.093 4.938 ( 0.000 6.549 1.555) 6.731 5.336 ( -0.000 -1.622 2.190) 2.726 5.418 ( 0.000 1.326 -5.110) 5.279 5.647 ( 0.000 5.897 -0.271) 5.903 5.676 ( 0.000 9.169 2.685) 9.554 5.833 ( 0.000 5.501 -9.128) 10.658 6.495 ( 0.000 6.637 -0.171) 6.639 6.514 ( 0.000 2.324 3.145) 3.910 6.598 ( 0.000 0.649 -0.724) 0.972 6.662 ( 0.000 7.942 2.797) 8.420 6.749 ( -0.000 -0.230 -3.042) 3.051 7.508 ( -0.000 -11.249 -1.356) 11.330 8.667 ( 0.000 2.232 -0.310) 2.253 8.822 ( -0.000 -2.357 1.031) 2.572 9.313 ( 0.000 9.245 1.486) 9.364 9.700 ( 0.000 10.806 -2.106) 11.010 10.194 ( -0.000 -0.717 2.048) 2.169 10.415 ( 0.000 15.095 -2.305) 15.270 11.035 ( -0.000 -2.297 0.739) 2.413 11.048 ( -0.000 -0.560 -0.014) 0.560 11.235 ( -0.000 -1.470 0.624) 1.597 13.311 ( 0.000 11.727 4.654) 12.617 13.318 ( -0.000 -4.644 5.100) 6.897 13.497 ( -0.000 -12.340 -5.154) 13.373 13.859 ( 0.000 15.844 -5.247) 16.690 13.971 ( 0.000 5.341 1.880) 5.662 14.499 ( -0.000 -1.215 1.891) 2.248 14.693 ( -0.000 -4.982 -1.586) 5.228 16.327 ( -0.000 -7.554 0.529) 7.573 16.402 ( 0.000 2.133 -0.459) 2.181 16.503 ( -0.000 -31.560 -6.165) 32.157 ======================= Grid point 304 (102/105) ======================= q-point: ( 0.38 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -8.647 -0.000 -7.934) 11.736 1.666 ( -4.916 -0.000 -8.323) 9.666 2.284 ( -13.508 -0.000 1.959) 13.649 2.366 ( 4.418 0.000 5.310) 6.907 2.421 ( 5.460 0.000 -0.210) 5.464 2.736 ( -46.455 -0.000 -0.465) 46.458 2.794 ( 4.157 0.000 3.555) 5.470 2.884 ( 2.054 0.000 -4.705) 5.134 2.999 ( -3.293 -0.000 -1.542) 3.636 3.078 ( -6.379 -0.000 0.811) 6.431 3.510 ( 2.492 0.000 -1.143) 2.742 3.540 ( -14.405 -0.000 2.492) 14.619 3.759 ( 1.590 0.000 6.505) 6.697 3.962 ( 2.952 0.000 2.343) 3.769 4.327 ( 1.942 0.000 -2.865) 3.461 4.494 ( -5.791 -0.000 6.217) 8.497 4.990 ( -13.407 -0.000 -0.266) 13.410 5.258 ( -4.917 -0.000 2.149) 5.367 5.339 ( 12.111 0.000 -2.885) 12.449 5.490 ( -6.837 -0.000 -1.815) 7.074 5.833 ( -18.583 -0.000 -0.548) 18.591 6.008 ( 6.795 0.000 3.304) 7.556 6.082 ( 13.292 0.000 -3.068) 13.641 6.245 ( -0.447 -0.000 -2.910) 2.944 6.601 ( 3.833 0.000 5.177) 6.441 6.727 ( -4.148 -0.000 -4.349) 6.010 6.928 ( -11.439 -0.000 -0.663) 11.459 6.971 ( 5.293 0.000 0.258) 5.299 7.049 ( -10.245 -0.000 -2.733) 10.604 8.621 ( 4.673 0.000 -0.039) 4.673 8.629 ( 7.248 0.000 1.242) 7.353 9.296 ( 17.623 0.000 0.702) 17.637 10.045 ( 4.199 0.000 0.871) 4.289 10.315 ( -10.901 -0.000 0.946) 10.942 10.701 ( 7.960 0.000 1.172) 8.045 10.904 ( 0.594 0.000 1.564) 1.673 10.954 ( 9.985 0.000 -1.475) 10.094 11.134 ( -2.692 -0.000 0.435) 2.727 13.076 ( -1.196 -0.000 2.216) 2.518 13.282 ( 0.440 0.000 -3.351) 3.380 13.858 ( 3.272 0.000 3.925) 5.110 14.048 ( 2.564 0.000 9.849) 10.177 14.367 ( -1.277 -0.000 -0.619) 1.419 14.459 ( -5.145 -0.000 5.706) 7.682 14.775 ( -18.041 -0.000 -0.827) 18.060 15.180 ( 12.578 0.000 -21.182) 24.635 16.223 ( -3.370 -0.000 -1.366) 3.637 16.525 ( -3.092 -0.000 -0.715) 3.174 ======================= Grid point 306 (103/105) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -4.141 1.303 2.156) 4.848 1.717 ( -1.317 -15.187 -19.163) 24.486 1.976 ( -34.990 2.088 1.559) 35.087 2.090 ( -11.397 -0.515 -0.769) 11.434 2.426 ( -0.866 -7.878 0.409) 7.936 2.628 ( 11.058 -3.484 1.428) 11.681 2.784 ( -1.945 -3.338 1.251) 4.061 2.949 ( -1.750 -1.574 1.622) 2.858 3.003 ( -2.261 -3.240 -0.466) 3.978 3.070 ( 6.251 -5.817 -3.795) 9.344 3.375 ( -6.309 -1.808 1.724) 6.785 3.531 ( -1.072 -0.916 -0.186) 1.423 3.715 ( 1.757 10.541 4.139) 11.460 4.069 ( 2.650 -7.363 6.249) 10.015 4.324 ( 1.003 4.683 -5.394) 7.213 4.391 ( -6.041 -0.183 8.518) 10.444 4.802 ( -9.258 -0.994 -0.946) 9.359 5.146 ( -4.584 2.059 0.678) 5.071 5.380 ( -8.446 -1.461 2.271) 8.867 5.509 ( -15.695 -0.561 -4.087) 16.228 5.586 ( 15.383 1.612 -1.664) 15.556 5.942 ( -4.455 2.653 3.659) 6.346 6.080 ( -7.888 1.452 -7.046) 10.675 6.477 ( 15.716 1.464 0.976) 15.814 6.561 ( -4.455 -0.743 2.340) 5.087 6.712 ( 0.859 1.086 -0.299) 1.416 6.753 ( -6.416 1.363 -0.152) 6.561 6.937 ( 1.047 7.847 -1.919) 8.146 7.129 ( 2.736 -9.511 -1.812) 10.061 8.690 ( 3.690 0.822 -0.401) 3.802 8.732 ( 4.466 -0.629 1.279) 4.688 9.489 ( 8.654 3.968 1.352) 9.616 10.113 ( 1.595 0.176 0.711) 1.756 10.123 ( -5.765 5.744 -0.842) 8.182 10.784 ( 5.564 6.273 4.125) 9.345 10.888 ( -2.419 -4.481 -0.032) 5.092 11.087 ( -0.552 1.110 0.735) 1.441 11.136 ( 5.974 -1.667 0.660) 6.237 13.089 ( -0.669 -5.143 1.967) 5.547 13.296 ( 0.306 -1.381 -3.319) 3.608 13.808 ( 1.375 14.336 6.261) 15.704 14.082 ( 1.701 1.619 4.431) 5.015 14.291 ( -6.352 4.709 4.568) 9.132 14.401 ( -2.691 -5.654 6.594) 9.094 14.593 ( -5.033 -1.512 -8.359) 9.873 15.453 ( 8.624 -16.403 -18.698) 26.325 16.192 ( -1.854 -2.430 -1.579) 3.440 16.474 ( -2.417 0.643 -0.669) 2.589 ======================= Grid point 307 (104/105) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.000 -6.153 14.947) 16.164 1.626 ( 0.000 1.535 2.108) 2.608 1.908 ( -0.000 -19.140 -25.290) 31.716 1.994 ( 0.000 0.963 -1.128) 1.483 2.536 ( -0.000 -12.490 -1.207) 12.549 2.729 ( -0.000 -0.389 0.921) 1.000 2.916 ( -0.000 -6.498 5.323) 8.400 2.949 ( -0.000 -16.364 4.451) 16.959 3.044 ( -0.000 -4.745 -5.158) 7.008 3.204 ( -0.000 -7.265 -2.368) 7.641 3.381 ( -0.000 -7.336 0.934) 7.395 3.511 ( 0.000 0.921 2.043) 2.241 3.610 ( 0.000 11.162 0.747) 11.187 4.140 ( 0.000 1.669 7.519) 7.702 4.292 ( -0.000 -0.028 -7.191) 7.191 4.337 ( -0.000 -0.457 9.713) 9.724 4.736 ( -0.000 -1.792 -1.302) 2.215 5.064 ( 0.000 4.686 1.427) 4.898 5.290 ( -0.000 -2.391 3.984) 4.646 5.413 ( -0.000 -0.827 -6.424) 6.477 5.756 ( 0.000 3.657 -0.015) 3.657 5.828 ( 0.000 4.408 3.503) 5.630 5.946 ( 0.000 4.269 -8.722) 9.711 6.532 ( -0.000 -1.064 2.791) 2.987 6.603 ( 0.000 1.803 -0.131) 1.807 6.629 ( 0.000 4.804 -0.450) 4.825 6.746 ( -0.000 -0.324 0.824) 0.885 6.857 ( 0.000 8.507 -1.284) 8.604 7.264 ( -0.000 -10.647 -1.852) 10.807 8.710 ( 0.000 1.480 -0.508) 1.565 8.780 ( -0.000 -1.324 1.202) 1.789 9.499 ( 0.000 6.966 1.598) 7.147 9.955 ( 0.000 11.312 -1.659) 11.433 10.157 ( -0.000 -1.885 1.025) 2.146 10.731 ( 0.000 11.686 3.395) 12.170 10.927 ( -0.000 -5.953 -0.020) 5.953 11.067 ( 0.000 0.938 0.806) 1.237 11.203 ( -0.000 -1.294 0.819) 1.531 13.161 ( -0.000 -8.588 3.277) 9.192 13.323 ( -0.000 -3.238 -4.484) 5.531 13.636 ( 0.000 17.200 6.681) 18.452 14.070 ( 0.000 3.341 2.593) 4.229 14.149 ( 0.000 9.534 0.355) 9.540 14.444 ( -0.000 -4.625 5.252) 6.998 14.588 ( -0.000 -3.715 -7.007) 7.931 15.781 ( -0.000 -28.291 -12.788) 31.047 16.216 ( -0.000 -4.663 -1.866) 5.023 16.441 ( 0.000 1.309 -0.560) 1.424 ======================= Grid point 315 (105/105) ======================= q-point: (-0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 6.24e-05 6.24e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 -0.000 -11.388) 11.388 1.595 ( 0.000 0.000 -10.758) 10.758 1.645 ( 0.000 0.000 -0.394) 0.394 2.005 ( -0.000 -0.000 1.472) 1.472 2.376 ( -0.000 -0.000 -1.570) 1.570 2.749 ( 0.000 0.000 0.116) 0.116 2.757 ( -0.000 -0.000 2.923) 2.923 2.828 ( -0.000 -0.000 4.201) 4.201 2.990 ( 0.000 0.000 -5.436) 5.436 3.121 ( -0.000 -0.000 -3.887) 3.887 3.300 ( -0.000 -0.000 2.428) 2.428 3.520 ( 0.000 0.000 0.865) 0.865 3.799 ( -0.000 -0.000 5.301) 5.301 4.043 ( 0.000 0.000 4.600) 4.600 4.332 ( -0.000 -0.000 9.781) 9.781 4.360 ( -0.000 -0.000 -5.268) 5.268 4.715 ( -0.000 -0.000 -1.257) 1.257 5.124 ( 0.000 0.000 0.527) 0.527 5.254 ( -0.000 -0.000 5.691) 5.691 5.402 ( -0.000 -0.000 -7.046) 7.046 5.797 ( -0.000 -0.000 0.086) 0.086 5.874 ( -0.000 -0.000 2.461) 2.461 5.997 ( -0.000 -0.000 -7.311) 7.311 6.515 ( -0.000 -0.000 1.471) 1.471 6.633 ( -0.000 -0.000 1.216) 1.216 6.684 ( -0.000 -0.000 -0.600) 0.600 6.737 ( -0.000 -0.000 1.746) 1.746 7.028 ( -0.000 -0.000 -5.139) 5.139 7.067 ( -0.000 -0.000 0.622) 0.622 8.727 ( -0.000 -0.000 -0.565) 0.565 8.766 ( -0.000 -0.000 1.354) 1.354 9.582 ( -0.000 -0.000 1.461) 1.461 10.105 ( -0.000 -0.000 -1.430) 1.430 10.132 ( -0.000 -0.000 1.093) 1.093 10.839 ( -0.000 -0.000 -0.111) 0.111 10.868 ( -0.000 -0.000 5.643) 5.643 11.079 ( -0.000 -0.000 0.828) 0.828 11.187 ( -0.000 -0.000 0.931) 0.931 13.055 ( -0.000 -0.000 1.224) 1.224 13.293 ( -0.000 -0.000 -2.745) 2.745 13.916 ( 0.000 0.000 4.326) 4.326 14.107 ( -0.000 -0.000 2.753) 2.753 14.243 ( -0.000 -0.000 19.555) 19.555 14.342 ( -0.000 -0.000 -0.821) 0.821 14.549 ( 0.000 0.000 -9.853) 9.853 15.429 ( 0.000 0.000 -22.544) 22.544 16.163 ( -0.000 -0.000 -1.650) 1.650 16.456 ( -0.000 -0.000 -0.608) 0.608 =================== 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 3/27648 10.0 281.651 580.365 324.225 0.000 0.000 0.000 3/27648 20.0 76.867 93.786 72.446 0.000 0.000 0.000 3/27648 30.0 32.999 38.302 31.081 0.000 0.000 0.000 3/27648 40.0 20.157 22.576 18.371 0.000 0.000 0.000 3/27648 50.0 14.589 15.649 12.648 0.000 0.000 0.000 3/27648 60.0 11.598 11.882 9.526 0.000 0.000 0.000 3/27648 70.0 9.737 9.558 7.607 0.000 0.000 0.000 3/27648 80.0 8.450 7.997 6.325 0.000 0.000 0.000 3/27648 90.0 7.494 6.883 5.415 0.000 0.000 0.000 3/27648 100.0 6.748 6.051 4.739 0.000 0.000 0.000 3/27648 110.0 6.146 5.406 4.217 0.000 0.000 0.000 3/27648 120.0 5.648 4.892 3.804 0.000 0.000 0.000 3/27648 130.0 5.229 4.473 3.467 0.000 0.000 0.000 3/27648 140.0 4.870 4.124 3.189 0.000 0.000 0.000 3/27648 150.0 4.560 3.828 2.954 0.000 0.000 0.000 3/27648 160.0 4.288 3.575 2.754 0.000 0.000 0.000 3/27648 170.0 4.049 3.355 2.580 0.000 0.000 0.000 3/27648 180.0 3.836 3.162 2.428 0.000 0.000 0.000 3/27648 190.0 3.645 2.992 2.294 0.000 0.000 0.000 3/27648 200.0 3.473 2.839 2.175 0.000 0.000 0.000 3/27648 210.0 3.316 2.703 2.068 0.000 0.000 0.000 3/27648 220.0 3.174 2.579 1.972 0.000 0.000 0.000 3/27648 230.0 3.044 2.466 1.885 0.000 0.000 0.000 3/27648 240.0 2.924 2.364 1.805 0.000 0.000 0.000 3/27648 250.0 2.814 2.270 1.732 0.000 0.000 0.000 3/27648 260.0 2.711 2.183 1.665 0.000 0.000 0.000 3/27648 270.0 2.616 2.103 1.603 0.000 0.000 0.000 3/27648 280.0 2.528 2.028 1.546 0.000 0.000 0.000 3/27648 290.0 2.445 1.959 1.492 0.000 0.000 0.000 3/27648 300.0 2.368 1.894 1.443 0.000 0.000 0.000 3/27648 310.0 2.295 1.834 1.396 0.000 0.000 0.000 3/27648 320.0 2.227 1.777 1.353 0.000 0.000 0.000 3/27648 330.0 2.162 1.724 1.312 0.000 0.000 0.000 3/27648 340.0 2.102 1.674 1.273 0.000 0.000 0.000 3/27648 350.0 2.044 1.627 1.237 0.000 0.000 0.000 3/27648 360.0 1.990 1.582 1.203 0.000 0.000 0.000 3/27648 370.0 1.938 1.540 1.171 0.000 0.000 0.000 3/27648 380.0 1.889 1.500 1.140 0.000 0.000 0.000 3/27648 390.0 1.843 1.462 1.111 0.000 0.000 0.000 3/27648 400.0 1.798 1.426 1.084 0.000 0.000 0.000 3/27648 410.0 1.756 1.392 1.057 0.000 0.000 0.000 3/27648 420.0 1.716 1.359 1.032 0.000 0.000 0.000 3/27648 430.0 1.677 1.328 1.008 0.000 0.000 0.000 3/27648 440.0 1.640 1.298 0.986 0.000 0.000 0.000 3/27648 450.0 1.605 1.269 0.964 0.000 0.000 0.000 3/27648 460.0 1.571 1.242 0.943 0.000 0.000 0.000 3/27648 470.0 1.539 1.216 0.923 0.000 0.000 0.000 3/27648 480.0 1.508 1.191 0.904 0.000 0.000 0.000 3/27648 490.0 1.478 1.167 0.886 0.000 0.000 0.000 3/27648 500.0 1.449 1.144 0.868 0.000 0.000 0.000 3/27648 510.0 1.421 1.122 0.851 0.000 0.000 0.000 3/27648 520.0 1.395 1.100 0.835 0.000 0.000 0.000 3/27648 530.0 1.369 1.080 0.819 0.000 0.000 0.000 3/27648 540.0 1.344 1.060 0.804 0.000 0.000 0.000 3/27648 550.0 1.321 1.041 0.790 0.000 0.000 0.000 3/27648 560.0 1.298 1.023 0.776 0.000 0.000 0.000 3/27648 570.0 1.275 1.005 0.762 0.000 0.000 0.000 3/27648 580.0 1.254 0.988 0.749 0.000 0.000 0.000 3/27648 590.0 1.233 0.971 0.737 0.000 0.000 0.000 3/27648 600.0 1.213 0.955 0.724 0.000 0.000 0.000 3/27648 610.0 1.193 0.939 0.713 0.000 0.000 0.000 3/27648 620.0 1.174 0.924 0.701 0.000 0.000 0.000 3/27648 630.0 1.156 0.910 0.690 0.000 0.000 0.000 3/27648 640.0 1.138 0.896 0.679 0.000 0.000 0.000 3/27648 650.0 1.121 0.882 0.669 0.000 0.000 0.000 3/27648 660.0 1.105 0.869 0.659 0.000 0.000 0.000 3/27648 670.0 1.088 0.856 0.649 0.000 0.000 0.000 3/27648 680.0 1.073 0.843 0.640 0.000 0.000 0.000 3/27648 690.0 1.057 0.831 0.630 0.000 0.000 0.000 3/27648 700.0 1.042 0.819 0.621 0.000 0.000 0.000 3/27648 710.0 1.028 0.808 0.613 0.000 0.000 0.000 3/27648 720.0 1.014 0.797 0.604 0.000 0.000 0.000 3/27648 730.0 1.000 0.786 0.596 0.000 0.000 0.000 3/27648 740.0 0.987 0.775 0.588 0.000 0.000 0.000 3/27648 750.0 0.974 0.765 0.580 0.000 0.000 0.000 3/27648 760.0 0.961 0.755 0.573 0.000 0.000 0.000 3/27648 770.0 0.949 0.745 0.565 0.000 0.000 0.000 3/27648 780.0 0.937 0.736 0.558 0.000 0.000 0.000 3/27648 790.0 0.925 0.727 0.551 0.000 0.000 0.000 3/27648 800.0 0.914 0.718 0.544 0.000 0.000 0.000 3/27648 810.0 0.903 0.709 0.537 0.000 0.000 0.000 3/27648 820.0 0.892 0.700 0.531 0.000 0.000 0.000 3/27648 830.0 0.881 0.692 0.524 0.000 0.000 0.000 3/27648 840.0 0.871 0.684 0.518 0.000 0.000 0.000 3/27648 850.0 0.861 0.676 0.512 0.000 0.000 0.000 3/27648 860.0 0.851 0.668 0.506 0.000 0.000 0.000 3/27648 870.0 0.841 0.660 0.500 0.000 0.000 0.000 3/27648 880.0 0.832 0.653 0.495 0.000 0.000 0.000 3/27648 890.0 0.822 0.645 0.489 0.000 0.000 0.000 3/27648 900.0 0.813 0.638 0.484 0.000 0.000 0.000 3/27648 910.0 0.805 0.631 0.479 0.000 0.000 0.000 3/27648 920.0 0.796 0.624 0.473 0.000 0.000 0.000 3/27648 930.0 0.787 0.618 0.468 0.000 0.000 0.000 3/27648 940.0 0.779 0.611 0.463 0.000 0.000 0.000 3/27648 950.0 0.771 0.605 0.458 0.000 0.000 0.000 3/27648 960.0 0.763 0.599 0.454 0.000 0.000 0.000 3/27648 970.0 0.755 0.592 0.449 0.000 0.000 0.000 3/27648 980.0 0.748 0.586 0.444 0.000 0.000 0.000 3/27648 990.0 0.740 0.580 0.440 0.000 0.000 0.000 3/27648 1000.0 0.733 0.575 0.436 0.000 0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:51:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|