----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:06:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.013232955000000 -6.873167135000000 0.000000000000000 b 2.013232955000000 6.873167135000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): *1 K 0.11339798857498 0.88660201142502 0.75000000000000 39.098 2 K 0.88660201142502 0.11339798857498 0.25000000000000 39.098 *3 Cu 0.83930892832142 0.16069107167858 0.75000000000000 63.546 4 Cu 0.16069107167858 0.83930892832142 0.25000000000000 63.546 *5 Se 0.56383079474768 0.43616920525232 0.25000000000000 78.960 6 Se 0.43616920525232 0.56383079474768 0.75000000000000 78.960 *7 Se 0.26497345468883 0.73502654531117 0.38930503408828 78.960 8 Se 0.73502654531117 0.26497345468883 0.61069496591172 78.960 9 Se 0.73502654531117 0.26497345468883 0.88930503408828 78.960 10 Se 0.26497345468883 0.73502654531117 0.11069496591172 78.960 *11 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 12 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 *13 Er 0.36624279055418 0.63375720944582 0.93503767085175 167.259 14 Er 0.63375720944582 0.36624279055418 0.06496232914825 167.259 15 Er 0.63375720944582 0.36624279055418 0.43503767085175 167.259 16 Er 0.36624279055418 0.63375720944582 0.56496232914825 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.026465910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.746334270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): *1 K 0.50000000000000 0.38660201142502 0.75000000000000 39.098 > 1 2 K 0.00000000000000 0.11339798857498 0.25000000000000 39.098 > 2 3 K 0.00000000000000 0.88660201142502 0.75000000000000 39.098 > 1 4 K 0.50000000000000 0.61339798857498 0.25000000000000 39.098 > 2 *5 Cu 0.00000000000000 0.16069107167858 0.75000000000000 63.546 > 3 6 Cu 0.50000000000000 0.33930892832142 0.25000000000000 63.546 > 4 7 Cu 0.50000000000000 0.66069107167858 0.75000000000000 63.546 > 3 8 Cu 0.00000000000000 0.83930892832142 0.25000000000000 63.546 > 4 *9 Se 0.00000000000000 0.43616920525232 0.25000000000000 78.960 > 5 10 Se 0.50000000000000 0.06383079474768 0.75000000000000 78.960 > 6 *11 Se 0.50000000000000 0.23502654531117 0.38930503408828 78.960 > 7 12 Se 0.00000000000000 0.26497345468883 0.61069496591172 78.960 > 8 13 Se 0.00000000000000 0.26497345468883 0.88930503408828 78.960 > 9 14 Se 0.50000000000000 0.23502654531117 0.11069496591172 78.960 > 10 *15 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 11 16 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 12 17 Se 0.50000000000000 0.93616920525232 0.25000000000000 78.960 > 5 18 Se 0.00000000000000 0.56383079474768 0.75000000000000 78.960 > 6 19 Se 0.00000000000000 0.73502654531117 0.38930503408828 78.960 > 7 20 Se 0.50000000000000 0.76497345468883 0.61069496591172 78.960 > 8 21 Se 0.50000000000000 0.76497345468883 0.88930503408828 78.960 > 9 22 Se 0.00000000000000 0.73502654531117 0.11069496591172 78.960 > 10 23 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 11 24 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 12 *25 Er 0.50000000000000 0.13375720944582 0.93503767085175 167.259 > 13 26 Er 0.00000000000000 0.36624279055418 0.06496232914825 167.259 > 14 27 Er 0.00000000000000 0.36624279055418 0.43503767085175 167.259 > 15 28 Er 0.50000000000000 0.13375720944582 0.56496232914825 167.259 > 16 29 Er 0.00000000000000 0.63375720944582 0.93503767085175 167.259 > 13 30 Er 0.50000000000000 0.86624279055418 0.06496232914825 167.259 > 14 31 Er 0.50000000000000 0.86624279055418 0.43503767085175 167.259 > 15 32 Er 0.00000000000000 0.63375720944582 0.56496232914825 167.259 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.105863639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.746334270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): *1 K 0.12500000000000 0.38660201142502 0.75000000000000 39.098 > 1 2 K 0.37500000000000 0.38660201142502 0.75000000000000 39.098 > 1 3 K 0.62500000000000 0.38660201142502 0.75000000000000 39.098 > 1 4 K 0.87500000000000 0.38660201142502 0.75000000000000 39.098 > 1 5 K 0.00000000000000 0.11339798857498 0.25000000000000 39.098 > 2 6 K 0.25000000000000 0.11339798857498 0.25000000000000 39.098 > 2 7 K 0.50000000000000 0.11339798857498 0.25000000000000 39.098 > 2 8 K 0.75000000000000 0.11339798857498 0.25000000000000 39.098 > 2 9 K 0.00000000000000 0.88660201142502 0.75000000000000 39.098 > 1 10 K 0.25000000000000 0.88660201142502 0.75000000000000 39.098 > 1 11 K 0.50000000000000 0.88660201142502 0.75000000000000 39.098 > 1 12 K 0.75000000000000 0.88660201142502 0.75000000000000 39.098 > 1 13 K 0.12500000000000 0.61339798857498 0.25000000000000 39.098 > 2 14 K 0.37500000000000 0.61339798857498 0.25000000000000 39.098 > 2 15 K 0.62500000000000 0.61339798857498 0.25000000000000 39.098 > 2 16 K 0.87500000000000 0.61339798857498 0.25000000000000 39.098 > 2 *17 Cu 0.00000000000000 0.16069107167858 0.75000000000000 63.546 > 3 18 Cu 0.25000000000000 0.16069107167858 0.75000000000000 63.546 > 3 19 Cu 0.50000000000000 0.16069107167858 0.75000000000000 63.546 > 3 20 Cu 0.75000000000000 0.16069107167858 0.75000000000000 63.546 > 3 21 Cu 0.12500000000000 0.33930892832142 0.25000000000000 63.546 > 4 22 Cu 0.37500000000000 0.33930892832142 0.25000000000000 63.546 > 4 23 Cu 0.62500000000000 0.33930892832142 0.25000000000000 63.546 > 4 24 Cu 0.87500000000000 0.33930892832142 0.25000000000000 63.546 > 4 25 Cu 0.12500000000000 0.66069107167858 0.75000000000000 63.546 > 3 26 Cu 0.37500000000000 0.66069107167858 0.75000000000000 63.546 > 3 27 Cu 0.62500000000000 0.66069107167858 0.75000000000000 63.546 > 3 28 Cu 0.87500000000000 0.66069107167858 0.75000000000000 63.546 > 3 29 Cu 0.00000000000000 0.83930892832142 0.25000000000000 63.546 > 4 30 Cu 0.25000000000000 0.83930892832142 0.25000000000000 63.546 > 4 31 Cu 0.50000000000000 0.83930892832142 0.25000000000000 63.546 > 4 32 Cu 0.75000000000000 0.83930892832142 0.25000000000000 63.546 > 4 *33 Se 0.00000000000000 0.43616920525232 0.25000000000000 78.960 > 5 34 Se 0.25000000000000 0.43616920525232 0.25000000000000 78.960 > 5 35 Se 0.50000000000000 0.43616920525232 0.25000000000000 78.960 > 5 36 Se 0.75000000000000 0.43616920525232 0.25000000000000 78.960 > 5 37 Se 0.12500000000000 0.06383079474768 0.75000000000000 78.960 > 6 38 Se 0.37500000000000 0.06383079474768 0.75000000000000 78.960 > 6 39 Se 0.62500000000000 0.06383079474768 0.75000000000000 78.960 > 6 40 Se 0.87500000000000 0.06383079474768 0.75000000000000 78.960 > 6 *41 Se 0.12500000000000 0.23502654531117 0.38930503408828 78.960 > 7 42 Se 0.37500000000000 0.23502654531117 0.38930503408828 78.960 > 7 43 Se 0.62500000000000 0.23502654531117 0.38930503408828 78.960 > 7 44 Se 0.87500000000000 0.23502654531117 0.38930503408828 78.960 > 7 45 Se 0.00000000000000 0.26497345468883 0.61069496591172 78.960 > 8 46 Se 0.25000000000000 0.26497345468883 0.61069496591172 78.960 > 8 47 Se 0.50000000000000 0.26497345468883 0.61069496591172 78.960 > 8 48 Se 0.75000000000000 0.26497345468883 0.61069496591172 78.960 > 8 49 Se 0.00000000000000 0.26497345468883 0.88930503408828 78.960 > 9 50 Se 0.25000000000000 0.26497345468883 0.88930503408828 78.960 > 9 51 Se 0.50000000000000 0.26497345468883 0.88930503408828 78.960 > 9 52 Se 0.75000000000000 0.26497345468883 0.88930503408828 78.960 > 9 53 Se 0.12500000000000 0.23502654531117 0.11069496591172 78.960 > 10 54 Se 0.37500000000000 0.23502654531117 0.11069496591172 78.960 > 10 55 Se 0.62500000000000 0.23502654531117 0.11069496591172 78.960 > 10 56 Se 0.87500000000000 0.23502654531117 0.11069496591172 78.960 > 10 *57 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 11 58 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 11 59 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 11 60 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 11 61 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 12 62 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 12 63 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 12 64 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 12 65 Se 0.12500000000000 0.93616920525232 0.25000000000000 78.960 > 5 66 Se 0.37500000000000 0.93616920525232 0.25000000000000 78.960 > 5 67 Se 0.62500000000000 0.93616920525232 0.25000000000000 78.960 > 5 68 Se 0.87500000000000 0.93616920525232 0.25000000000000 78.960 > 5 69 Se 0.00000000000000 0.56383079474768 0.75000000000000 78.960 > 6 70 Se 0.25000000000000 0.56383079474768 0.75000000000000 78.960 > 6 71 Se 0.50000000000000 0.56383079474768 0.75000000000000 78.960 > 6 72 Se 0.75000000000000 0.56383079474768 0.75000000000000 78.960 > 6 73 Se 0.00000000000000 0.73502654531117 0.38930503408828 78.960 > 7 74 Se 0.25000000000000 0.73502654531117 0.38930503408828 78.960 > 7 75 Se 0.50000000000000 0.73502654531117 0.38930503408828 78.960 > 7 76 Se 0.75000000000000 0.73502654531117 0.38930503408828 78.960 > 7 77 Se 0.12500000000000 0.76497345468883 0.61069496591172 78.960 > 8 78 Se 0.37500000000000 0.76497345468883 0.61069496591172 78.960 > 8 79 Se 0.62500000000000 0.76497345468883 0.61069496591172 78.960 > 8 80 Se 0.87500000000000 0.76497345468883 0.61069496591172 78.960 > 8 81 Se 0.12500000000000 0.76497345468883 0.88930503408828 78.960 > 9 82 Se 0.37500000000000 0.76497345468883 0.88930503408828 78.960 > 9 83 Se 0.62500000000000 0.76497345468883 0.88930503408828 78.960 > 9 84 Se 0.87500000000000 0.76497345468883 0.88930503408828 78.960 > 9 85 Se 0.00000000000000 0.73502654531117 0.11069496591172 78.960 > 10 86 Se 0.25000000000000 0.73502654531117 0.11069496591172 78.960 > 10 87 Se 0.50000000000000 0.73502654531117 0.11069496591172 78.960 > 10 88 Se 0.75000000000000 0.73502654531117 0.11069496591172 78.960 > 10 89 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 11 90 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 11 91 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 11 92 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 11 93 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 12 94 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 12 95 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 12 96 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 12 *97 Er 0.12500000000000 0.13375720944582 0.93503767085175 167.259 > 13 98 Er 0.37500000000000 0.13375720944582 0.93503767085175 167.259 > 13 99 Er 0.62500000000000 0.13375720944582 0.93503767085175 167.259 > 13 100 Er 0.87500000000000 0.13375720944582 0.93503767085175 167.259 > 13 101 Er 0.00000000000000 0.36624279055418 0.06496232914825 167.259 > 14 102 Er 0.25000000000000 0.36624279055418 0.06496232914825 167.259 > 14 103 Er 0.50000000000000 0.36624279055418 0.06496232914825 167.259 > 14 104 Er 0.75000000000000 0.36624279055418 0.06496232914825 167.259 > 14 105 Er 0.00000000000000 0.36624279055418 0.43503767085175 167.259 > 15 106 Er 0.25000000000000 0.36624279055418 0.43503767085175 167.259 > 15 107 Er 0.50000000000000 0.36624279055418 0.43503767085175 167.259 > 15 108 Er 0.75000000000000 0.36624279055418 0.43503767085175 167.259 > 15 109 Er 0.12500000000000 0.13375720944582 0.56496232914825 167.259 > 16 110 Er 0.37500000000000 0.13375720944582 0.56496232914825 167.259 > 16 111 Er 0.62500000000000 0.13375720944582 0.56496232914825 167.259 > 16 112 Er 0.87500000000000 0.13375720944582 0.56496232914825 167.259 > 16 113 Er 0.00000000000000 0.63375720944582 0.93503767085175 167.259 > 13 114 Er 0.25000000000000 0.63375720944582 0.93503767085175 167.259 > 13 115 Er 0.50000000000000 0.63375720944582 0.93503767085175 167.259 > 13 116 Er 0.75000000000000 0.63375720944582 0.93503767085175 167.259 > 13 117 Er 0.12500000000000 0.86624279055418 0.06496232914825 167.259 > 14 118 Er 0.37500000000000 0.86624279055418 0.06496232914825 167.259 > 14 119 Er 0.62500000000000 0.86624279055418 0.06496232914825 167.259 > 14 120 Er 0.87500000000000 0.86624279055418 0.06496232914825 167.259 > 14 121 Er 0.12500000000000 0.86624279055418 0.43503767085175 167.259 > 15 122 Er 0.37500000000000 0.86624279055418 0.43503767085175 167.259 > 15 123 Er 0.62500000000000 0.86624279055418 0.43503767085175 167.259 > 15 124 Er 0.87500000000000 0.86624279055418 0.43503767085175 167.259 > 15 125 Er 0.00000000000000 0.63375720944582 0.56496232914825 167.259 > 16 126 Er 0.25000000000000 0.63375720944582 0.56496232914825 167.259 > 16 127 Er 0.50000000000000 0.63375720944582 0.56496232914825 167.259 > 16 128 Er 0.75000000000000 0.63375720944582 0.56496232914825 167.259 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8651623 0.0000000 0.0000000 0.0000000 6.8130325 0.0000000 0.0000000 0.0000000 9.0830589 -------------------------- Born effective charges -------------------------- 1 K 1.1304511 0.0000000 0.0000000 0.0000000 1.5422646 0.0000000 0.0000000 0.0000000 1.3282771 2 K 1.1304511 0.0000000 0.0000000 0.0000000 1.5422646 0.0000000 0.0000000 0.0000000 1.3282771 3 Cu 0.6023811 0.0000000 0.0000000 0.0000000 0.4532466 0.0000000 0.0000000 0.0000000 0.6446418 4 Cu 0.6023811 0.0000000 0.0000000 0.0000000 0.4532466 0.0000000 0.0000000 0.0000000 0.6446418 5 Se -1.6167587 0.0000000 0.0000000 0.0000000 -1.4348530 0.0000000 0.0000000 0.0000000 -3.6351312 6 Se -1.6167587 0.0000000 0.0000000 0.0000000 -1.4348530 0.0000000 0.0000000 0.0000000 -3.6351312 7 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 0.4524967 0.0000000 0.6670738 -2.9027593 8 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 0.4524967 0.0000000 0.6670738 -2.9027593 9 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 -0.4524967 0.0000000 -0.6670738 -2.9027593 10 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 -0.4524967 0.0000000 -0.6670738 -2.9027593 11 Se -4.3380428 0.0000000 0.0000000 0.0000000 -3.1219680 -1.0517785 0.0000000 -0.8490239 -1.5345966 12 Se -4.3380428 0.0000000 0.0000000 0.0000000 -3.1219680 1.0517785 0.0000000 0.8490239 -1.5345966 13 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 -0.0368102 0.0000000 0.3632238 4.5011637 14 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 -0.0368102 0.0000000 0.3632238 4.5011637 15 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 0.0368102 0.0000000 -0.3632238 4.5011637 16 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 0.0368102 0.0000000 -0.3632238 4.5011637 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 240 - Time: 0.539 Solver_block: 200 / 240 - Time: 0.522 Solver_block: 240 / 240 - Time: 0.300 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.394 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:07:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:07:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.013232955000000 -6.873167135000000 0.000000000000000 b 2.013232955000000 6.873167135000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): 1 K 0.11339798857498 0.88660201142502 0.75000000000000 39.098 2 K 0.88660201142502 0.11339798857498 0.25000000000000 39.098 3 Cu 0.83930892832142 0.16069107167858 0.75000000000000 63.546 4 Cu 0.16069107167858 0.83930892832142 0.25000000000000 63.546 5 Se 0.56383079474768 0.43616920525232 0.25000000000000 78.960 6 Se 0.43616920525232 0.56383079474768 0.75000000000000 78.960 7 Se 0.26497345468883 0.73502654531117 0.38930503408828 78.960 8 Se 0.73502654531117 0.26497345468883 0.61069496591172 78.960 9 Se 0.73502654531117 0.26497345468883 0.88930503408828 78.960 10 Se 0.26497345468883 0.73502654531117 0.11069496591172 78.960 11 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 12 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 13 Er 0.36624279055418 0.63375720944582 0.93503767085175 167.259 14 Er 0.63375720944582 0.36624279055418 0.06496232914825 167.259 15 Er 0.63375720944582 0.36624279055418 0.43503767085175 167.259 16 Er 0.36624279055418 0.63375720944582 0.56496232914825 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.105863639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.746334270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): 1 K 0.12500000000000 0.38660201142502 0.75000000000000 39.098 > 1 2 K 0.37500000000000 0.38660201142502 0.75000000000000 39.098 > 1 3 K 0.62500000000000 0.38660201142502 0.75000000000000 39.098 > 1 4 K 0.87500000000000 0.38660201142502 0.75000000000000 39.098 > 1 5 K 0.00000000000000 0.11339798857498 0.25000000000000 39.098 > 5 6 K 0.25000000000000 0.11339798857498 0.25000000000000 39.098 > 5 7 K 0.50000000000000 0.11339798857498 0.25000000000000 39.098 > 5 8 K 0.75000000000000 0.11339798857498 0.25000000000000 39.098 > 5 9 K 0.00000000000000 0.88660201142502 0.75000000000000 39.098 > 1 10 K 0.25000000000000 0.88660201142502 0.75000000000000 39.098 > 1 11 K 0.50000000000000 0.88660201142502 0.75000000000000 39.098 > 1 12 K 0.75000000000000 0.88660201142502 0.75000000000000 39.098 > 1 13 K 0.12500000000000 0.61339798857498 0.25000000000000 39.098 > 5 14 K 0.37500000000000 0.61339798857498 0.25000000000000 39.098 > 5 15 K 0.62500000000000 0.61339798857498 0.25000000000000 39.098 > 5 16 K 0.87500000000000 0.61339798857498 0.25000000000000 39.098 > 5 17 Cu 0.00000000000000 0.16069107167858 0.75000000000000 63.546 > 17 18 Cu 0.25000000000000 0.16069107167858 0.75000000000000 63.546 > 17 19 Cu 0.50000000000000 0.16069107167858 0.75000000000000 63.546 > 17 20 Cu 0.75000000000000 0.16069107167858 0.75000000000000 63.546 > 17 21 Cu 0.12500000000000 0.33930892832142 0.25000000000000 63.546 > 21 22 Cu 0.37500000000000 0.33930892832142 0.25000000000000 63.546 > 21 23 Cu 0.62500000000000 0.33930892832142 0.25000000000000 63.546 > 21 24 Cu 0.87500000000000 0.33930892832142 0.25000000000000 63.546 > 21 25 Cu 0.12500000000000 0.66069107167858 0.75000000000000 63.546 > 17 26 Cu 0.37500000000000 0.66069107167858 0.75000000000000 63.546 > 17 27 Cu 0.62500000000000 0.66069107167858 0.75000000000000 63.546 > 17 28 Cu 0.87500000000000 0.66069107167858 0.75000000000000 63.546 > 17 29 Cu 0.00000000000000 0.83930892832142 0.25000000000000 63.546 > 21 30 Cu 0.25000000000000 0.83930892832142 0.25000000000000 63.546 > 21 31 Cu 0.50000000000000 0.83930892832142 0.25000000000000 63.546 > 21 32 Cu 0.75000000000000 0.83930892832142 0.25000000000000 63.546 > 21 33 Se 0.00000000000000 0.43616920525232 0.25000000000000 78.960 > 33 34 Se 0.25000000000000 0.43616920525232 0.25000000000000 78.960 > 33 35 Se 0.50000000000000 0.43616920525232 0.25000000000000 78.960 > 33 36 Se 0.75000000000000 0.43616920525232 0.25000000000000 78.960 > 33 37 Se 0.12500000000000 0.06383079474768 0.75000000000000 78.960 > 37 38 Se 0.37500000000000 0.06383079474768 0.75000000000000 78.960 > 37 39 Se 0.62500000000000 0.06383079474768 0.75000000000000 78.960 > 37 40 Se 0.87500000000000 0.06383079474768 0.75000000000000 78.960 > 37 41 Se 0.12500000000000 0.23502654531117 0.38930503408828 78.960 > 41 42 Se 0.37500000000000 0.23502654531117 0.38930503408828 78.960 > 41 43 Se 0.62500000000000 0.23502654531117 0.38930503408828 78.960 > 41 44 Se 0.87500000000000 0.23502654531117 0.38930503408828 78.960 > 41 45 Se 0.00000000000000 0.26497345468883 0.61069496591172 78.960 > 45 46 Se 0.25000000000000 0.26497345468883 0.61069496591172 78.960 > 45 47 Se 0.50000000000000 0.26497345468883 0.61069496591172 78.960 > 45 48 Se 0.75000000000000 0.26497345468883 0.61069496591172 78.960 > 45 49 Se 0.00000000000000 0.26497345468883 0.88930503408828 78.960 > 49 50 Se 0.25000000000000 0.26497345468883 0.88930503408828 78.960 > 49 51 Se 0.50000000000000 0.26497345468883 0.88930503408828 78.960 > 49 52 Se 0.75000000000000 0.26497345468883 0.88930503408828 78.960 > 49 53 Se 0.12500000000000 0.23502654531117 0.11069496591172 78.960 > 53 54 Se 0.37500000000000 0.23502654531117 0.11069496591172 78.960 > 53 55 Se 0.62500000000000 0.23502654531117 0.11069496591172 78.960 > 53 56 Se 0.87500000000000 0.23502654531117 0.11069496591172 78.960 > 53 57 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 57 58 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 57 59 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 57 60 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 57 61 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 61 62 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 61 63 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 61 64 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 61 65 Se 0.12500000000000 0.93616920525232 0.25000000000000 78.960 > 33 66 Se 0.37500000000000 0.93616920525232 0.25000000000000 78.960 > 33 67 Se 0.62500000000000 0.93616920525232 0.25000000000000 78.960 > 33 68 Se 0.87500000000000 0.93616920525232 0.25000000000000 78.960 > 33 69 Se 0.00000000000000 0.56383079474768 0.75000000000000 78.960 > 37 70 Se 0.25000000000000 0.56383079474768 0.75000000000000 78.960 > 37 71 Se 0.50000000000000 0.56383079474768 0.75000000000000 78.960 > 37 72 Se 0.75000000000000 0.56383079474768 0.75000000000000 78.960 > 37 73 Se 0.00000000000000 0.73502654531117 0.38930503408828 78.960 > 41 74 Se 0.25000000000000 0.73502654531117 0.38930503408828 78.960 > 41 75 Se 0.50000000000000 0.73502654531117 0.38930503408828 78.960 > 41 76 Se 0.75000000000000 0.73502654531117 0.38930503408828 78.960 > 41 77 Se 0.12500000000000 0.76497345468883 0.61069496591172 78.960 > 45 78 Se 0.37500000000000 0.76497345468883 0.61069496591172 78.960 > 45 79 Se 0.62500000000000 0.76497345468883 0.61069496591172 78.960 > 45 80 Se 0.87500000000000 0.76497345468883 0.61069496591172 78.960 > 45 81 Se 0.12500000000000 0.76497345468883 0.88930503408828 78.960 > 49 82 Se 0.37500000000000 0.76497345468883 0.88930503408828 78.960 > 49 83 Se 0.62500000000000 0.76497345468883 0.88930503408828 78.960 > 49 84 Se 0.87500000000000 0.76497345468883 0.88930503408828 78.960 > 49 85 Se 0.00000000000000 0.73502654531117 0.11069496591172 78.960 > 53 86 Se 0.25000000000000 0.73502654531117 0.11069496591172 78.960 > 53 87 Se 0.50000000000000 0.73502654531117 0.11069496591172 78.960 > 53 88 Se 0.75000000000000 0.73502654531117 0.11069496591172 78.960 > 53 89 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 57 90 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 57 91 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 57 92 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 57 93 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 61 94 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 61 95 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 61 96 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 61 97 Er 0.12500000000000 0.13375720944582 0.93503767085175 167.259 > 97 98 Er 0.37500000000000 0.13375720944582 0.93503767085175 167.259 > 97 99 Er 0.62500000000000 0.13375720944582 0.93503767085175 167.259 > 97 100 Er 0.87500000000000 0.13375720944582 0.93503767085175 167.259 > 97 101 Er 0.00000000000000 0.36624279055418 0.06496232914825 167.259 > 101 102 Er 0.25000000000000 0.36624279055418 0.06496232914825 167.259 > 101 103 Er 0.50000000000000 0.36624279055418 0.06496232914825 167.259 > 101 104 Er 0.75000000000000 0.36624279055418 0.06496232914825 167.259 > 101 105 Er 0.00000000000000 0.36624279055418 0.43503767085175 167.259 > 105 106 Er 0.25000000000000 0.36624279055418 0.43503767085175 167.259 > 105 107 Er 0.50000000000000 0.36624279055418 0.43503767085175 167.259 > 105 108 Er 0.75000000000000 0.36624279055418 0.43503767085175 167.259 > 105 109 Er 0.12500000000000 0.13375720944582 0.56496232914825 167.259 > 109 110 Er 0.37500000000000 0.13375720944582 0.56496232914825 167.259 > 109 111 Er 0.62500000000000 0.13375720944582 0.56496232914825 167.259 > 109 112 Er 0.87500000000000 0.13375720944582 0.56496232914825 167.259 > 109 113 Er 0.00000000000000 0.63375720944582 0.93503767085175 167.259 > 97 114 Er 0.25000000000000 0.63375720944582 0.93503767085175 167.259 > 97 115 Er 0.50000000000000 0.63375720944582 0.93503767085175 167.259 > 97 116 Er 0.75000000000000 0.63375720944582 0.93503767085175 167.259 > 97 117 Er 0.12500000000000 0.86624279055418 0.06496232914825 167.259 > 101 118 Er 0.37500000000000 0.86624279055418 0.06496232914825 167.259 > 101 119 Er 0.62500000000000 0.86624279055418 0.06496232914825 167.259 > 101 120 Er 0.87500000000000 0.86624279055418 0.06496232914825 167.259 > 101 121 Er 0.12500000000000 0.86624279055418 0.43503767085175 167.259 > 105 122 Er 0.37500000000000 0.86624279055418 0.43503767085175 167.259 > 105 123 Er 0.62500000000000 0.86624279055418 0.43503767085175 167.259 > 105 124 Er 0.87500000000000 0.86624279055418 0.43503767085175 167.259 > 105 125 Er 0.00000000000000 0.63375720944582 0.56496232914825 167.259 > 109 126 Er 0.25000000000000 0.63375720944582 0.56496232914825 167.259 > 109 127 Er 0.50000000000000 0.63375720944582 0.56496232914825 167.259 > 109 128 Er 0.75000000000000 0.63375720944582 0.56496232914825 167.259 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8651623 0.0000000 0.0000000 0.0000000 6.8130325 0.0000000 0.0000000 0.0000000 9.0830589 -------------------------- Born effective charges -------------------------- 1 K 1.1304511 0.0000000 0.0000000 0.0000000 1.5422646 0.0000000 0.0000000 0.0000000 1.3282771 2 K 1.1304511 0.0000000 0.0000000 0.0000000 1.5422646 0.0000000 0.0000000 0.0000000 1.3282771 3 Cu 0.6023811 0.0000000 0.0000000 0.0000000 0.4532466 0.0000000 0.0000000 0.0000000 0.6446418 4 Cu 0.6023811 0.0000000 0.0000000 0.0000000 0.4532466 0.0000000 0.0000000 0.0000000 0.6446418 5 Se -1.6167587 0.0000000 0.0000000 0.0000000 -1.4348530 0.0000000 0.0000000 0.0000000 -3.6351312 6 Se -1.6167587 0.0000000 0.0000000 0.0000000 -1.4348530 0.0000000 0.0000000 0.0000000 -3.6351312 7 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 0.4524967 0.0000000 0.6670738 -2.9027593 8 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 0.4524967 0.0000000 0.6670738 -2.9027593 9 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 -0.4524967 0.0000000 -0.6670738 -2.9027593 10 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 -0.4524967 0.0000000 -0.6670738 -2.9027593 11 Se -4.3380428 0.0000000 0.0000000 0.0000000 -3.1219680 -1.0517785 0.0000000 -0.8490239 -1.5345966 12 Se -4.3380428 0.0000000 0.0000000 0.0000000 -3.1219680 1.0517785 0.0000000 0.8490239 -1.5345966 13 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 -0.0368102 0.0000000 0.3632238 4.5011637 14 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 -0.0368102 0.0000000 0.3632238 4.5011637 15 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 0.0368102 0.0000000 -0.3632238 4.5011637 16 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 0.0368102 0.0000000 -0.3632238 4.5011637 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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[ 57, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:07:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:07:28]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.013232955000000 -6.873167135000000 0.000000000000000 b 2.013232955000000 6.873167135000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): 1 K 0.11339798857498 0.88660201142502 0.75000000000000 39.098 2 K 0.88660201142502 0.11339798857498 0.25000000000000 39.098 3 Cu 0.83930892832142 0.16069107167858 0.75000000000000 63.546 4 Cu 0.16069107167858 0.83930892832142 0.25000000000000 63.546 5 Se 0.56383079474768 0.43616920525232 0.25000000000000 78.960 6 Se 0.43616920525232 0.56383079474768 0.75000000000000 78.960 7 Se 0.26497345468883 0.73502654531117 0.38930503408828 78.960 8 Se 0.73502654531117 0.26497345468883 0.61069496591172 78.960 9 Se 0.73502654531117 0.26497345468883 0.88930503408828 78.960 10 Se 0.26497345468883 0.73502654531117 0.11069496591172 78.960 11 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 12 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 13 Er 0.36624279055418 0.63375720944582 0.93503767085175 167.259 14 Er 0.63375720944582 0.36624279055418 0.06496232914825 167.259 15 Er 0.63375720944582 0.36624279055418 0.43503767085175 167.259 16 Er 0.36624279055418 0.63375720944582 0.56496232914825 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.105863639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.746334270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.097399400000000 Atomic positions (fractional): 1 K 0.12500000000000 0.38660201142502 0.75000000000000 39.098 > 1 2 K 0.37500000000000 0.38660201142502 0.75000000000000 39.098 > 1 3 K 0.62500000000000 0.38660201142502 0.75000000000000 39.098 > 1 4 K 0.87500000000000 0.38660201142502 0.75000000000000 39.098 > 1 5 K 0.00000000000000 0.11339798857498 0.25000000000000 39.098 > 5 6 K 0.25000000000000 0.11339798857498 0.25000000000000 39.098 > 5 7 K 0.50000000000000 0.11339798857498 0.25000000000000 39.098 > 5 8 K 0.75000000000000 0.11339798857498 0.25000000000000 39.098 > 5 9 K 0.00000000000000 0.88660201142502 0.75000000000000 39.098 > 1 10 K 0.25000000000000 0.88660201142502 0.75000000000000 39.098 > 1 11 K 0.50000000000000 0.88660201142502 0.75000000000000 39.098 > 1 12 K 0.75000000000000 0.88660201142502 0.75000000000000 39.098 > 1 13 K 0.12500000000000 0.61339798857498 0.25000000000000 39.098 > 5 14 K 0.37500000000000 0.61339798857498 0.25000000000000 39.098 > 5 15 K 0.62500000000000 0.61339798857498 0.25000000000000 39.098 > 5 16 K 0.87500000000000 0.61339798857498 0.25000000000000 39.098 > 5 17 Cu 0.00000000000000 0.16069107167858 0.75000000000000 63.546 > 17 18 Cu 0.25000000000000 0.16069107167858 0.75000000000000 63.546 > 17 19 Cu 0.50000000000000 0.16069107167858 0.75000000000000 63.546 > 17 20 Cu 0.75000000000000 0.16069107167858 0.75000000000000 63.546 > 17 21 Cu 0.12500000000000 0.33930892832142 0.25000000000000 63.546 > 21 22 Cu 0.37500000000000 0.33930892832142 0.25000000000000 63.546 > 21 23 Cu 0.62500000000000 0.33930892832142 0.25000000000000 63.546 > 21 24 Cu 0.87500000000000 0.33930892832142 0.25000000000000 63.546 > 21 25 Cu 0.12500000000000 0.66069107167858 0.75000000000000 63.546 > 17 26 Cu 0.37500000000000 0.66069107167858 0.75000000000000 63.546 > 17 27 Cu 0.62500000000000 0.66069107167858 0.75000000000000 63.546 > 17 28 Cu 0.87500000000000 0.66069107167858 0.75000000000000 63.546 > 17 29 Cu 0.00000000000000 0.83930892832142 0.25000000000000 63.546 > 21 30 Cu 0.25000000000000 0.83930892832142 0.25000000000000 63.546 > 21 31 Cu 0.50000000000000 0.83930892832142 0.25000000000000 63.546 > 21 32 Cu 0.75000000000000 0.83930892832142 0.25000000000000 63.546 > 21 33 Se 0.00000000000000 0.43616920525232 0.25000000000000 78.960 > 33 34 Se 0.25000000000000 0.43616920525232 0.25000000000000 78.960 > 33 35 Se 0.50000000000000 0.43616920525232 0.25000000000000 78.960 > 33 36 Se 0.75000000000000 0.43616920525232 0.25000000000000 78.960 > 33 37 Se 0.12500000000000 0.06383079474768 0.75000000000000 78.960 > 37 38 Se 0.37500000000000 0.06383079474768 0.75000000000000 78.960 > 37 39 Se 0.62500000000000 0.06383079474768 0.75000000000000 78.960 > 37 40 Se 0.87500000000000 0.06383079474768 0.75000000000000 78.960 > 37 41 Se 0.12500000000000 0.23502654531117 0.38930503408828 78.960 > 41 42 Se 0.37500000000000 0.23502654531117 0.38930503408828 78.960 > 41 43 Se 0.62500000000000 0.23502654531117 0.38930503408828 78.960 > 41 44 Se 0.87500000000000 0.23502654531117 0.38930503408828 78.960 > 41 45 Se 0.00000000000000 0.26497345468883 0.61069496591172 78.960 > 45 46 Se 0.25000000000000 0.26497345468883 0.61069496591172 78.960 > 45 47 Se 0.50000000000000 0.26497345468883 0.61069496591172 78.960 > 45 48 Se 0.75000000000000 0.26497345468883 0.61069496591172 78.960 > 45 49 Se 0.00000000000000 0.26497345468883 0.88930503408828 78.960 > 49 50 Se 0.25000000000000 0.26497345468883 0.88930503408828 78.960 > 49 51 Se 0.50000000000000 0.26497345468883 0.88930503408828 78.960 > 49 52 Se 0.75000000000000 0.26497345468883 0.88930503408828 78.960 > 49 53 Se 0.12500000000000 0.23502654531117 0.11069496591172 78.960 > 53 54 Se 0.37500000000000 0.23502654531117 0.11069496591172 78.960 > 53 55 Se 0.62500000000000 0.23502654531117 0.11069496591172 78.960 > 53 56 Se 0.87500000000000 0.23502654531117 0.11069496591172 78.960 > 53 57 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 57 58 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 57 59 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 57 60 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 57 61 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 61 62 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 61 63 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 61 64 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 61 65 Se 0.12500000000000 0.93616920525232 0.25000000000000 78.960 > 33 66 Se 0.37500000000000 0.93616920525232 0.25000000000000 78.960 > 33 67 Se 0.62500000000000 0.93616920525232 0.25000000000000 78.960 > 33 68 Se 0.87500000000000 0.93616920525232 0.25000000000000 78.960 > 33 69 Se 0.00000000000000 0.56383079474768 0.75000000000000 78.960 > 37 70 Se 0.25000000000000 0.56383079474768 0.75000000000000 78.960 > 37 71 Se 0.50000000000000 0.56383079474768 0.75000000000000 78.960 > 37 72 Se 0.75000000000000 0.56383079474768 0.75000000000000 78.960 > 37 73 Se 0.00000000000000 0.73502654531117 0.38930503408828 78.960 > 41 74 Se 0.25000000000000 0.73502654531117 0.38930503408828 78.960 > 41 75 Se 0.50000000000000 0.73502654531117 0.38930503408828 78.960 > 41 76 Se 0.75000000000000 0.73502654531117 0.38930503408828 78.960 > 41 77 Se 0.12500000000000 0.76497345468883 0.61069496591172 78.960 > 45 78 Se 0.37500000000000 0.76497345468883 0.61069496591172 78.960 > 45 79 Se 0.62500000000000 0.76497345468883 0.61069496591172 78.960 > 45 80 Se 0.87500000000000 0.76497345468883 0.61069496591172 78.960 > 45 81 Se 0.12500000000000 0.76497345468883 0.88930503408828 78.960 > 49 82 Se 0.37500000000000 0.76497345468883 0.88930503408828 78.960 > 49 83 Se 0.62500000000000 0.76497345468883 0.88930503408828 78.960 > 49 84 Se 0.87500000000000 0.76497345468883 0.88930503408828 78.960 > 49 85 Se 0.00000000000000 0.73502654531117 0.11069496591172 78.960 > 53 86 Se 0.25000000000000 0.73502654531117 0.11069496591172 78.960 > 53 87 Se 0.50000000000000 0.73502654531117 0.11069496591172 78.960 > 53 88 Se 0.75000000000000 0.73502654531117 0.11069496591172 78.960 > 53 89 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 57 90 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 57 91 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 57 92 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 57 93 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 61 94 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 61 95 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 61 96 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 61 97 Er 0.12500000000000 0.13375720944582 0.93503767085175 167.259 > 97 98 Er 0.37500000000000 0.13375720944582 0.93503767085175 167.259 > 97 99 Er 0.62500000000000 0.13375720944582 0.93503767085175 167.259 > 97 100 Er 0.87500000000000 0.13375720944582 0.93503767085175 167.259 > 97 101 Er 0.00000000000000 0.36624279055418 0.06496232914825 167.259 > 101 102 Er 0.25000000000000 0.36624279055418 0.06496232914825 167.259 > 101 103 Er 0.50000000000000 0.36624279055418 0.06496232914825 167.259 > 101 104 Er 0.75000000000000 0.36624279055418 0.06496232914825 167.259 > 101 105 Er 0.00000000000000 0.36624279055418 0.43503767085175 167.259 > 105 106 Er 0.25000000000000 0.36624279055418 0.43503767085175 167.259 > 105 107 Er 0.50000000000000 0.36624279055418 0.43503767085175 167.259 > 105 108 Er 0.75000000000000 0.36624279055418 0.43503767085175 167.259 > 105 109 Er 0.12500000000000 0.13375720944582 0.56496232914825 167.259 > 109 110 Er 0.37500000000000 0.13375720944582 0.56496232914825 167.259 > 109 111 Er 0.62500000000000 0.13375720944582 0.56496232914825 167.259 > 109 112 Er 0.87500000000000 0.13375720944582 0.56496232914825 167.259 > 109 113 Er 0.00000000000000 0.63375720944582 0.93503767085175 167.259 > 97 114 Er 0.25000000000000 0.63375720944582 0.93503767085175 167.259 > 97 115 Er 0.50000000000000 0.63375720944582 0.93503767085175 167.259 > 97 116 Er 0.75000000000000 0.63375720944582 0.93503767085175 167.259 > 97 117 Er 0.12500000000000 0.86624279055418 0.06496232914825 167.259 > 101 118 Er 0.37500000000000 0.86624279055418 0.06496232914825 167.259 > 101 119 Er 0.62500000000000 0.86624279055418 0.06496232914825 167.259 > 101 120 Er 0.87500000000000 0.86624279055418 0.06496232914825 167.259 > 101 121 Er 0.12500000000000 0.86624279055418 0.43503767085175 167.259 > 105 122 Er 0.37500000000000 0.86624279055418 0.43503767085175 167.259 > 105 123 Er 0.62500000000000 0.86624279055418 0.43503767085175 167.259 > 105 124 Er 0.87500000000000 0.86624279055418 0.43503767085175 167.259 > 105 125 Er 0.00000000000000 0.63375720944582 0.56496232914825 167.259 > 109 126 Er 0.25000000000000 0.63375720944582 0.56496232914825 167.259 > 109 127 Er 0.50000000000000 0.63375720944582 0.56496232914825 167.259 > 109 128 Er 0.75000000000000 0.63375720944582 0.56496232914825 167.259 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8651623 0.0000000 0.0000000 0.0000000 6.8130325 0.0000000 0.0000000 0.0000000 9.0830589 -------------------------- Born effective charges -------------------------- 1 K 1.1304511 0.0000000 0.0000000 0.0000000 1.5422646 0.0000000 0.0000000 0.0000000 1.3282771 2 K 1.1304511 0.0000000 0.0000000 0.0000000 1.5422646 0.0000000 0.0000000 0.0000000 1.3282771 3 Cu 0.6023811 0.0000000 0.0000000 0.0000000 0.4532466 0.0000000 0.0000000 0.0000000 0.6446418 4 Cu 0.6023811 0.0000000 0.0000000 0.0000000 0.4532466 0.0000000 0.0000000 0.0000000 0.6446418 5 Se -1.6167587 0.0000000 0.0000000 0.0000000 -1.4348530 0.0000000 0.0000000 0.0000000 -3.6351312 6 Se -1.6167587 0.0000000 0.0000000 0.0000000 -1.4348530 0.0000000 0.0000000 0.0000000 -3.6351312 7 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 0.4524967 0.0000000 0.6670738 -2.9027593 8 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 0.4524967 0.0000000 0.6670738 -2.9027593 9 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 -0.4524967 0.0000000 -0.6670738 -2.9027593 10 Se -2.6538462 0.0000000 0.0000000 0.0000000 -2.2061595 -0.4524967 0.0000000 -0.6670738 -2.9027593 11 Se -4.3380428 0.0000000 0.0000000 0.0000000 -3.1219680 -1.0517785 0.0000000 -0.8490239 -1.5345966 12 Se -4.3380428 0.0000000 0.0000000 0.0000000 -3.1219680 1.0517785 0.0000000 0.8490239 -1.5345966 13 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 -0.0368102 0.0000000 0.3632238 4.5011637 14 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 -0.0368102 0.0000000 0.3632238 4.5011637 15 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 0.0368102 0.0000000 -0.3632238 4.5011637 16 Er 4.7648309 0.0000000 0.0000000 0.0000000 3.4868144 0.0368102 0.0000000 -0.3632238 4.5011637 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 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 0.673 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 18.686 -4.542 0.000) 19.230 0.478 ( 24.376 -0.661 0.000) 24.385 0.824 ( 12.730 -4.836 0.000) 13.617 0.831 ( 38.562 -10.644 0.000) 40.004 1.231 ( 12.110 -1.271 0.000) 12.176 1.568 ( 6.780 -0.584 0.000) 6.805 1.802 ( 4.830 4.408 0.000) 6.539 1.813 ( 0.503 1.037 0.000) 1.153 1.883 ( 2.184 -2.348 0.000) 3.206 1.913 ( -0.193 0.643 0.000) 0.671 1.944 ( 4.579 5.003 0.000) 6.783 2.054 ( 7.775 3.335 0.000) 8.460 2.103 ( -0.418 1.859 0.000) 1.906 2.182 ( 4.299 -7.847 0.000) 8.948 2.547 ( 3.876 4.876 0.000) 6.229 2.880 ( -1.332 -0.025 0.000) 1.332 2.902 ( -0.555 -1.905 0.000) 1.985 2.913 ( 0.714 -0.345 0.000) 0.793 2.947 ( -7.891 3.915 0.000) 8.809 3.091 ( 0.857 -0.398 0.000) 0.945 3.230 ( -0.737 -1.355 0.000) 1.542 3.252 ( -6.835 -0.555 0.000) 6.858 3.660 ( 4.739 0.244 0.000) 4.745 3.703 ( 7.702 0.618 0.000) 7.727 3.888 ( 16.995 -0.021 0.000) 16.995 4.101 ( 1.231 1.629 0.000) 2.041 4.206 ( 3.962 0.626 0.000) 4.012 4.221 ( -2.169 -2.719 0.000) 3.478 4.295 ( 0.504 -1.060 0.000) 1.174 4.350 ( 0.131 3.475 0.000) 3.477 4.511 ( 2.229 -0.899 0.000) 2.403 4.551 ( -2.139 0.807 0.000) 2.286 4.763 ( 4.053 10.495 0.000) 11.251 4.786 ( -1.545 -0.132 0.000) 1.551 4.867 ( 0.725 0.028 0.000) 0.726 5.028 ( -0.602 1.232 0.000) 1.371 5.082 ( -4.826 0.675 0.000) 4.873 5.150 ( -3.897 0.423 0.000) 3.920 5.427 ( 0.278 0.634 0.000) 0.693 5.475 ( -6.454 -6.369 0.000) 9.067 5.672 ( 4.685 -2.890 0.000) 5.505 5.690 ( -1.543 0.516 0.000) 1.627 5.938 ( -1.484 0.279 0.000) 1.510 5.941 ( 0.018 0.289 0.000) 0.289 5.970 ( 3.103 -0.045 0.000) 3.104 6.027 ( -1.059 -1.141 0.000) 1.557 6.206 ( 0.337 8.681 0.000) 8.687 6.306 ( -4.486 -7.007 0.000) 8.320 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 16.676 -3.358 0.000) 17.010 0.928 ( 22.587 1.001 0.000) 22.609 1.146 ( 16.963 -4.529 0.000) 17.557 1.472 ( 11.073 -0.616 0.000) 11.090 1.551 ( 30.065 -7.049 0.000) 30.880 1.670 ( 4.048 -1.542 0.000) 4.332 1.814 ( 0.816 2.134 0.000) 2.285 1.893 ( 2.859 2.362 0.000) 3.708 1.910 ( 0.257 -0.248 0.000) 0.357 1.961 ( 8.476 1.410 0.000) 8.593 2.082 ( 9.386 0.013 0.000) 9.386 2.084 ( -0.704 1.358 0.000) 1.529 2.218 ( 12.012 4.961 0.000) 12.997 2.324 ( 5.934 -3.129 0.000) 6.708 2.642 ( 8.503 6.616 0.000) 10.773 2.751 ( -7.184 2.484 0.000) 7.601 2.886 ( 0.233 -0.292 0.000) 0.373 2.894 ( -1.232 -1.177 0.000) 1.704 2.951 ( 3.115 -0.952 0.000) 3.257 3.072 ( -7.221 1.287 0.000) 7.335 3.131 ( -1.213 -2.896 0.000) 3.140 3.229 ( 0.095 -0.788 0.000) 0.793 3.777 ( 7.220 0.493 0.000) 7.236 3.845 ( 7.497 1.786 0.000) 7.707 4.098 ( -1.795 0.266 0.000) 1.814 4.175 ( -4.070 -4.707 0.000) 6.223 4.190 ( 10.269 0.864 0.000) 10.305 4.285 ( 1.285 -0.191 0.000) 1.299 4.352 ( 2.062 3.048 0.000) 3.680 4.362 ( 10.028 -2.678 0.000) 10.379 4.517 ( -1.904 -2.525 0.000) 3.163 4.576 ( 3.769 -0.285 0.000) 3.779 4.751 ( -1.734 0.115 0.000) 1.738 4.772 ( 0.724 2.499 0.000) 2.602 4.887 ( 1.239 0.260 0.000) 1.266 4.952 ( -7.505 0.726 0.000) 7.540 5.007 ( -0.902 0.756 0.000) 1.177 5.064 ( -3.943 1.755 0.000) 4.316 5.384 ( -4.763 -0.974 0.000) 4.861 5.439 ( 1.127 -0.656 0.000) 1.304 5.650 ( -2.014 1.359 0.000) 2.430 5.756 ( 2.446 2.089 0.000) 3.217 5.917 ( 0.332 0.192 0.000) 0.384 5.940 ( 0.271 1.216 0.000) 1.246 6.010 ( -1.493 -2.086 0.000) 2.565 6.026 ( 1.651 -0.137 0.000) 1.657 6.144 ( -1.780 5.175 0.000) 5.473 6.260 ( -3.197 -3.077 0.000) 4.437 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 14.383 -2.245 0.000) 14.557 1.317 ( 18.852 2.848 0.000) 19.066 1.483 ( 15.388 -1.839 0.000) 15.497 1.646 ( 7.125 0.632 0.000) 7.153 1.758 ( 2.841 -2.815 0.000) 4.000 1.839 ( 2.788 -0.199 0.000) 2.795 1.906 ( 3.383 1.050 0.000) 3.542 1.933 ( 1.872 -1.590 0.000) 2.456 1.986 ( 11.022 2.155 0.000) 11.231 2.058 ( -0.466 2.535 0.000) 2.578 2.150 ( 10.406 3.287 0.000) 10.913 2.262 ( 9.214 -2.476 0.000) 9.541 2.404 ( 5.041 4.712 0.000) 6.901 2.414 ( 4.595 -0.691 0.000) 4.647 2.692 ( -5.132 0.461 0.000) 5.153 2.696 ( 4.572 -0.585 0.000) 4.609 2.855 ( -1.556 0.846 0.000) 1.771 2.919 ( 3.039 -0.387 0.000) 3.063 2.940 ( -1.921 0.121 0.000) 1.924 3.073 ( 7.342 2.367 0.000) 7.714 3.154 ( 2.052 -1.498 0.000) 2.541 3.236 ( 0.197 0.401 0.000) 0.447 3.897 ( 5.294 2.574 0.000) 5.887 3.971 ( 4.583 0.414 0.000) 4.602 4.066 ( 1.138 -4.334 0.000) 4.481 4.127 ( -3.977 -5.032 0.000) 6.414 4.270 ( -1.030 -1.529 0.000) 1.843 4.312 ( 3.269 -0.646 0.000) 3.332 4.390 ( 2.989 1.051 0.000) 3.169 4.498 ( -2.103 -3.447 0.000) 4.038 4.558 ( 4.824 1.631 0.000) 5.092 4.636 ( 2.023 -1.923 0.000) 2.791 4.739 ( 0.375 1.990 0.000) 2.025 4.762 ( -1.439 -0.781 0.000) 1.638 4.818 ( -2.589 -0.466 0.000) 2.631 4.932 ( 2.457 -0.906 0.000) 2.619 4.985 ( -0.893 1.182 0.000) 1.481 4.997 ( -2.035 0.531 0.000) 2.104 5.325 ( -0.611 2.677 0.000) 2.746 5.481 ( 3.125 0.351 0.000) 3.145 5.596 ( -2.720 2.409 0.000) 3.633 5.732 ( -2.052 3.487 0.000) 4.045 5.930 ( -0.513 2.006 0.000) 2.070 5.931 ( 0.004 2.841 0.000) 2.841 6.000 ( -0.807 -1.812 0.000) 1.983 6.016 ( -1.289 -1.021 0.000) 1.644 6.120 ( 0.751 2.689 0.000) 2.792 6.214 ( -2.814 -1.021 0.000) 2.994 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 11.938 -1.290 0.000) 12.008 1.603 ( 12.360 3.495 0.000) 12.845 1.682 ( 4.134 2.892 0.000) 5.045 1.773 ( 7.518 -0.815 0.000) 7.562 1.786 ( 0.256 -0.719 0.000) 0.764 1.885 ( -1.472 -3.764 0.000) 4.041 1.985 ( 4.060 0.173 0.000) 4.064 2.018 ( 7.072 1.000 0.000) 7.142 2.095 ( 7.472 1.921 0.000) 7.714 2.097 ( 5.006 3.326 0.000) 6.010 2.224 ( 0.036 9.096 0.000) 9.096 2.421 ( -0.401 -2.891 0.000) 2.919 2.437 ( 2.745 3.018 0.000) 4.079 2.471 ( 9.274 0.511 0.000) 9.288 2.503 ( -11.381 -2.400 0.000) 11.631 2.830 ( -2.828 -1.320 0.000) 3.121 2.896 ( 10.238 -3.875 0.000) 10.947 2.939 ( 0.945 -0.207 0.000) 0.968 2.982 ( 2.862 1.221 0.000) 3.112 3.109 ( -1.003 0.835 0.000) 1.305 3.222 ( -0.987 2.171 0.000) 2.385 3.271 ( 7.309 3.049 0.000) 7.920 3.947 ( -0.265 -3.205 0.000) 3.216 3.997 ( -1.836 -2.495 0.000) 3.098 4.084 ( 0.710 -4.608 0.000) 4.663 4.227 ( 8.061 -3.766 0.000) 8.898 4.247 ( -1.646 -1.403 0.000) 2.163 4.377 ( 2.947 -1.200 0.000) 3.182 4.453 ( 4.030 -0.488 0.000) 4.060 4.482 ( -0.473 -1.686 0.000) 1.751 4.530 ( -2.723 2.572 0.000) 3.746 4.685 ( 2.070 2.339 0.000) 3.123 4.714 ( -0.390 -0.204 0.000) 0.440 4.735 ( -0.434 0.765 0.000) 0.879 4.862 ( 2.624 -1.814 0.000) 3.190 4.966 ( -0.714 -0.065 0.000) 0.717 4.976 ( -0.463 0.195 0.000) 0.503 4.998 ( 3.301 -2.089 0.000) 3.906 5.312 ( 0.210 4.502 0.000) 4.506 5.513 ( -4.433 2.970 0.000) 5.336 5.547 ( 4.185 1.715 0.000) 4.523 5.684 ( -0.517 2.059 0.000) 2.122 5.882 ( -2.537 1.927 0.000) 3.186 5.903 ( -1.064 1.603 0.000) 1.924 5.988 ( -1.317 -0.298 0.000) 1.351 6.002 ( -1.374 0.285 0.000) 1.403 6.107 ( -1.050 1.490 0.000) 1.823 6.162 ( -2.874 0.541 0.000) 2.925 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 8.874 -0.298 0.000) 8.879 1.694 ( 0.068 2.523 0.000) 2.524 1.716 ( 1.225 0.072 0.000) 1.227 1.829 ( 4.306 3.586 0.000) 5.603 1.832 ( -2.970 -1.499 0.000) 3.327 1.901 ( 4.291 -0.400 0.000) 4.310 2.022 ( 1.045 5.512 0.000) 5.611 2.112 ( 0.450 2.408 0.000) 2.449 2.120 ( -0.218 3.089 0.000) 3.096 2.205 ( 3.485 0.437 0.000) 3.513 2.284 ( 10.587 0.183 0.000) 10.589 2.385 ( -2.894 -1.474 0.000) 3.248 2.393 ( 0.900 -4.820 0.000) 4.903 2.470 ( 1.817 3.986 0.000) 4.381 2.669 ( 8.990 -1.923 0.000) 9.194 2.748 ( -6.518 -1.651 0.000) 6.724 2.965 ( 1.444 -0.338 0.000) 1.483 3.002 ( 1.939 2.960 0.000) 3.539 3.061 ( 4.416 -2.273 0.000) 4.966 3.073 ( -1.891 0.910 0.000) 2.099 3.181 ( -1.537 2.482 0.000) 2.919 3.321 ( -0.688 2.659 0.000) 2.747 3.902 ( -6.678 -5.441 0.000) 8.614 3.926 ( -5.659 -4.447 0.000) 7.197 4.201 ( 5.363 -0.859 0.000) 5.431 4.238 ( 0.126 -0.929 0.000) 0.937 4.396 ( 8.888 -5.631 0.000) 10.522 4.443 ( 3.344 -0.779 0.000) 3.433 4.489 ( 0.211 2.521 0.000) 2.530 4.501 ( 1.783 0.793 0.000) 1.951 4.565 ( 7.067 -0.600 0.000) 7.093 4.682 ( -0.429 3.398 0.000) 3.425 4.739 ( 2.372 -1.400 0.000) 2.754 4.761 ( 2.596 -0.222 0.000) 2.606 4.900 ( 0.196 -1.824 0.000) 1.835 4.945 ( -0.883 1.276 0.000) 1.552 4.973 ( 0.079 -0.213 0.000) 0.227 5.069 ( 2.723 -2.104 0.000) 3.441 5.247 ( -4.670 4.481 0.000) 6.472 5.393 ( -6.246 2.708 0.000) 6.808 5.620 ( 4.464 1.761 0.000) 4.799 5.699 ( 2.304 0.248 0.000) 2.317 5.833 ( -1.731 0.569 0.000) 1.822 5.876 ( -0.875 1.055 0.000) 1.371 5.954 ( -2.018 0.420 0.000) 2.061 5.956 ( -2.744 0.961 0.000) 2.908 6.065 ( -2.441 1.039 0.000) 2.653 6.097 ( -3.331 1.274 0.000) 3.566 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 1.482 1.016 0.000) 1.797 1.694 ( 1.558 0.309 0.000) 1.588 1.718 ( -0.348 -0.358 0.000) 0.500 1.802 ( -0.486 -0.944 0.000) 1.061 1.841 ( 0.058 3.754 0.000) 3.754 1.965 ( 1.999 0.225 0.000) 2.012 2.013 ( 1.030 1.844 0.000) 2.112 2.045 ( -3.475 0.263 0.000) 3.485 2.146 ( 1.697 -0.833 0.000) 1.891 2.249 ( 0.475 0.041 0.000) 0.477 2.362 ( 0.352 -1.648 0.000) 1.685 2.446 ( -1.514 3.420 0.000) 3.740 2.458 ( 8.402 0.506 0.000) 8.418 2.524 ( 5.598 -2.066 0.000) 5.968 2.612 ( -8.056 -1.030 0.000) 8.121 2.808 ( 3.608 -2.112 0.000) 4.181 2.995 ( 1.399 -0.388 0.000) 1.452 3.035 ( 2.856 2.159 0.000) 3.580 3.035 ( -1.471 0.579 0.000) 1.581 3.094 ( -0.958 1.405 0.000) 1.701 3.162 ( 0.301 -0.325 0.000) 0.443 3.253 ( -3.221 1.420 0.000) 3.520 3.811 ( -3.881 -2.323 0.000) 4.523 3.853 ( -3.082 -2.158 0.000) 3.762 4.250 ( 0.297 -0.574 0.000) 0.647 4.255 ( 1.055 0.021 0.000) 1.055 4.492 ( 1.223 1.596 0.000) 2.011 4.508 ( 1.915 -0.747 0.000) 2.055 4.512 ( 0.655 0.063 0.000) 0.658 4.614 ( 7.268 -2.968 0.000) 7.851 4.647 ( -1.144 1.539 0.000) 1.917 4.716 ( 5.380 -0.418 0.000) 5.396 4.779 ( 0.587 -0.382 0.000) 0.700 4.813 ( 4.517 -0.051 0.000) 4.518 4.886 ( -2.882 -1.581 0.000) 3.287 4.952 ( 2.448 -0.173 0.000) 2.454 4.976 ( 0.050 -0.249 0.000) 0.254 5.092 ( -8.272 3.680 0.000) 9.054 5.129 ( 2.523 -1.119 0.000) 2.760 5.264 ( -4.981 1.600 0.000) 5.232 5.686 ( 2.482 0.585 0.000) 2.550 5.743 ( 1.646 -0.153 0.000) 1.653 5.811 ( -0.412 -0.015 0.000) 0.413 5.860 ( -0.333 0.377 0.000) 0.503 5.902 ( -1.835 0.737 0.000) 1.977 5.919 ( -1.006 0.278 0.000) 1.044 6.019 ( -1.270 0.435 0.000) 1.342 6.034 ( -2.135 0.665 0.000) 2.236 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 17.501 -0.000 0.000) 17.501 0.937 ( 23.100 -0.000 0.000) 23.100 1.120 ( 18.122 -0.000 0.000) 18.122 1.469 ( 11.563 -0.000 0.000) 11.563 1.507 ( 32.801 -0.000 0.000) 32.801 1.660 ( 3.533 -0.000 0.000) 3.533 1.827 ( 0.613 -0.000 0.000) 0.613 1.907 ( -0.362 0.000 0.000) 0.362 1.908 ( 0.608 -0.000 0.000) 0.608 1.968 ( 10.162 -0.000 0.000) 10.162 2.082 ( 9.191 -0.000 0.000) 9.191 2.092 ( -0.890 0.000 0.000) 0.890 2.273 ( 8.208 -0.000 0.000) 8.208 2.279 ( 10.767 -0.000 0.000) 10.767 2.683 ( 7.201 -0.000 0.000) 7.201 2.766 ( -8.299 0.000 0.000) 8.299 2.884 ( 0.166 -0.000 0.000) 0.166 2.885 ( -0.758 0.000 0.000) 0.758 2.945 ( 3.738 -0.000 0.000) 3.738 3.083 ( -9.670 0.000 0.000) 9.670 3.111 ( 1.184 -0.000 0.000) 1.184 3.225 ( 0.400 -0.000 0.000) 0.400 3.779 ( 7.357 -0.000 0.000) 7.357 3.857 ( 7.440 -0.000 0.000) 7.440 4.105 ( -0.454 0.000 0.000) 0.454 4.140 ( -5.609 0.000 0.000) 5.609 4.196 ( 10.328 -0.000 0.000) 10.328 4.283 ( -1.157 0.000 0.000) 1.157 4.347 ( 12.444 -0.000 0.000) 12.444 4.374 ( 1.440 -0.000 0.000) 1.440 4.498 ( -2.802 0.000 0.000) 2.802 4.574 ( 3.658 -0.000 0.000) 3.658 4.752 ( -1.446 0.000 0.000) 1.446 4.787 ( -1.417 0.000 0.000) 1.417 4.889 ( 1.479 -0.000 0.000) 1.479 4.957 ( -7.981 0.000 0.000) 7.981 5.012 ( -1.056 0.000 0.000) 1.056 5.075 ( -3.927 0.000 0.000) 3.927 5.378 ( -3.375 0.000 0.000) 3.375 5.434 ( 1.289 -0.000 0.000) 1.289 5.658 ( -1.885 0.000 0.000) 1.885 5.768 ( 3.264 -0.000 0.000) 3.264 5.918 ( 0.499 -0.000 0.000) 0.499 5.949 ( 0.797 -0.000 0.000) 0.797 5.997 ( -1.724 0.000 0.000) 1.724 6.025 ( 1.590 -0.000 0.000) 1.590 6.190 ( -3.724 0.000 0.000) 3.724 6.227 ( -1.499 0.000 0.000) 1.499 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 15.070 -0.789 0.000) 15.091 1.342 ( 19.179 1.304 0.000) 19.223 1.468 ( 17.015 -0.741 0.000) 17.031 1.651 ( 7.381 0.276 0.000) 7.386 1.733 ( 3.387 -1.278 0.000) 3.620 1.837 ( 0.691 -0.074 0.000) 0.695 1.916 ( 1.564 0.556 0.000) 1.660 1.919 ( 2.046 -0.733 0.000) 2.174 1.999 ( 16.064 0.355 0.000) 16.068 2.079 ( 0.118 0.975 0.000) 0.982 2.179 ( 11.397 1.567 0.000) 11.504 2.240 ( 7.436 -1.246 0.000) 7.540 2.410 ( 2.255 -0.189 0.000) 2.263 2.441 ( 7.737 1.698 0.000) 7.921 2.694 ( 3.026 0.045 0.000) 3.026 2.696 ( -7.451 0.253 0.000) 7.455 2.862 ( -1.636 0.329 0.000) 1.669 2.917 ( 3.227 -0.070 0.000) 3.228 2.941 ( -2.496 0.017 0.000) 2.496 3.100 ( 9.417 2.256 0.000) 9.684 3.134 ( 2.223 -1.889 0.000) 2.917 3.239 ( 0.822 0.098 0.000) 0.828 3.923 ( 6.219 1.889 0.000) 6.499 3.977 ( 5.368 -0.153 0.000) 5.370 4.024 ( -5.176 -2.239 0.000) 5.640 4.087 ( -1.603 -1.813 0.000) 2.420 4.256 ( -1.557 -0.721 0.000) 1.716 4.309 ( 3.667 -0.115 0.000) 3.669 4.406 ( 2.411 1.452 0.000) 2.814 4.461 ( -1.838 -2.567 0.000) 3.157 4.578 ( 7.027 1.717 0.000) 7.233 4.611 ( 1.109 -2.015 0.000) 2.301 4.757 ( -1.200 -0.167 0.000) 1.211 4.760 ( 2.170 1.243 0.000) 2.501 4.812 ( -5.425 -0.523 0.000) 5.450 4.925 ( 2.295 -0.322 0.000) 2.317 4.994 ( -0.661 0.449 0.000) 0.799 5.000 ( -3.442 0.170 0.000) 3.446 5.344 ( 0.149 0.858 0.000) 0.871 5.483 ( 3.631 0.075 0.000) 3.632 5.614 ( -2.666 0.847 0.000) 2.797 5.758 ( -2.608 1.138 0.000) 2.846 5.953 ( -0.822 2.031 0.000) 2.191 5.962 ( 2.046 2.223 0.000) 3.021 5.979 ( 0.059 -1.938 0.000) 1.939 6.002 ( -2.711 -1.314 0.000) 3.013 6.152 ( 0.125 2.807 0.000) 2.810 6.195 ( -2.432 -2.165 0.000) 3.256 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 12.402 -0.749 0.000) 12.424 1.634 ( 11.370 2.012 0.000) 11.546 1.714 ( 4.706 2.794 0.000) 5.473 1.762 ( 8.080 -1.261 0.000) 8.178 1.778 ( 1.607 -0.628 0.000) 1.725 1.848 ( -1.270 -2.652 0.000) 2.940 1.985 ( 5.296 0.084 0.000) 5.297 2.022 ( 8.545 0.094 0.000) 8.546 2.117 ( 5.781 1.649 0.000) 6.012 2.127 ( 1.880 1.918 0.000) 2.686 2.314 ( 3.346 6.382 0.000) 7.206 2.388 ( 2.820 -2.350 0.000) 3.671 2.436 ( 3.531 -1.316 0.000) 3.768 2.484 ( -12.376 -1.123 0.000) 12.426 2.515 ( 4.131 4.531 0.000) 6.132 2.818 ( -3.437 -0.767 0.000) 3.522 2.853 ( 9.317 -3.476 0.000) 9.945 2.937 ( 0.902 -0.109 0.000) 0.908 2.993 ( 4.118 0.699 0.000) 4.177 3.117 ( -1.108 0.469 0.000) 1.203 3.242 ( -0.350 1.290 0.000) 1.337 3.298 ( 7.363 1.643 0.000) 7.545 3.922 ( -2.422 -1.128 0.000) 2.672 3.958 ( -5.722 -3.912 0.000) 6.932 4.058 ( 4.577 -0.576 0.000) 4.613 4.191 ( 8.414 -2.492 0.000) 8.776 4.235 ( -1.044 -0.776 0.000) 1.301 4.366 ( 2.666 -0.630 0.000) 2.739 4.445 ( 1.971 -0.984 0.000) 2.203 4.468 ( 2.221 -0.577 0.000) 2.295 4.556 ( -2.120 2.044 0.000) 2.945 4.678 ( 0.943 -1.732 0.000) 1.972 4.741 ( 0.605 3.200 0.000) 3.257 4.746 ( 0.245 0.939 0.000) 0.971 4.840 ( 2.526 -2.144 0.000) 3.313 4.955 ( -1.224 -1.049 0.000) 1.612 4.981 ( 3.111 -1.010 0.000) 3.271 4.984 ( -0.364 0.655 0.000) 0.749 5.350 ( 0.265 2.274 0.000) 2.289 5.539 ( -4.672 1.533 0.000) 4.917 5.562 ( 4.640 0.956 0.000) 4.738 5.701 ( -1.895 1.015 0.000) 2.150 5.904 ( -3.477 1.846 0.000) 3.936 5.919 ( -1.487 1.146 0.000) 1.878 5.984 ( -0.639 -0.329 0.000) 0.718 6.003 ( -0.700 -0.111 0.000) 0.709 6.123 ( -1.831 1.376 0.000) 2.290 6.163 ( -2.033 -0.307 0.000) 2.056 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 9.452 -0.373 0.000) 9.459 1.715 ( 0.161 -0.174 0.000) 0.237 1.722 ( -0.435 2.341 0.000) 2.381 1.811 ( -2.981 -2.056 0.000) 3.622 1.863 ( 5.766 2.353 0.000) 6.228 1.902 ( 5.291 0.340 0.000) 5.302 2.067 ( 3.497 2.860 0.000) 4.518 2.141 ( -0.651 2.631 0.000) 2.710 2.150 ( 0.103 0.023 0.000) 0.105 2.240 ( -2.784 7.194 0.000) 7.714 2.285 ( 10.970 0.010 0.000) 10.970 2.342 ( 1.024 -3.980 0.000) 4.110 2.379 ( -1.831 0.586 0.000) 1.922 2.509 ( 2.750 2.733 0.000) 3.877 2.623 ( 4.650 -6.234 0.000) 7.777 2.731 ( -6.275 -1.268 0.000) 6.402 2.962 ( 1.411 -0.242 0.000) 1.432 3.005 ( 3.475 -1.999 0.000) 4.009 3.065 ( 5.893 2.629 0.000) 6.453 3.082 ( -1.962 0.689 0.000) 2.080 3.209 ( -2.029 2.125 0.000) 2.938 3.345 ( -1.294 1.650 0.000) 2.097 3.845 ( -5.826 -4.239 0.000) 7.205 3.886 ( -4.578 -2.865 0.000) 5.400 4.200 ( 7.754 0.591 0.000) 7.776 4.231 ( 0.351 -0.438 0.000) 0.562 4.336 ( 6.797 -4.873 0.000) 8.363 4.433 ( 3.774 -0.814 0.000) 3.860 4.510 ( 2.945 0.847 0.000) 3.065 4.518 ( -0.462 2.341 0.000) 2.386 4.553 ( 6.738 -1.395 0.000) 6.881 4.712 ( 0.784 0.834 0.000) 1.144 4.729 ( 1.018 0.793 0.000) 1.291 4.763 ( 1.867 0.481 0.000) 1.928 4.878 ( 0.170 -2.041 0.000) 2.048 4.952 ( -0.168 -0.163 0.000) 0.234 4.973 ( -0.247 0.290 0.000) 0.380 5.050 ( 3.246 -1.303 0.000) 3.498 5.290 ( -5.224 3.160 0.000) 6.105 5.418 ( -6.766 1.711 0.000) 6.979 5.640 ( 4.135 1.743 0.000) 4.487 5.698 ( 1.601 -0.468 0.000) 1.668 5.841 ( -2.240 0.826 0.000) 2.388 5.887 ( -1.241 0.817 0.000) 1.486 5.958 ( -1.902 0.291 0.000) 1.924 5.964 ( -2.656 0.567 0.000) 2.716 6.074 ( -2.732 0.648 0.000) 2.808 6.109 ( -3.332 0.924 0.000) 3.458 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 2.114 1.931 0.000) 2.863 1.696 ( 0.344 0.215 0.000) 0.405 1.714 ( -0.031 -0.353 0.000) 0.355 1.786 ( -0.188 -1.816 0.000) 1.826 1.896 ( -0.883 5.369 0.000) 5.441 1.970 ( 2.018 0.664 0.000) 2.124 2.042 ( -2.496 3.667 0.000) 4.436 2.046 ( -4.239 -0.087 0.000) 4.240 2.141 ( 2.345 -0.009 0.000) 2.345 2.243 ( 0.628 -1.163 0.000) 1.322 2.349 ( -0.243 -0.228 0.000) 0.333 2.462 ( 8.572 0.255 0.000) 8.576 2.489 ( -2.328 3.695 0.000) 4.368 2.503 ( 7.674 -1.564 0.000) 7.831 2.601 ( -7.718 -0.990 0.000) 7.781 2.732 ( 1.446 -10.338 0.000) 10.439 2.991 ( 1.461 -0.307 0.000) 1.493 3.041 ( 0.708 -0.481 0.000) 0.856 3.041 ( -1.758 0.541 0.000) 1.839 3.127 ( -1.802 3.255 0.000) 3.720 3.174 ( 2.383 2.363 0.000) 3.356 3.267 ( -4.385 1.072 0.000) 4.514 3.791 ( -0.923 -1.227 0.000) 1.536 3.833 ( -0.874 -1.437 0.000) 1.681 4.248 ( 1.074 0.102 0.000) 1.079 4.269 ( 1.830 2.286 0.000) 2.929 4.492 ( 0.448 -1.076 0.000) 1.165 4.506 ( 2.328 -1.491 0.000) 2.765 4.513 ( 1.294 1.155 0.000) 1.735 4.584 ( 7.621 -2.011 0.000) 7.881 4.665 ( -2.539 1.567 0.000) 2.984 4.697 ( 6.666 -2.739 0.000) 7.207 4.775 ( -1.511 -0.067 0.000) 1.512 4.812 ( 5.557 -0.046 0.000) 5.557 4.868 ( -2.259 -1.501 0.000) 2.713 4.953 ( 1.316 0.399 0.000) 1.375 4.975 ( 0.199 -0.129 0.000) 0.237 5.118 ( 3.202 -0.799 0.000) 3.300 5.130 ( -8.926 3.057 0.000) 9.435 5.280 ( -6.023 1.168 0.000) 6.135 5.694 ( 1.786 0.772 0.000) 1.946 5.739 ( 1.688 -0.455 0.000) 1.748 5.812 ( -0.494 0.185 0.000) 0.528 5.864 ( -0.743 0.340 0.000) 0.817 5.912 ( -2.141 0.830 0.000) 2.296 5.922 ( -1.263 0.237 0.000) 1.285 6.023 ( -1.771 0.249 0.000) 1.789 6.040 ( -2.922 0.407 0.000) 2.951 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -1.986 0.018 0.000) 1.986 1.688 ( -2.545 -0.636 0.000) 2.623 1.722 ( 0.751 0.182 0.000) 0.773 1.808 ( 1.487 0.296 0.000) 1.516 1.821 ( -3.418 0.274 0.000) 3.429 1.966 ( -1.783 0.457 0.000) 1.840 1.995 ( -3.025 -1.640 0.000) 3.441 2.040 ( 2.803 -0.737 0.000) 2.899 2.160 ( -1.060 1.817 0.000) 2.104 2.244 ( -0.335 -0.806 0.000) 0.873 2.366 ( 0.230 -1.549 0.000) 1.566 2.433 ( -0.441 1.510 0.000) 1.573 2.452 ( -8.199 -0.525 0.000) 8.216 2.547 ( -3.341 2.030 0.000) 3.909 2.623 ( 8.390 0.759 0.000) 8.425 2.770 ( -3.649 -8.005 0.000) 8.797 3.000 ( -1.309 0.435 0.000) 1.379 3.019 ( -3.614 -0.005 0.000) 3.614 3.029 ( 1.179 -0.541 0.000) 1.297 3.079 ( -0.846 -1.996 0.000) 2.168 3.184 ( 0.065 2.990 0.000) 2.991 3.236 ( 1.693 -1.443 0.000) 2.224 3.840 ( 6.131 2.545 0.000) 6.638 3.880 ( 5.618 2.723 0.000) 6.243 4.261 ( 0.535 1.393 0.000) 1.492 4.270 ( -0.311 2.609 0.000) 2.627 4.469 ( -3.072 -2.338 0.000) 3.861 4.508 ( -0.966 -0.529 0.000) 1.101 4.516 ( -1.114 0.523 0.000) 1.231 4.632 ( -0.420 -1.077 0.000) 1.156 4.644 ( -5.132 2.205 0.000) 5.586 4.712 ( -3.295 -0.712 0.000) 3.371 4.774 ( -1.918 -1.636 0.000) 2.521 4.813 ( -3.470 0.043 0.000) 3.471 4.902 ( 3.314 1.340 0.000) 3.575 4.956 ( -2.824 0.495 0.000) 2.867 4.982 ( -1.396 0.901 0.000) 1.661 5.053 ( 7.056 -3.149 0.000) 7.727 5.143 ( -1.589 1.378 0.000) 2.103 5.245 ( 3.601 -1.863 0.000) 4.055 5.681 ( -3.053 -0.319 0.000) 3.069 5.742 ( -1.790 -0.164 0.000) 1.798 5.813 ( 0.491 0.255 0.000) 0.553 5.856 ( -0.083 -0.324 0.000) 0.334 5.896 ( 1.162 -0.349 0.000) 1.213 5.916 ( 0.725 -0.253 0.000) 0.768 6.013 ( 0.553 -0.710 0.000) 0.900 6.026 ( 1.634 -0.688 0.000) 1.773 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -8.228 0.070 0.000) 8.228 1.666 ( -0.737 -2.469 0.000) 2.577 1.711 ( -3.978 -1.073 0.000) 4.120 1.789 ( -1.024 -3.396 0.000) 3.547 1.841 ( 1.142 0.105 0.000) 1.146 1.915 ( -1.668 2.134 0.000) 2.708 1.953 ( -2.210 -6.035 0.000) 6.426 2.088 ( -1.301 -2.003 0.000) 2.389 2.105 ( -2.990 -0.107 0.000) 2.992 2.204 ( -4.122 0.312 0.000) 4.134 2.282 ( -10.146 -0.158 0.000) 10.147 2.395 ( 1.696 -1.688 0.000) 2.393 2.437 ( 0.238 -0.008 0.000) 0.238 2.448 ( -0.628 4.910 0.000) 4.950 2.667 ( -9.359 -2.140 0.000) 9.600 2.766 ( 6.869 1.556 0.000) 7.043 2.969 ( -1.588 -2.200 0.000) 2.713 2.969 ( -1.479 0.377 0.000) 1.527 3.062 ( 1.759 -0.891 0.000) 1.971 3.078 ( -2.104 -0.343 0.000) 2.132 3.164 ( -0.151 -0.012 0.000) 0.151 3.287 ( -0.095 -3.344 0.000) 3.345 3.953 ( 6.108 3.730 0.000) 7.157 3.989 ( 7.469 6.192 0.000) 9.702 4.221 ( -3.572 2.832 0.000) 4.558 4.252 ( -0.091 1.538 0.000) 1.540 4.438 ( -0.834 -2.003 0.000) 2.170 4.456 ( -10.413 4.373 0.000) 11.294 4.474 ( -2.422 0.318 0.000) 2.442 4.493 ( -0.739 -0.323 0.000) 0.807 4.568 ( -6.995 0.156 0.000) 6.997 4.643 ( -0.348 -3.403 0.000) 3.421 4.754 ( -2.020 1.188 0.000) 2.343 4.767 ( -2.224 0.668 0.000) 2.322 4.918 ( -0.530 1.286 0.000) 1.391 4.926 ( 0.179 -2.090 0.000) 2.098 4.974 ( -0.067 -0.232 0.000) 0.242 5.096 ( -1.951 2.732 0.000) 3.357 5.195 ( 4.037 -4.560 0.000) 6.090 5.359 ( 5.511 -3.425 0.000) 6.489 5.602 ( -4.985 -1.434 0.000) 5.187 5.693 ( -3.057 -0.879 0.000) 3.180 5.829 ( 1.383 -0.009 0.000) 1.383 5.864 ( 0.525 -0.998 0.000) 1.127 5.944 ( 2.730 -1.179 0.000) 2.974 5.949 ( 2.130 -0.461 0.000) 2.179 6.051 ( 2.236 -1.310 0.000) 2.592 6.082 ( 3.196 -1.273 0.000) 3.440 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -11.109 1.539 0.000) 11.215 1.560 ( -12.680 -3.794 0.000) 13.236 1.651 ( -3.430 -2.694 0.000) 4.362 1.779 ( -6.650 0.233 0.000) 6.654 1.792 ( 0.459 0.346 0.000) 0.575 1.928 ( 1.441 3.909 0.000) 4.166 1.965 ( -2.049 -4.536 0.000) 4.978 1.996 ( -5.566 -2.840 0.000) 6.248 2.053 ( -6.357 -4.725 0.000) 7.921 2.082 ( -9.636 -0.434 0.000) 9.646 2.142 ( 0.114 -3.412 0.000) 3.413 2.367 ( -7.377 -6.767 0.000) 10.010 2.464 ( 1.692 2.286 0.000) 2.844 2.491 ( -6.555 3.594 0.000) 7.476 2.538 ( 10.471 3.723 0.000) 11.113 2.847 ( 2.045 1.671 0.000) 2.641 2.933 ( -9.537 2.241 0.000) 9.796 2.942 ( -1.005 0.276 0.000) 1.042 2.970 ( -2.538 -0.447 0.000) 2.577 3.099 ( 0.797 -1.028 0.000) 1.300 3.195 ( 1.561 -2.547 0.000) 2.987 3.231 ( -7.110 -4.102 0.000) 8.208 3.990 ( -2.047 4.318 0.000) 4.778 4.017 ( -2.402 1.616 0.000) 2.895 4.153 ( 2.829 6.733 0.000) 7.303 4.265 ( 2.357 1.822 0.000) 2.979 4.269 ( -7.660 3.497 0.000) 8.420 4.393 ( -3.426 1.591 0.000) 3.777 4.461 ( -4.161 1.133 0.000) 4.312 4.498 ( 1.572 0.959 0.000) 1.841 4.501 ( 3.691 -2.563 0.000) 4.493 4.642 ( -2.236 -4.356 0.000) 4.896 4.729 ( 0.264 1.503 0.000) 1.526 4.733 ( 0.955 0.521 0.000) 1.088 4.879 ( -2.765 1.130 0.000) 2.988 4.950 ( 0.411 -2.084 0.000) 2.124 4.982 ( 0.771 0.402 0.000) 0.869 5.027 ( -3.588 3.024 0.000) 4.692 5.252 ( -0.582 -5.966 0.000) 5.995 5.473 ( 4.128 -4.069 0.000) 5.796 5.525 ( -3.889 -2.073 0.000) 4.407 5.657 ( -1.076 -2.469 0.000) 2.693 5.865 ( 1.891 -1.082 0.000) 2.178 5.885 ( 0.830 -1.505 0.000) 1.719 5.991 ( 1.946 0.149 0.000) 1.952 5.997 ( 1.966 -0.666 0.000) 2.076 6.091 ( 0.856 -1.294 0.000) 1.552 6.151 ( 3.128 -1.370 0.000) 3.415 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -13.136 3.364 0.000) 13.560 1.287 ( -17.308 -2.021 0.000) 17.426 1.506 ( -12.335 2.088 0.000) 12.511 1.638 ( -7.485 -0.761 0.000) 7.524 1.785 ( -2.116 1.406 0.000) 2.541 1.842 ( -4.684 0.265 0.000) 4.691 1.892 ( -6.399 -1.790 0.000) 6.645 1.946 ( -3.579 0.053 0.000) 3.579 1.950 ( -6.362 -4.044 0.000) 7.538 2.029 ( 2.151 -2.018 0.000) 2.949 2.116 ( -8.510 -2.161 0.000) 8.780 2.273 ( -5.623 -2.809 0.000) 6.286 2.357 ( -5.379 -1.592 0.000) 5.610 2.426 ( -8.100 1.406 0.000) 8.222 2.689 ( 0.393 0.097 0.000) 0.405 2.710 ( -6.408 1.942 0.000) 6.696 2.845 ( 2.155 -0.953 0.000) 2.356 2.926 ( -2.606 0.670 0.000) 2.690 2.938 ( 0.938 -0.292 0.000) 0.982 3.050 ( -5.256 -1.770 0.000) 5.546 3.167 ( -0.217 0.676 0.000) 0.710 3.229 ( 0.843 -0.830 0.000) 1.183 3.867 ( -6.738 -2.538 0.000) 7.200 3.978 ( -3.979 1.758 0.000) 4.350 4.112 ( -3.890 3.870 0.000) 5.487 4.188 ( 3.127 5.089 0.000) 5.973 4.285 ( -1.437 0.998 0.000) 1.749 4.326 ( -1.438 1.712 0.000) 2.236 4.387 ( -3.187 0.760 0.000) 3.277 4.529 ( 1.847 1.864 0.000) 2.625 4.543 ( -3.791 -1.213 0.000) 3.980 4.645 ( 1.661 -0.649 0.000) 1.783 4.726 ( -1.838 0.047 0.000) 1.839 4.776 ( 2.039 1.809 0.000) 2.726 4.821 ( 0.286 -0.064 0.000) 0.293 4.945 ( -2.980 1.341 0.000) 3.268 4.969 ( 1.051 -1.605 0.000) 1.918 4.989 ( 0.087 -0.717 0.000) 0.722 5.284 ( 2.107 -4.700 0.000) 5.151 5.474 ( -2.398 -0.952 0.000) 2.580 5.562 ( 2.975 -3.523 0.000) 4.611 5.685 ( 1.367 -4.575 0.000) 4.775 5.904 ( 0.844 -1.983 0.000) 2.155 5.909 ( 0.655 -1.659 0.000) 1.784 6.019 ( 1.567 1.513 0.000) 2.178 6.024 ( 1.199 0.537 0.000) 1.314 6.095 ( -1.225 -1.725 0.000) 2.116 6.216 ( 3.156 -0.643 0.000) 3.221 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -14.616 5.872 0.000) 15.751 0.932 ( -19.499 2.279 0.000) 19.632 1.215 ( -14.011 7.455 0.000) 15.870 1.479 ( -9.769 0.361 0.000) 9.776 1.641 ( -22.932 7.705 0.000) 24.192 1.685 ( -5.794 0.481 0.000) 5.814 1.787 ( -1.797 -2.474 0.000) 3.058 1.866 ( -5.543 -1.963 0.000) 5.880 1.905 ( -1.472 -1.329 0.000) 1.983 1.938 ( -7.799 -2.299 0.000) 8.131 2.065 ( 0.083 -1.816 0.000) 1.818 2.083 ( -9.902 0.289 0.000) 9.907 2.172 ( -13.841 -3.117 0.000) 14.188 2.343 ( -1.486 0.254 0.000) 1.508 2.553 ( -11.072 -8.640 0.000) 14.044 2.717 ( 4.200 -3.392 0.000) 5.399 2.891 ( -0.359 0.601 0.000) 0.700 2.904 ( 1.092 0.567 0.000) 1.230 2.963 ( -1.102 1.125 0.000) 1.575 3.058 ( 5.767 -1.201 0.000) 5.891 3.169 ( 2.684 3.758 0.000) 4.618 3.241 ( 0.742 1.186 0.000) 1.399 3.759 ( -6.576 -2.868 0.000) 7.174 3.834 ( -8.077 0.392 0.000) 8.086 4.102 ( 1.291 0.825 0.000) 1.532 4.178 ( -10.357 -1.177 0.000) 10.424 4.220 ( 2.552 2.011 0.000) 3.249 4.284 ( -4.646 -0.306 0.000) 4.656 4.327 ( -2.898 -0.202 0.000) 2.905 4.404 ( -6.652 4.527 0.000) 8.047 4.537 ( -0.145 0.510 0.000) 0.531 4.580 ( -3.997 0.528 0.000) 4.031 4.740 ( -5.191 -2.527 0.000) 5.773 4.750 ( 2.599 -0.115 0.000) 2.601 4.881 ( -0.251 -0.875 0.000) 0.910 4.942 ( 5.812 -1.015 0.000) 5.900 4.996 ( 0.388 -1.355 0.000) 1.409 5.042 ( 4.690 -1.853 0.000) 5.042 5.394 ( 7.517 0.589 0.000) 7.540 5.446 ( -0.785 0.410 0.000) 0.886 5.629 ( 2.452 -2.221 0.000) 3.308 5.726 ( -0.130 -2.990 0.000) 2.993 5.913 ( 0.086 -0.466 0.000) 0.474 5.926 ( 0.303 -1.186 0.000) 1.224 6.028 ( -1.836 0.264 0.000) 1.854 6.038 ( 1.681 2.649 0.000) 3.137 6.092 ( 0.475 -3.825 0.000) 3.855 6.283 ( 3.987 0.975 0.000) 4.105 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -14.273 10.327 0.000) 17.617 0.537 ( -16.965 10.819 0.000) 20.121 0.922 ( -9.999 12.054 0.000) 15.661 1.015 ( -31.316 19.883 0.000) 37.095 1.258 ( -11.165 3.325 0.000) 11.649 1.577 ( -6.678 0.845 0.000) 6.731 1.732 ( -5.247 -7.527 0.000) 9.176 1.790 ( -0.064 -2.966 0.000) 2.966 1.869 ( -7.728 -6.665 0.000) 10.205 1.897 ( -0.544 -2.423 0.000) 2.484 1.909 ( -4.795 1.736 0.000) 5.100 2.017 ( -4.032 -3.381 0.000) 5.262 2.063 ( -1.489 -5.065 0.000) 5.279 2.283 ( -1.790 8.664 0.000) 8.847 2.458 ( -4.068 -9.892 0.000) 10.696 2.855 ( 5.457 -7.409 0.000) 9.202 2.898 ( 1.212 -0.896 0.000) 1.507 2.911 ( -0.007 0.075 0.000) 0.075 2.939 ( 0.237 3.392 0.000) 3.400 3.097 ( -0.393 0.484 0.000) 0.624 3.256 ( 2.328 2.917 0.000) 3.732 3.267 ( 6.507 2.125 0.000) 6.845 3.653 ( -5.051 -1.118 0.000) 5.173 3.692 ( -7.281 -1.088 0.000) 7.361 3.889 ( -16.448 0.071 0.000) 16.449 4.070 ( -7.404 -3.672 0.000) 8.264 4.195 ( -3.817 -1.162 0.000) 3.990 4.269 ( 3.446 4.205 0.000) 5.437 4.286 ( -2.108 -6.057 0.000) 6.413 4.312 ( -2.262 1.775 0.000) 2.875 4.523 ( -3.139 -4.895 0.000) 5.815 4.531 ( -0.884 2.543 0.000) 2.693 4.640 ( -8.255 -7.596 0.000) 11.218 4.790 ( 1.604 0.543 0.000) 1.693 4.867 ( -0.705 -0.130 0.000) 0.717 5.010 ( 0.093 -1.882 0.000) 1.884 5.067 ( 4.709 -1.961 0.000) 5.101 5.142 ( 4.267 -0.841 0.000) 4.350 5.430 ( -0.917 0.698 0.000) 1.153 5.539 ( 8.487 4.165 0.000) 9.453 5.680 ( 1.718 -1.219 0.000) 2.107 5.723 ( 2.495 5.075 0.000) 5.656 5.932 ( 1.245 -0.658 0.000) 1.409 5.936 ( 0.191 -0.569 0.000) 0.600 5.971 ( -3.090 0.071 0.000) 3.091 6.051 ( 1.152 2.826 0.000) 3.052 6.119 ( -2.120 -6.398 0.000) 6.740 6.361 ( 5.508 2.910 0.000) 6.230 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( -0.000 18.624 0.000) 18.624 0.292 ( -0.000 25.755 0.000) 25.755 0.381 ( -0.000 33.651 0.000) 33.651 0.745 ( -0.000 12.118 0.000) 12.118 1.109 ( -0.000 3.255 0.000) 3.255 1.481 ( -0.000 0.444 0.000) 0.444 1.731 ( 0.000 -2.148 0.000) 2.148 1.801 ( 0.000 -1.451 0.000) 1.451 1.820 ( 0.000 -13.771 0.000) 13.771 1.879 ( -0.000 0.254 0.000) 0.254 1.907 ( 0.000 -2.014 0.000) 2.014 1.999 ( 0.000 -0.755 0.000) 0.755 2.082 ( 0.000 -5.695 0.000) 5.695 2.204 ( -0.000 11.458 0.000) 11.458 2.479 ( 0.000 -8.437 0.000) 8.437 2.894 ( -0.000 0.732 0.000) 0.732 2.908 ( -0.000 0.218 0.000) 0.218 2.925 ( -0.000 3.662 0.000) 3.662 2.995 ( 0.000 -9.967 0.000) 9.967 3.086 ( -0.000 0.924 0.000) 0.924 3.326 ( -0.000 1.031 0.000) 1.031 3.368 ( -0.000 3.689 0.000) 3.689 3.464 ( -0.000 0.564 0.000) 0.564 3.612 ( 0.000 -0.291 0.000) 0.291 3.703 ( -0.000 0.533 0.000) 0.533 3.811 ( 0.000 -0.333 0.000) 0.333 4.163 ( 0.000 -0.910 0.000) 0.910 4.266 ( -0.000 0.143 0.000) 0.143 4.286 ( -0.000 0.036 0.000) 0.036 4.351 ( 0.000 -1.738 0.000) 1.738 4.396 ( 0.000 -1.054 0.000) 1.054 4.506 ( -0.000 3.154 0.000) 3.154 4.579 ( 0.000 -0.806 0.000) 0.806 4.803 ( -0.000 0.324 0.000) 0.324 4.860 ( 0.000 -0.053 0.000) 0.053 5.019 ( 0.000 -1.573 0.000) 1.573 5.123 ( 0.000 -1.412 0.000) 1.412 5.191 ( 0.000 -0.631 0.000) 0.631 5.407 ( -0.000 1.010 0.000) 1.010 5.604 ( -0.000 1.833 0.000) 1.833 5.703 ( 0.000 -0.801 0.000) 0.801 5.909 ( -0.000 0.375 0.000) 0.375 5.937 ( -0.000 0.346 0.000) 0.346 5.940 ( 0.000 -0.315 0.000) 0.315 5.949 ( 0.000 -1.050 0.000) 1.050 6.009 ( 0.000 -0.765 0.000) 0.765 6.048 ( -0.000 2.203 0.000) 2.203 6.455 ( 0.000 -0.554 0.000) 0.554 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 12.544 -0.000 0.000) 12.544 1.646 ( 10.814 -0.000 0.000) 10.814 1.739 ( 1.854 -0.000 0.000) 1.854 1.746 ( 11.360 -0.000 0.000) 11.360 1.774 ( 2.324 -0.000 0.000) 2.324 1.831 ( -1.168 0.000 0.000) 1.168 1.986 ( 5.727 -0.000 0.000) 5.727 2.023 ( 8.927 -0.000 0.000) 8.927 2.127 ( 5.386 -0.000 0.000) 5.386 2.138 ( 0.205 -0.000 0.000) 0.205 2.359 ( 3.937 -0.000 0.000) 3.937 2.367 ( 6.815 -0.000 0.000) 6.815 2.427 ( 2.423 -0.000 0.000) 2.423 2.478 ( -12.817 0.000 0.000) 12.817 2.544 ( 1.979 -0.000 0.000) 1.979 2.814 ( -3.661 0.000 0.000) 3.661 2.830 ( 8.893 -0.000 0.000) 8.893 2.937 ( 0.885 -0.000 0.000) 0.885 2.997 ( 4.599 -0.000 0.000) 4.599 3.119 ( -1.141 0.000 0.000) 1.141 3.249 ( -0.074 0.000 0.000) 0.074 3.307 ( 7.360 -0.000 0.000) 7.360 3.924 ( -5.074 0.000 0.000) 5.074 3.924 ( -3.981 0.000 0.000) 3.981 4.057 ( 4.652 -0.000 0.000) 4.652 4.176 ( 8.571 -0.000 0.000) 8.571 4.230 ( -0.805 0.000 0.000) 0.805 4.363 ( 2.571 -0.000 0.000) 2.571 4.438 ( 1.168 -0.000 0.000) 1.168 4.466 ( 3.290 -0.000 0.000) 3.290 4.569 ( -1.979 0.000 0.000) 1.979 4.666 ( 0.958 -0.000 0.000) 0.958 4.752 ( 0.583 -0.000 0.000) 0.583 4.764 ( 0.420 -0.000 0.000) 0.420 4.823 ( 2.691 -0.000 0.000) 2.691 4.948 ( -1.445 0.000 0.000) 1.445 4.976 ( 3.047 -0.000 0.000) 3.047 4.988 ( -0.398 0.000 0.000) 0.398 5.363 ( 0.328 -0.000 0.000) 0.328 5.547 ( -4.759 0.000 0.000) 4.759 5.568 ( 4.853 -0.000 0.000) 4.853 5.706 ( -2.393 0.000 0.000) 2.393 5.916 ( -4.081 0.000 0.000) 4.081 5.926 ( -1.778 0.000 0.000) 1.778 5.982 ( -0.263 0.000 0.000) 0.263 6.002 ( -0.267 0.000 0.000) 0.267 6.133 ( -2.784 0.000 0.000) 2.784 6.160 ( -1.060 0.000 0.000) 1.060 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 9.791 -0.171 0.000) 9.792 1.713 ( -0.185 -0.088 0.000) 0.205 1.745 ( -0.447 1.496 0.000) 1.561 1.790 ( -2.910 -1.422 0.000) 3.239 1.881 ( 6.125 0.776 0.000) 6.174 1.905 ( 5.646 0.181 0.000) 5.649 2.096 ( 4.722 2.377 0.000) 5.287 2.132 ( 0.974 -2.195 0.000) 2.401 2.166 ( -1.691 1.508 0.000) 2.266 2.282 ( 10.214 -0.508 0.000) 10.226 2.310 ( 2.315 -1.430 0.000) 2.721 2.318 ( -5.669 3.779 0.000) 6.813 2.415 ( -0.739 7.073 0.000) 7.111 2.512 ( 4.270 -5.631 0.000) 7.067 2.551 ( -1.261 -2.822 0.000) 3.091 2.721 ( -6.143 -0.476 0.000) 6.161 2.960 ( 1.388 -0.089 0.000) 1.391 2.986 ( 5.418 -0.894 0.000) 5.491 3.087 ( -1.983 0.257 0.000) 1.999 3.090 ( 6.570 1.303 0.000) 6.698 3.225 ( -2.409 0.777 0.000) 2.531 3.358 ( -1.634 0.553 0.000) 1.725 3.812 ( -4.896 -1.497 0.000) 5.119 3.863 ( -4.076 -1.071 0.000) 4.215 4.210 ( 10.989 0.898 0.000) 11.026 4.228 ( 0.548 -0.119 0.000) 0.561 4.293 ( 3.696 -2.397 0.000) 4.406 4.426 ( 3.820 -0.308 0.000) 3.832 4.521 ( 4.452 1.141 0.000) 4.596 4.536 ( 5.728 -1.491 0.000) 5.918 4.537 ( -0.967 0.982 0.000) 1.378 4.706 ( 3.422 -0.584 0.000) 3.472 4.749 ( -1.701 1.398 0.000) 2.202 4.768 ( 1.060 0.340 0.000) 1.114 4.858 ( 0.490 -1.130 0.000) 1.232 4.948 ( 0.815 -0.308 0.000) 0.871 4.977 ( -0.652 0.214 0.000) 0.686 5.040 ( 3.484 -0.438 0.000) 3.511 5.315 ( -5.492 1.124 0.000) 5.606 5.431 ( -7.026 0.582 0.000) 7.050 5.656 ( 4.343 0.993 0.000) 4.455 5.691 ( 0.844 -0.565 0.000) 1.016 5.848 ( -2.680 0.398 0.000) 2.710 5.893 ( -1.482 0.309 0.000) 1.514 5.960 ( -1.824 0.104 0.000) 1.827 5.968 ( -2.557 0.172 0.000) 2.563 6.079 ( -2.926 0.219 0.000) 2.934 6.116 ( -3.294 0.334 0.000) 3.311 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 5.212 1.300 0.000) 5.371 1.703 ( -2.490 1.486 0.000) 2.899 1.711 ( 0.142 -0.222 0.000) 0.263 1.761 ( -0.567 -2.599 0.000) 2.660 1.943 ( 0.771 2.510 0.000) 2.626 1.978 ( 2.086 0.594 0.000) 2.169 2.044 ( -5.030 -0.193 0.000) 5.034 2.098 ( -7.921 5.217 0.000) 9.484 2.148 ( 3.548 1.793 0.000) 3.975 2.224 ( 0.405 -2.147 0.000) 2.185 2.364 ( -0.812 3.334 0.000) 3.431 2.463 ( 8.854 -0.110 0.000) 8.855 2.491 ( 8.990 -0.648 0.000) 9.013 2.513 ( -3.552 -1.041 0.000) 3.701 2.592 ( -7.478 -0.602 0.000) 7.502 2.608 ( 1.191 -9.414 0.000) 9.489 2.988 ( 1.505 -0.173 0.000) 1.515 3.036 ( 0.685 -0.237 0.000) 0.725 3.047 ( -1.976 0.339 0.000) 2.005 3.147 ( -4.800 0.722 0.000) 4.854 3.206 ( 4.196 2.565 0.000) 4.918 3.276 ( -5.064 0.559 0.000) 5.094 3.783 ( 1.372 -0.356 0.000) 1.417 3.821 ( 0.803 -0.667 0.000) 1.044 4.250 ( 1.720 0.293 0.000) 1.745 4.302 ( 2.317 3.215 0.000) 3.963 4.477 ( 7.224 -3.296 0.000) 7.940 4.480 ( 0.447 -0.837 0.000) 0.948 4.523 ( -0.003 0.649 0.000) 0.649 4.574 ( 4.751 0.117 0.000) 4.753 4.665 ( 5.010 -2.649 0.000) 5.668 4.680 ( -3.630 1.027 0.000) 3.773 4.775 ( -1.114 0.022 0.000) 1.114 4.812 ( 6.321 -0.026 0.000) 6.321 4.854 ( -1.572 -0.971 0.000) 1.847 4.959 ( 0.514 0.684 0.000) 0.855 4.972 ( 0.408 -0.322 0.000) 0.520 5.111 ( 3.627 -0.419 0.000) 3.651 5.157 ( -9.224 1.680 0.000) 9.376 5.290 ( -6.670 0.614 0.000) 6.699 5.702 ( 0.991 0.700 0.000) 1.213 5.733 ( 2.045 -0.526 0.000) 2.111 5.815 ( -0.647 0.181 0.000) 0.672 5.867 ( -1.045 0.203 0.000) 1.064 5.920 ( -2.141 0.546 0.000) 2.210 5.925 ( -1.440 0.136 0.000) 1.446 6.025 ( -2.084 0.112 0.000) 2.087 6.043 ( -3.642 0.160 0.000) 3.646 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.947 0.774 0.000) 3.047 1.679 ( -3.541 -0.955 0.000) 3.667 1.722 ( 0.946 -0.019 0.000) 0.946 1.810 ( 2.856 -0.015 0.000) 2.856 1.844 ( -7.451 3.352 0.000) 8.171 1.974 ( -4.408 -2.090 0.000) 4.878 1.975 ( -1.266 1.057 0.000) 1.649 2.029 ( 2.184 -1.164 0.000) 2.475 2.183 ( -1.075 1.963 0.000) 2.238 2.235 ( 0.927 -0.410 0.000) 1.013 2.348 ( -0.587 -0.603 0.000) 0.842 2.446 ( -7.995 -0.380 0.000) 8.004 2.456 ( -1.221 1.477 0.000) 1.916 2.568 ( -1.373 1.512 0.000) 2.042 2.629 ( 8.629 0.376 0.000) 8.637 2.662 ( -1.533 -9.747 0.000) 9.867 3.005 ( -1.221 0.458 0.000) 1.304 3.023 ( 0.945 -0.509 0.000) 1.074 3.026 ( -2.588 0.759 0.000) 2.697 3.053 ( -3.502 -1.983 0.000) 4.024 3.214 ( -0.805 2.018 0.000) 2.173 3.222 ( 0.177 -1.068 0.000) 1.082 3.864 ( 6.851 1.620 0.000) 7.040 3.911 ( 8.017 2.496 0.000) 8.396 4.280 ( 1.529 1.826 0.000) 2.381 4.311 ( 0.662 4.539 0.000) 4.587 4.442 ( -4.408 -2.400 0.000) 5.019 4.500 ( -1.855 -0.923 0.000) 2.072 4.519 ( -0.646 0.116 0.000) 0.657 4.624 ( -1.822 -0.511 0.000) 1.893 4.659 ( -1.903 0.490 0.000) 1.965 4.708 ( -4.519 0.022 0.000) 4.519 4.742 ( -0.183 -3.579 0.000) 3.584 4.814 ( -2.647 0.028 0.000) 2.648 4.915 ( 3.573 0.886 0.000) 3.681 4.961 ( -1.479 0.304 0.000) 1.510 4.995 ( -4.748 1.181 0.000) 4.893 5.024 ( 5.811 -1.804 0.000) 6.084 5.159 ( -0.298 1.568 0.000) 1.597 5.223 ( 1.897 -1.930 0.000) 2.706 5.678 ( -3.463 -0.108 0.000) 3.464 5.740 ( -1.952 -0.286 0.000) 1.972 5.816 ( 0.674 0.310 0.000) 0.742 5.853 ( -0.412 -0.212 0.000) 0.464 5.895 ( 0.329 0.048 0.000) 0.332 5.914 ( 0.483 -0.175 0.000) 0.514 6.003 ( -0.138 -0.851 0.000) 0.862 6.020 ( 1.412 -0.430 0.000) 1.476 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -7.694 -0.095 0.000) 7.695 1.640 ( -1.359 -2.045 0.000) 2.455 1.691 ( -7.705 -2.211 0.000) 8.016 1.759 ( 1.662 -1.865 0.000) 2.498 1.838 ( -0.665 -0.422 0.000) 0.787 1.897 ( -5.013 -3.920 0.000) 6.364 1.945 ( 0.369 2.844 0.000) 2.867 2.067 ( -1.683 -1.750 0.000) 2.428 2.106 ( -5.183 -0.114 0.000) 5.184 2.219 ( -2.505 2.764 0.000) 3.730 2.281 ( -9.762 -0.088 0.000) 9.763 2.355 ( -0.734 -3.987 0.000) 4.054 2.455 ( 1.304 1.230 0.000) 1.792 2.500 ( -0.091 4.279 0.000) 4.280 2.630 ( -5.636 -3.611 0.000) 6.694 2.782 ( 7.323 1.112 0.000) 7.407 2.957 ( -2.222 0.047 0.000) 2.223 2.973 ( -1.524 0.358 0.000) 1.566 3.053 ( 1.617 -0.700 0.000) 1.762 3.056 ( 0.387 -2.875 0.000) 2.901 3.176 ( -2.357 1.331 0.000) 2.707 3.249 ( -0.982 -3.300 0.000) 3.443 3.989 ( 6.397 2.624 0.000) 6.914 4.051 ( 7.201 4.500 0.000) 8.491 4.265 ( -2.612 4.853 0.000) 5.511 4.272 ( -0.447 2.077 0.000) 2.125 4.409 ( 0.355 -2.888 0.000) 2.910 4.462 ( -4.521 -2.040 0.000) 4.960 4.485 ( -2.606 1.338 0.000) 2.929 4.520 ( -6.963 3.790 0.000) 7.927 4.574 ( -6.027 1.195 0.000) 6.144 4.607 ( -1.287 -2.991 0.000) 3.257 4.765 ( -1.846 0.810 0.000) 2.016 4.769 ( -0.372 -0.653 0.000) 0.751 4.903 ( -1.779 -1.643 0.000) 2.422 4.929 ( -0.968 0.755 0.000) 1.228 4.967 ( -0.553 -0.975 0.000) 1.121 5.129 ( -1.117 3.068 0.000) 3.265 5.150 ( 3.722 -3.337 0.000) 4.998 5.318 ( 4.700 -3.694 0.000) 5.978 5.589 ( -5.493 -0.927 0.000) 5.571 5.681 ( -3.708 -1.032 0.000) 3.849 5.832 ( 1.156 0.350 0.000) 1.208 5.855 ( 0.276 -0.734 0.000) 0.784 5.930 ( 2.589 -1.105 0.000) 2.815 5.944 ( 2.215 -0.397 0.000) 2.250 6.036 ( 2.240 -1.269 0.000) 2.575 6.069 ( 2.937 -0.979 0.000) 3.096 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -9.982 1.503 0.000) 10.094 1.523 ( -11.643 -2.654 0.000) 11.942 1.622 ( -2.669 -2.340 0.000) 3.549 1.778 ( -5.676 -0.374 0.000) 5.688 1.794 ( 0.252 0.066 0.000) 0.260 1.877 ( -0.787 -9.984 0.000) 10.015 1.960 ( -8.071 -2.876 0.000) 8.568 1.970 ( 2.757 3.082 0.000) 4.135 2.001 ( -7.215 -4.070 0.000) 8.284 2.082 ( -10.062 0.314 0.000) 10.067 2.153 ( -0.822 4.020 0.000) 4.103 2.293 ( -8.992 -6.254 0.000) 10.953 2.470 ( -1.514 -0.823 0.000) 1.723 2.543 ( -1.508 4.937 0.000) 5.162 2.585 ( 10.038 4.506 0.000) 11.003 2.868 ( 1.535 2.036 0.000) 2.550 2.935 ( -2.943 -1.018 0.000) 3.114 2.945 ( -1.076 0.292 0.000) 1.115 2.984 ( -7.826 2.329 0.000) 8.166 3.087 ( 0.333 -1.053 0.000) 1.105 3.167 ( 1.787 -2.418 0.000) 3.007 3.181 ( -6.785 -4.708 0.000) 8.259 4.036 ( -7.594 3.099 0.000) 8.202 4.043 ( 1.091 3.891 0.000) 4.041 4.219 ( 1.752 4.674 0.000) 4.991 4.287 ( 2.965 2.007 0.000) 3.580 4.300 ( -7.768 1.707 0.000) 7.953 4.411 ( -4.083 1.447 0.000) 4.332 4.474 ( 4.693 -2.042 0.000) 5.118 4.483 ( -2.790 2.942 0.000) 4.055 4.503 ( 1.783 0.077 0.000) 1.785 4.593 ( -2.493 -4.190 0.000) 4.875 4.743 ( 0.152 0.947 0.000) 0.959 4.747 ( 1.150 1.716 0.000) 2.066 4.888 ( -2.835 0.569 0.000) 2.892 4.922 ( 0.777 -2.970 0.000) 3.070 4.978 ( 1.175 -1.032 0.000) 1.564 5.064 ( -3.954 3.454 0.000) 5.250 5.187 ( -1.698 -5.347 0.000) 5.610 5.425 ( 3.941 -4.480 0.000) 5.967 5.502 ( -3.973 -1.898 0.000) 4.403 5.631 ( -1.992 -2.050 0.000) 2.858 5.857 ( 1.401 -0.432 0.000) 1.466 5.870 ( 0.757 -1.125 0.000) 1.356 5.988 ( 2.570 -0.750 0.000) 2.678 5.992 ( 2.461 0.033 0.000) 2.461 6.078 ( 1.030 -1.005 0.000) 1.439 6.133 ( 2.924 -1.707 0.000) 3.385 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -11.542 3.955 0.000) 12.201 1.280 ( -14.021 0.995 0.000) 14.056 1.526 ( -8.467 1.431 0.000) 8.587 1.630 ( -8.905 -0.501 0.000) 8.919 1.783 ( -2.835 -1.915 0.000) 3.422 1.841 ( -5.099 -0.796 0.000) 5.161 1.856 ( -8.072 -4.483 0.000) 9.233 1.900 ( -3.688 -4.969 0.000) 6.188 1.926 ( -5.536 -2.873 0.000) 6.237 2.024 ( 2.616 0.833 0.000) 2.745 2.109 ( -9.193 -0.407 0.000) 9.202 2.208 ( 2.894 -5.300 0.000) 6.038 2.368 ( -8.051 1.667 0.000) 8.222 2.450 ( -10.923 2.980 0.000) 11.322 2.696 ( -6.499 1.176 0.000) 6.605 2.737 ( -7.741 2.542 0.000) 8.148 2.836 ( 4.318 -0.432 0.000) 4.339 2.931 ( -2.027 0.140 0.000) 2.031 2.934 ( -0.054 -0.404 0.000) 0.408 3.033 ( -2.889 -1.296 0.000) 3.166 3.170 ( 1.858 -0.092 0.000) 1.860 3.218 ( 2.070 -1.048 0.000) 2.320 3.849 ( -8.711 -0.243 0.000) 8.714 4.006 ( -3.975 2.881 0.000) 4.910 4.151 ( -4.713 2.833 0.000) 5.499 4.225 ( -0.200 1.446 0.000) 1.460 4.293 ( -3.888 0.603 0.000) 3.934 4.346 ( -0.698 1.673 0.000) 1.813 4.412 ( -2.489 3.563 0.000) 4.346 4.531 ( -2.395 -0.744 0.000) 2.508 4.537 ( 0.772 -0.291 0.000) 0.824 4.624 ( 5.919 -2.491 0.000) 6.421 4.738 ( -3.114 1.614 0.000) 3.507 4.801 ( 2.791 2.390 0.000) 3.674 4.818 ( -1.856 -0.431 0.000) 1.905 4.951 ( 1.306 -1.662 0.000) 2.114 4.961 ( -3.980 1.558 0.000) 4.274 4.982 ( -1.683 -0.486 0.000) 1.752 5.221 ( 4.029 -6.366 0.000) 7.534 5.460 ( -1.768 -1.608 0.000) 2.390 5.520 ( 3.566 -3.864 0.000) 5.258 5.639 ( 1.216 -3.248 0.000) 3.468 5.886 ( 1.035 -1.258 0.000) 1.629 5.893 ( 0.862 -1.215 0.000) 1.490 6.029 ( 1.543 0.381 0.000) 1.589 6.034 ( 2.327 1.180 0.000) 2.609 6.080 ( -1.310 -0.904 0.000) 1.592 6.202 ( 3.291 -1.857 0.000) 3.779 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -12.121 7.184 0.000) 14.090 0.988 ( -13.526 7.814 0.000) 15.620 1.305 ( -10.410 8.267 0.000) 13.293 1.473 ( -8.496 -1.723 0.000) 8.669 1.667 ( -8.172 -3.718 0.000) 8.978 1.700 ( -13.542 2.460 0.000) 13.763 1.765 ( -3.230 -1.140 0.000) 3.425 1.854 ( -4.707 -0.799 0.000) 4.774 1.877 ( -2.466 -3.718 0.000) 4.461 1.917 ( -9.888 -1.387 0.000) 9.985 2.048 ( -1.000 -1.122 0.000) 1.503 2.100 ( -13.142 3.524 0.000) 13.606 2.145 ( -14.886 -1.926 0.000) 15.010 2.333 ( 3.036 -1.602 0.000) 3.433 2.459 ( -13.818 -7.723 0.000) 15.830 2.682 ( 0.351 -2.580 0.000) 2.604 2.898 ( -0.529 0.613 0.000) 0.810 2.907 ( 0.424 0.068 0.000) 0.430 2.974 ( 1.168 0.737 0.000) 1.382 3.046 ( 4.262 -1.018 0.000) 4.382 3.212 ( 4.333 3.829 0.000) 5.782 3.254 ( 1.892 1.190 0.000) 2.235 3.722 ( -6.138 -3.175 0.000) 6.910 3.851 ( -8.921 2.138 0.000) 9.173 4.112 ( -0.207 0.856 0.000) 0.881 4.165 ( -10.610 -1.196 0.000) 10.677 4.209 ( -1.895 -2.959 0.000) 3.514 4.278 ( -6.097 -0.708 0.000) 6.138 4.353 ( -1.344 3.610 0.000) 3.852 4.458 ( -5.502 4.811 0.000) 7.309 4.523 ( -3.179 -2.914 0.000) 4.312 4.587 ( -4.074 0.666 0.000) 4.128 4.724 ( -8.162 -0.346 0.000) 8.169 4.749 ( 3.981 0.006 0.000) 3.981 4.866 ( 1.449 -1.889 0.000) 2.381 4.932 ( 2.980 -0.654 0.000) 3.050 4.973 ( 0.068 -2.545 0.000) 2.546 5.033 ( 5.884 0.419 0.000) 5.899 5.391 ( 9.804 -1.547 0.000) 9.925 5.446 ( -0.249 -0.172 0.000) 0.303 5.603 ( 3.228 -2.388 0.000) 4.015 5.697 ( 2.751 -1.949 0.000) 3.371 5.906 ( 0.552 -0.761 0.000) 0.940 5.914 ( 0.685 -0.945 0.000) 1.167 6.031 ( -2.284 0.290 0.000) 2.302 6.060 ( -0.173 -1.878 0.000) 1.886 6.068 ( 2.280 2.620 0.000) 3.473 6.283 ( 4.516 -0.697 0.000) 4.570 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -10.075 12.048 0.000) 15.705 0.707 ( -6.738 18.432 0.000) 19.625 1.074 ( -6.422 14.280 0.000) 15.658 1.243 ( -24.209 19.874 0.000) 31.322 1.299 ( -9.182 3.575 0.000) 9.853 1.574 ( -4.626 -2.565 0.000) 5.289 1.654 ( -9.755 -4.885 0.000) 10.910 1.747 ( -0.044 -4.563 0.000) 4.563 1.808 ( -8.637 -4.026 0.000) 9.529 1.854 ( -2.542 -5.185 0.000) 5.775 1.920 ( -5.350 -0.045 0.000) 5.351 1.975 ( -3.443 -3.905 0.000) 5.206 2.000 ( -4.312 -5.566 0.000) 7.041 2.346 ( -3.716 -9.700 0.000) 10.388 2.359 ( 0.653 4.307 0.000) 4.356 2.757 ( 3.493 -8.395 0.000) 9.093 2.903 ( 0.945 0.789 0.000) 1.231 2.910 ( -0.038 -0.257 0.000) 0.260 2.973 ( 0.659 2.610 0.000) 2.692 3.097 ( 0.460 -0.484 0.000) 0.668 3.290 ( 3.599 2.997 0.000) 4.683 3.301 ( 5.991 4.043 0.000) 7.228 3.633 ( -5.144 -2.423 0.000) 5.686 3.685 ( -7.468 -0.138 0.000) 7.469 3.890 ( -15.522 0.109 0.000) 15.522 4.025 ( -12.690 -4.087 0.000) 13.332 4.182 ( -3.967 -1.161 0.000) 4.133 4.204 ( -0.376 -6.533 0.000) 6.544 4.329 ( -4.407 1.149 0.000) 4.554 4.331 ( 1.297 4.730 0.000) 4.904 4.455 ( -6.228 -6.150 0.000) 8.753 4.565 ( 0.721 3.253 0.000) 3.332 4.596 ( -4.607 -1.807 0.000) 4.948 4.799 ( 1.824 1.175 0.000) 2.170 4.864 ( -0.635 -0.346 0.000) 0.723 4.987 ( -0.073 -2.080 0.000) 2.081 5.039 ( 4.428 -2.943 0.000) 5.317 5.135 ( 4.299 -0.109 0.000) 4.301 5.439 ( -0.417 0.837 0.000) 0.935 5.570 ( 7.504 1.368 0.000) 7.628 5.665 ( 2.083 -1.276 0.000) 2.443 5.770 ( 6.464 3.219 0.000) 7.222 5.925 ( 1.014 -0.620 0.000) 1.189 5.929 ( 0.396 -0.584 0.000) 0.706 5.971 ( -3.177 -0.043 0.000) 3.177 6.063 ( -2.107 -3.588 0.000) 4.161 6.087 ( 1.470 3.597 0.000) 3.886 6.378 ( 5.053 0.357 0.000) 5.066 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -0.000 16.936 0.000) 16.936 0.573 ( -0.000 24.388 0.000) 24.388 0.749 ( -0.000 31.826 0.000) 31.826 0.919 ( -0.000 17.721 0.000) 17.721 1.159 ( -0.000 5.443 0.000) 5.443 1.487 ( -0.000 0.394 0.000) 0.394 1.671 ( 0.000 -12.353 0.000) 12.353 1.701 ( 0.000 -2.940 0.000) 2.940 1.778 ( 0.000 -2.521 0.000) 2.521 1.862 ( 0.000 -7.012 0.000) 7.012 1.879 ( 0.000 -0.392 0.000) 0.392 1.973 ( 0.000 -3.416 0.000) 3.416 1.996 ( 0.000 -8.480 0.000) 8.480 2.325 ( -0.000 8.836 0.000) 8.836 2.372 ( 0.000 -9.722 0.000) 9.722 2.861 ( 0.000 -10.804 0.000) 10.804 2.910 ( -0.000 0.030 0.000) 0.030 2.911 ( -0.000 0.384 0.000) 0.384 2.967 ( -0.000 3.383 0.000) 3.383 3.097 ( -0.000 0.763 0.000) 0.763 3.346 ( -0.000 2.750 0.000) 2.750 3.402 ( -0.000 2.117 0.000) 2.117 3.473 ( -0.000 1.049 0.000) 1.049 3.607 ( 0.000 -0.487 0.000) 0.487 3.712 ( -0.000 0.951 0.000) 0.951 3.806 ( 0.000 -0.656 0.000) 0.656 4.149 ( 0.000 -1.380 0.000) 1.380 4.241 ( 0.000 -4.884 0.000) 4.884 4.286 ( 0.000 -0.188 0.000) 0.188 4.350 ( -0.000 1.866 0.000) 1.866 4.380 ( 0.000 -1.764 0.000) 1.764 4.550 ( -0.000 4.441 0.000) 4.441 4.566 ( 0.000 -1.550 0.000) 1.550 4.810 ( -0.000 1.003 0.000) 1.003 4.859 ( 0.000 -0.174 0.000) 0.174 4.997 ( 0.000 -2.216 0.000) 2.216 5.100 ( 0.000 -2.713 0.000) 2.713 5.182 ( 0.000 -0.796 0.000) 0.796 5.423 ( -0.000 1.788 0.000) 1.788 5.629 ( -0.000 2.146 0.000) 2.146 5.692 ( 0.000 -1.021 0.000) 1.021 5.915 ( -0.000 0.660 0.000) 0.660 5.931 ( 0.000 -2.058 0.000) 2.058 5.936 ( 0.000 -0.431 0.000) 0.431 5.943 ( -0.000 0.605 0.000) 0.605 5.998 ( 0.000 -0.991 0.000) 0.991 6.081 ( -0.000 3.618 0.000) 3.618 6.446 ( 0.000 -0.953 0.000) 0.953 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.302 -0.000 0.000) 5.302 1.710 ( 0.195 -0.000 0.000) 0.195 1.728 ( -1.320 0.000 0.000) 1.320 1.731 ( -1.852 0.000 0.000) 1.852 1.956 ( 1.408 -0.000 0.000) 1.408 1.982 ( 2.184 -0.000 0.000) 2.184 2.043 ( -5.432 0.000 0.000) 5.432 2.124 ( -5.908 0.000 0.000) 5.908 2.187 ( -2.792 0.000 0.000) 2.792 2.194 ( 2.849 -0.000 0.000) 2.849 2.423 ( -0.901 0.000 0.000) 0.901 2.447 ( -3.499 0.000 0.000) 3.499 2.462 ( 9.124 -0.000 0.000) 9.124 2.488 ( 9.306 -0.000 0.000) 9.306 2.570 ( 0.913 -0.000 0.000) 0.913 2.588 ( -7.393 0.000 0.000) 7.393 2.987 ( 1.522 -0.000 0.000) 1.522 3.035 ( 0.667 -0.000 0.000) 0.667 3.049 ( -2.059 0.000 0.000) 2.059 3.151 ( -5.290 0.000 0.000) 5.290 3.221 ( 4.012 -0.000 0.000) 4.012 3.279 ( -5.281 0.000 0.000) 5.281 3.781 ( 2.226 -0.000 0.000) 2.226 3.817 ( 1.441 -0.000 0.000) 1.441 4.252 ( 1.990 -0.000 0.000) 1.990 4.325 ( 1.976 -0.000 0.000) 1.976 4.452 ( 9.801 -0.000 0.000) 9.801 4.475 ( 0.327 -0.000 0.000) 0.327 4.527 ( -0.426 0.000 0.000) 0.426 4.577 ( 3.420 -0.000 0.000) 3.420 4.648 ( 4.254 -0.000 0.000) 4.254 4.686 ( -4.088 0.000 0.000) 4.088 4.775 ( -0.797 0.000 0.000) 0.797 4.812 ( 6.599 -0.000 0.000) 6.599 4.848 ( -1.234 0.000 0.000) 1.234 4.966 ( -0.300 0.000 0.000) 0.300 4.968 ( 1.019 -0.000 0.000) 1.019 5.109 ( 3.772 -0.000 0.000) 3.772 5.167 ( -9.316 0.000 0.000) 9.316 5.293 ( -6.889 0.000 0.000) 6.889 5.707 ( 0.409 -0.000 0.000) 0.409 5.730 ( 2.474 -0.000 0.000) 2.474 5.816 ( -0.721 0.000 0.000) 0.721 5.869 ( -1.155 0.000 0.000) 1.155 5.923 ( -2.089 0.000 0.000) 2.089 5.925 ( -1.503 0.000 0.000) 1.503 6.025 ( -2.195 0.000 0.000) 2.195 6.044 ( -3.937 0.000 0.000) 3.937 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -3.666 1.118 0.000) 3.833 1.667 ( -4.253 -1.138 0.000) 4.403 1.722 ( 0.962 -0.032 0.000) 0.963 1.809 ( 3.865 -0.043 0.000) 3.865 1.884 ( -11.588 3.160 0.000) 12.011 1.948 ( -4.007 -2.231 0.000) 4.586 1.988 ( -0.759 1.000 0.000) 1.256 2.015 ( 1.742 -1.022 0.000) 2.019 2.196 ( -2.517 0.330 0.000) 2.539 2.237 ( 3.328 0.319 0.000) 3.343 2.364 ( -2.330 3.290 0.000) 4.032 2.443 ( -4.222 -1.932 0.000) 4.643 2.444 ( -4.128 -1.978 0.000) 4.578 2.580 ( -0.202 0.572 0.000) 0.607 2.585 ( 0.447 -3.070 0.000) 3.102 2.631 ( 8.748 0.091 0.000) 8.749 3.010 ( -1.479 0.369 0.000) 1.524 3.018 ( 1.119 -0.387 0.000) 1.184 3.023 ( -1.653 -0.776 0.000) 1.826 3.047 ( -5.066 0.305 0.000) 5.076 3.214 ( -0.783 -0.391 0.000) 0.875 3.227 ( -1.506 0.544 0.000) 1.601 3.876 ( 7.017 0.531 0.000) 7.037 3.931 ( 9.123 0.976 0.000) 9.175 4.297 ( 2.678 1.025 0.000) 2.868 4.359 ( 2.032 3.015 0.000) 3.636 4.420 ( -5.642 -1.216 0.000) 5.771 4.489 ( -3.299 -0.944 0.000) 3.431 4.520 ( -0.433 -0.011 0.000) 0.433 4.620 ( -2.608 -0.130 0.000) 2.611 4.660 ( 0.032 -0.115 0.000) 0.119 4.699 ( -0.222 -1.722 0.000) 1.737 4.718 ( -4.069 -0.123 0.000) 4.071 4.814 ( -2.201 0.010 0.000) 2.201 4.921 ( 3.693 0.309 0.000) 3.706 4.963 ( -0.511 0.092 0.000) 0.519 5.003 ( -4.144 0.047 0.000) 4.144 5.014 ( 2.501 -0.097 0.000) 2.503 5.177 ( 2.061 1.445 0.000) 2.517 5.203 ( -0.713 -1.578 0.000) 1.731 5.678 ( -3.683 -0.015 0.000) 3.683 5.737 ( -2.035 -0.137 0.000) 2.039 5.819 ( 0.820 0.134 0.000) 0.831 5.852 ( -0.592 -0.073 0.000) 0.597 5.896 ( -0.263 0.106 0.000) 0.284 5.913 ( 0.343 -0.062 0.000) 0.348 5.996 ( -0.472 -0.403 0.000) 0.620 6.016 ( 1.276 -0.143 0.000) 1.284 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -7.367 -0.102 0.000) 7.368 1.622 ( -1.798 -1.173 0.000) 2.147 1.669 ( -9.823 -1.525 0.000) 9.941 1.744 ( 1.020 -0.967 0.000) 1.406 1.834 ( -1.533 -0.298 0.000) 1.561 1.865 ( -5.717 -1.740 0.000) 5.976 1.975 ( 1.057 2.332 0.000) 2.561 2.049 ( -1.672 -1.497 0.000) 2.244 2.102 ( -6.626 -0.380 0.000) 6.637 2.264 ( -0.403 4.597 0.000) 4.615 2.280 ( -9.508 -0.033 0.000) 9.508 2.318 ( -1.776 -2.098 0.000) 2.749 2.442 ( -1.807 -3.682 0.000) 4.102 2.539 ( 0.493 2.616 0.000) 2.662 2.605 ( 0.022 -0.613 0.000) 0.614 2.791 ( 7.779 0.549 0.000) 7.798 2.964 ( -2.926 0.891 0.000) 3.059 2.976 ( -1.575 0.236 0.000) 1.593 3.025 ( 1.503 -2.278 0.000) 2.729 3.047 ( 1.539 -0.400 0.000) 1.590 3.187 ( -2.973 0.591 0.000) 3.031 3.217 ( -1.804 -2.140 0.000) 2.799 4.011 ( 6.823 1.379 0.000) 6.961 4.087 ( 6.446 2.038 0.000) 6.760 4.297 ( -1.499 2.167 0.000) 2.635 4.322 ( -3.977 5.012 0.000) 6.398 4.378 ( 1.489 -2.530 0.000) 2.935 4.432 ( -2.833 -3.064 0.000) 4.173 4.500 ( -1.693 1.176 0.000) 2.062 4.556 ( -7.888 2.609 0.000) 8.308 4.578 ( -2.455 -2.062 0.000) 3.206 4.594 ( -4.204 1.998 0.000) 4.655 4.748 ( 1.570 -2.788 0.000) 3.199 4.772 ( -1.789 0.407 0.000) 1.834 4.895 ( -3.999 0.152 0.000) 4.002 4.935 ( -1.313 0.335 0.000) 1.355 4.953 ( -1.189 -1.285 0.000) 1.751 5.122 ( 3.789 -1.594 0.000) 4.110 5.163 ( -0.518 2.791 0.000) 2.838 5.279 ( 4.096 -3.166 0.000) 5.177 5.581 ( -5.854 -0.419 0.000) 5.869 5.671 ( -4.133 -0.676 0.000) 4.188 5.836 ( 0.998 0.336 0.000) 1.053 5.848 ( 0.138 -0.379 0.000) 0.403 5.920 ( 2.404 -0.697 0.000) 2.503 5.940 ( 2.265 -0.231 0.000) 2.277 6.024 ( 2.360 -0.789 0.000) 2.489 6.061 ( 2.706 -0.527 0.000) 2.756 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -8.821 1.160 0.000) 8.897 1.505 ( -9.053 -0.606 0.000) 9.073 1.599 ( -2.007 -1.723 0.000) 2.645 1.767 ( -3.413 -8.869 0.000) 9.503 1.772 ( -4.917 -0.619 0.000) 4.956 1.795 ( 0.718 -0.065 0.000) 0.721 1.930 ( -8.765 -2.115 0.000) 9.017 1.964 ( -8.507 -2.605 0.000) 8.897 2.002 ( 1.330 2.242 0.000) 2.607 2.086 ( -9.879 0.297 0.000) 9.884 2.202 ( -4.653 2.022 0.000) 5.073 2.241 ( -5.353 -0.604 0.000) 5.387 2.448 ( -0.585 -3.045 0.000) 3.100 2.593 ( -0.722 3.666 0.000) 3.736 2.633 ( 9.959 3.860 0.000) 10.681 2.893 ( 2.105 2.487 0.000) 3.258 2.925 ( -1.844 -0.697 0.000) 1.972 2.948 ( -1.135 0.240 0.000) 1.161 3.008 ( -8.038 1.803 0.000) 8.238 3.075 ( -1.356 -1.183 0.000) 1.799 3.129 ( -5.982 -4.285 0.000) 7.359 3.143 ( 1.688 -1.767 0.000) 2.444 4.070 ( -4.411 3.175 0.000) 5.435 4.089 ( -1.063 3.590 0.000) 3.744 4.251 ( -0.814 0.992 0.000) 1.283 4.307 ( -8.937 -0.290 0.000) 8.942 4.309 ( 3.382 1.836 0.000) 3.848 4.418 ( -2.537 -0.504 0.000) 2.586 4.463 ( 3.044 0.523 0.000) 3.088 4.503 ( 1.747 0.295 0.000) 1.771 4.526 ( -1.805 4.096 0.000) 4.476 4.549 ( -2.444 -3.661 0.000) 4.402 4.751 ( -0.016 0.453 0.000) 0.453 4.767 ( 1.521 1.695 0.000) 2.277 4.885 ( 1.417 -3.394 0.000) 3.678 4.893 ( -2.847 0.226 0.000) 2.856 4.960 ( 1.637 -1.938 0.000) 2.537 5.102 ( -4.486 3.071 0.000) 5.436 5.140 ( -2.976 -2.919 0.000) 4.169 5.377 ( 4.093 -3.839 0.000) 5.612 5.484 ( -4.264 -1.285 0.000) 4.453 5.613 ( -2.177 -1.279 0.000) 2.525 5.854 ( 0.963 -0.145 0.000) 0.974 5.860 ( 0.753 -0.667 0.000) 1.006 5.981 ( 3.194 -0.545 0.000) 3.240 5.992 ( 2.835 -0.016 0.000) 2.835 6.069 ( 1.367 -0.643 0.000) 1.511 6.115 ( 2.442 -1.403 0.000) 2.816 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -9.877 3.759 0.000) 10.568 1.313 ( -9.433 4.992 0.000) 10.673 1.534 ( -5.788 -0.101 0.000) 5.789 1.631 ( -9.697 0.993 0.000) 9.748 1.733 ( -5.148 -7.106 0.000) 8.775 1.809 ( -6.730 -3.422 0.000) 7.550 1.813 ( -4.458 -4.209 0.000) 6.131 1.845 ( -1.291 -4.212 0.000) 4.406 1.903 ( -6.953 -0.866 0.000) 7.007 2.037 ( 1.535 1.240 0.000) 1.974 2.056 ( -10.018 -7.415 0.000) 12.463 2.217 ( 3.777 5.152 0.000) 6.388 2.379 ( -8.358 0.338 0.000) 8.364 2.489 ( -10.968 3.711 0.000) 11.579 2.712 ( -14.336 1.558 0.000) 14.421 2.763 ( -9.031 2.114 0.000) 9.276 2.838 ( 7.703 0.756 0.000) 7.740 2.925 ( -1.607 -1.368 0.000) 2.111 2.929 ( -0.772 -0.431 0.000) 0.884 3.019 ( -0.667 -1.135 0.000) 1.317 3.166 ( 3.774 -0.577 0.000) 3.818 3.208 ( 3.252 -0.719 0.000) 3.330 3.866 ( -10.240 3.362 0.000) 10.778 4.037 ( -5.004 2.417 0.000) 5.557 4.168 ( -4.965 -0.074 0.000) 4.965 4.228 ( -2.171 -0.316 0.000) 2.194 4.300 ( -5.282 0.588 0.000) 5.314 4.359 ( -2.190 0.498 0.000) 2.246 4.457 ( -2.758 3.850 0.000) 4.736 4.527 ( -0.510 -1.075 0.000) 1.190 4.527 ( -0.033 -0.227 0.000) 0.229 4.597 ( 8.007 -2.261 0.000) 8.320 4.755 ( -1.728 1.266 0.000) 2.142 4.812 ( -4.310 -0.435 0.000) 4.332 4.826 ( 3.185 2.058 0.000) 3.793 4.933 ( 1.413 -1.403 0.000) 1.991 4.979 ( -5.303 1.443 0.000) 5.496 4.980 ( -2.325 0.227 0.000) 2.336 5.147 ( 5.733 -6.465 0.000) 8.640 5.441 ( -1.227 -1.535 0.000) 1.965 5.479 ( 4.435 -3.283 0.000) 5.518 5.614 ( 1.602 -1.464 0.000) 2.170 5.875 ( 0.912 -0.842 0.000) 1.241 5.882 ( 1.020 -0.778 0.000) 1.283 6.033 ( 1.943 0.412 0.000) 1.986 6.045 ( 2.983 0.817 0.000) 3.092 6.074 ( -1.117 -0.258 0.000) 1.147 6.177 ( 3.271 -2.318 0.000) 4.009 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -9.802 7.226 0.000) 12.177 1.103 ( -7.039 12.407 0.000) 14.265 1.393 ( -6.861 6.589 0.000) 9.512 1.440 ( -9.345 -3.368 0.000) 9.933 1.614 ( -8.785 -5.212 0.000) 10.214 1.701 ( -7.993 -1.811 0.000) 8.196 1.760 ( -3.365 -0.292 0.000) 3.377 1.827 ( -3.220 -4.709 0.000) 5.704 1.834 ( -2.816 -2.719 0.000) 3.914 1.898 ( -10.212 -2.685 0.000) 10.559 2.042 ( -1.819 0.087 0.000) 1.821 2.120 ( -17.233 -2.359 0.000) 17.394 2.164 ( -14.944 6.912 0.000) 16.466 2.318 ( 5.373 -0.640 0.000) 5.411 2.384 ( -16.610 -5.536 0.000) 17.509 2.661 ( -2.791 -1.168 0.000) 3.025 2.903 ( -0.541 0.059 0.000) 0.544 2.906 ( -0.240 -0.238 0.000) 0.338 2.980 ( 2.961 0.359 0.000) 2.983 3.036 ( 2.565 -0.725 0.000) 2.665 3.253 ( 6.255 3.324 0.000) 7.083 3.267 ( 3.008 1.004 0.000) 3.172 3.698 ( -6.523 -0.746 0.000) 6.565 3.872 ( -9.809 1.312 0.000) 9.896 4.117 ( -1.705 -0.193 0.000) 1.716 4.152 ( -10.928 -1.002 0.000) 10.974 4.174 ( -4.507 -2.638 0.000) 5.222 4.269 ( -6.335 -0.898 0.000) 6.399 4.385 ( -2.831 1.478 0.000) 3.193 4.486 ( -4.670 -2.878 0.000) 5.486 4.508 ( -6.217 4.018 0.000) 7.402 4.594 ( -3.723 0.569 0.000) 3.766 4.726 ( -9.542 0.303 0.000) 9.547 4.750 ( 5.673 0.115 0.000) 5.674 4.841 ( 2.319 -2.402 0.000) 3.339 4.928 ( 0.726 -0.241 0.000) 0.765 4.946 ( 0.916 -2.086 0.000) 2.279 5.049 ( 6.550 2.347 0.000) 6.958 5.356 ( 10.306 -4.426 0.000) 11.216 5.445 ( 1.264 0.024 0.000) 1.265 5.578 ( 4.203 -1.974 0.000) 4.644 5.685 ( 4.926 -0.353 0.000) 4.939 5.897 ( 0.886 -0.868 0.000) 1.240 5.905 ( 0.920 -0.683 0.000) 1.146 6.033 ( -2.955 0.064 0.000) 2.956 6.049 ( -0.139 -0.280 0.000) 0.313 6.095 ( 3.013 2.205 0.000) 3.734 6.270 ( 5.096 -1.520 0.000) 5.318 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -7.148 11.604 0.000) 13.629 0.928 ( -0.993 20.306 0.000) 20.331 1.225 ( -4.108 11.936 0.000) 12.623 1.321 ( -5.758 -0.744 0.000) 5.806 1.437 ( -16.366 13.685 0.000) 21.334 1.520 ( -3.353 -5.302 0.000) 6.273 1.628 ( -12.765 -1.047 0.000) 12.808 1.698 ( -3.100 -3.268 0.000) 4.504 1.781 ( -8.673 -0.889 0.000) 8.719 1.789 ( -4.526 -5.888 0.000) 7.427 1.908 ( -5.785 -2.033 0.000) 6.132 1.935 ( -4.791 -2.719 0.000) 5.509 1.949 ( -5.760 -3.420 0.000) 6.699 2.247 ( -3.044 -7.975 0.000) 8.536 2.373 ( 0.035 -1.623 0.000) 1.623 2.686 ( 3.295 -4.009 0.000) 5.189 2.905 ( -0.108 -0.655 0.000) 0.664 2.910 ( 1.088 0.409 0.000) 1.162 2.997 ( 0.849 1.747 0.000) 1.943 3.087 ( 1.182 -1.328 0.000) 1.778 3.320 ( 4.105 2.430 0.000) 4.770 3.354 ( 5.871 5.059 0.000) 7.750 3.606 ( -4.834 -2.144 0.000) 5.288 3.686 ( -8.403 0.174 0.000) 8.405 3.891 ( -14.434 0.113 0.000) 14.434 3.984 ( -14.269 -3.204 0.000) 14.624 4.139 ( -0.464 -5.100 0.000) 5.121 4.169 ( -4.185 -0.991 0.000) 4.301 4.338 ( -6.192 0.485 0.000) 6.211 4.362 ( 0.763 -0.138 0.000) 0.776 4.401 ( -4.970 -2.591 0.000) 5.605 4.582 ( -4.990 -1.019 0.000) 5.093 4.599 ( 1.533 2.586 0.000) 3.006 4.815 ( 2.188 1.557 0.000) 2.685 4.858 ( -0.415 -0.699 0.000) 0.812 4.969 ( 0.432 -0.975 0.000) 1.066 5.004 ( 3.960 -3.105 0.000) 5.032 5.142 ( 3.987 1.557 0.000) 4.280 5.447 ( 0.668 0.496 0.000) 0.833 5.569 ( 7.251 -1.592 0.000) 7.424 5.653 ( 2.597 -0.874 0.000) 2.741 5.796 ( 7.025 1.543 0.000) 7.192 5.919 ( 1.235 -0.282 0.000) 1.267 5.923 ( 0.543 -0.508 0.000) 0.743 5.970 ( -3.243 0.029 0.000) 3.243 6.036 ( -1.864 -1.427 0.000) 2.347 6.128 ( 1.955 3.583 0.000) 4.082 6.375 ( 4.777 -0.664 0.000) 4.823 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -0.000 15.081 0.000) 15.081 0.834 ( -0.000 22.081 0.000) 22.081 1.085 ( -0.000 27.917 0.000) 27.917 1.114 ( -0.000 15.923 0.000) 15.923 1.225 ( -0.000 6.009 0.000) 6.009 1.487 ( 0.000 -0.480 0.000) 0.480 1.552 ( 0.000 -8.719 0.000) 8.719 1.671 ( 0.000 -2.162 0.000) 2.162 1.735 ( 0.000 -14.365 0.000) 14.365 1.747 ( 0.000 -2.894 0.000) 2.894 1.868 ( 0.000 -1.760 0.000) 1.760 1.923 ( 0.000 -4.690 0.000) 4.690 1.929 ( 0.000 -4.236 0.000) 4.236 2.271 ( 0.000 -8.232 0.000) 8.232 2.378 ( 0.000 -0.108 0.000) 0.108 2.759 ( 0.000 -5.919 0.000) 5.919 2.907 ( 0.000 -0.471 0.000) 0.471 2.921 ( -0.000 0.770 0.000) 0.770 2.998 ( -0.000 2.176 0.000) 2.176 3.100 ( 0.000 -0.221 0.000) 0.221 3.388 ( -0.000 4.624 0.000) 4.624 3.415 ( -0.000 0.350 0.000) 0.350 3.486 ( -0.000 1.373 0.000) 1.373 3.601 ( 0.000 -0.535 0.000) 0.535 3.724 ( -0.000 1.157 0.000) 1.157 3.797 ( 0.000 -0.929 0.000) 0.929 4.134 ( 0.000 -1.347 0.000) 1.347 4.174 ( 0.000 -6.290 0.000) 6.290 4.282 ( 0.000 -0.576 0.000) 0.576 4.358 ( 0.000 -1.947 0.000) 1.947 4.373 ( -0.000 1.446 0.000) 1.446 4.545 ( 0.000 -2.085 0.000) 2.085 4.597 ( -0.000 3.602 0.000) 3.602 4.826 ( -0.000 1.743 0.000) 1.743 4.856 ( 0.000 -0.358 0.000) 0.358 4.976 ( 0.000 -1.135 0.000) 1.135 5.064 ( 0.000 -3.500 0.000) 3.500 5.177 ( -0.000 0.146 0.000) 0.146 5.444 ( -0.000 1.921 0.000) 1.921 5.644 ( -0.000 0.160 0.000) 0.160 5.682 ( 0.000 -0.670 0.000) 0.670 5.905 ( 0.000 -2.548 0.000) 2.548 5.923 ( -0.000 0.786 0.000) 0.786 5.931 ( 0.000 -0.434 0.000) 0.434 5.950 ( -0.000 0.718 0.000) 0.718 5.990 ( 0.000 -0.367 0.000) 0.367 6.125 ( -0.000 4.130 0.000) 4.130 6.435 ( 0.000 -1.110 0.000) 1.110 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -7.260 0.000 0.000) 7.260 1.615 ( -1.959 0.000 0.000) 1.959 1.660 ( -10.621 0.000 0.000) 10.621 1.738 ( 0.277 -0.000 0.000) 0.277 1.832 ( -1.789 0.000 0.000) 1.789 1.856 ( -5.524 0.000 0.000) 5.524 1.990 ( 1.260 -0.000 0.000) 1.260 2.038 ( -1.690 0.000 0.000) 1.690 2.100 ( -7.008 0.000 0.000) 7.008 2.280 ( -9.420 0.000 0.000) 9.420 2.291 ( 0.956 -0.000 0.000) 0.956 2.318 ( -2.365 0.000 0.000) 2.365 2.405 ( -3.347 0.000 0.000) 3.347 2.555 ( 0.753 -0.000 0.000) 0.753 2.605 ( 1.963 -0.000 0.000) 1.963 2.794 ( 7.988 -0.000 0.000) 7.988 2.971 ( -3.203 0.000 0.000) 3.203 2.978 ( -1.599 0.000 0.000) 1.599 3.011 ( 1.909 -0.000 0.000) 1.909 3.045 ( 1.523 -0.000 0.000) 1.523 3.190 ( -3.047 0.000 0.000) 3.047 3.205 ( -2.168 0.000 0.000) 2.168 4.019 ( 7.017 -0.000 0.000) 7.017 4.098 ( 6.187 -0.000 0.000) 6.187 4.313 ( -3.160 0.000 0.000) 3.160 4.360 ( 3.157 -0.000 0.000) 3.157 4.360 ( -8.153 0.000 0.000) 8.153 4.406 ( 0.688 -0.000 0.000) 0.688 4.508 ( -0.893 0.000 0.000) 0.893 4.565 ( -3.324 0.000 0.000) 3.324 4.573 ( -8.213 0.000 0.000) 8.213 4.608 ( -2.863 0.000 0.000) 2.863 4.726 ( 2.077 -0.000 0.000) 2.077 4.774 ( -1.778 0.000 0.000) 1.778 4.898 ( -4.837 0.000 0.000) 4.837 4.937 ( -1.443 0.000 0.000) 1.443 4.944 ( -1.320 0.000 0.000) 1.320 5.113 ( 3.880 -0.000 0.000) 3.880 5.182 ( -0.488 0.000 0.000) 0.488 5.257 ( 4.058 -0.000 0.000) 4.058 5.579 ( -5.983 0.000 0.000) 5.983 5.668 ( -4.280 0.000 0.000) 4.280 5.838 ( 0.934 -0.000 0.000) 0.934 5.846 ( 0.096 -0.000 0.000) 0.096 5.916 ( 2.320 -0.000 0.000) 2.320 5.939 ( 2.281 -0.000 0.000) 2.281 6.020 ( 2.427 -0.000 0.000) 2.427 6.058 ( 2.619 -0.000 0.000) 2.619 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -8.054 0.454 0.000) 8.067 1.506 ( -5.726 0.497 0.000) 5.747 1.585 ( -1.633 -0.663 0.000) 1.762 1.691 ( -6.029 -3.964 0.000) 7.215 1.767 ( -4.589 -0.298 0.000) 4.599 1.795 ( 0.027 0.015 0.000) 0.031 1.914 ( -9.816 -0.711 0.000) 9.842 1.944 ( -9.199 -0.894 0.000) 9.242 2.019 ( 0.982 0.787 0.000) 1.258 2.088 ( -9.724 0.103 0.000) 9.724 2.186 ( -10.717 -1.530 0.000) 10.826 2.284 ( 0.206 3.991 0.000) 3.996 2.409 ( 1.163 -3.076 0.000) 3.288 2.621 ( -0.745 1.334 0.000) 1.528 2.665 ( 9.877 1.522 0.000) 9.993 2.919 ( 4.347 1.659 0.000) 4.653 2.920 ( -2.148 -0.157 0.000) 2.154 2.950 ( -1.014 0.137 0.000) 1.023 3.022 ( -7.359 0.654 0.000) 7.388 3.058 ( -7.440 -1.455 0.000) 7.581 3.095 ( -2.250 -1.383 0.000) 2.641 3.129 ( 1.478 -0.654 0.000) 1.616 4.103 ( -1.446 2.448 0.000) 2.843 4.115 ( -1.533 0.786 0.000) 1.723 4.250 ( -2.599 -0.540 0.000) 2.654 4.300 ( -10.560 -0.517 0.000) 10.572 4.325 ( 3.627 0.886 0.000) 3.733 4.407 ( 0.178 -0.802 0.000) 0.822 4.481 ( -0.251 2.303 0.000) 2.316 4.507 ( 0.947 0.284 0.000) 0.989 4.512 ( -1.976 -3.020 0.000) 3.609 4.564 ( -1.911 2.121 0.000) 2.855 4.754 ( -0.150 0.126 0.000) 0.196 4.781 ( 3.082 0.618 0.000) 3.144 4.854 ( 1.139 -1.693 0.000) 2.040 4.894 ( -2.839 0.054 0.000) 2.840 4.943 ( 1.952 -0.954 0.000) 2.172 5.120 ( -3.622 -0.817 0.000) 3.713 5.128 ( -5.136 1.370 0.000) 5.316 5.345 ( 4.563 -1.655 0.000) 4.854 5.475 ( -4.481 -0.448 0.000) 4.503 5.603 ( -2.101 -0.430 0.000) 2.145 5.853 ( 0.681 -0.035 0.000) 0.682 5.855 ( 0.761 -0.218 0.000) 0.792 5.977 ( 3.635 -0.191 0.000) 3.640 5.991 ( 3.035 -0.012 0.000) 3.035 6.064 ( 1.658 -0.221 0.000) 1.673 6.104 ( 2.000 -0.544 0.000) 2.073 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -8.501 2.437 0.000) 8.843 1.389 ( -4.595 8.218 0.000) 9.416 1.527 ( -6.074 -0.856 0.000) 6.134 1.635 ( -4.232 -9.857 0.000) 10.727 1.653 ( -7.432 2.745 0.000) 7.922 1.758 ( -5.731 -5.012 0.000) 7.614 1.775 ( -8.522 -2.594 0.000) 8.907 1.815 ( 0.549 -1.368 0.000) 1.474 1.901 ( -7.382 0.060 0.000) 7.382 1.984 ( -11.069 -4.736 0.000) 12.040 2.049 ( 0.908 0.754 0.000) 1.180 2.278 ( 1.960 4.853 0.000) 5.234 2.377 ( -7.914 -0.573 0.000) 7.935 2.525 ( -9.588 2.528 0.000) 9.916 2.726 ( -19.528 0.817 0.000) 19.545 2.783 ( -10.872 1.318 0.000) 10.951 2.852 ( 9.231 1.521 0.000) 9.355 2.904 ( -1.240 -2.060 0.000) 2.405 2.925 ( -1.161 -0.391 0.000) 1.225 3.007 ( 1.348 -0.911 0.000) 1.627 3.159 ( 5.168 -0.537 0.000) 5.195 3.203 ( 4.075 -0.235 0.000) 4.082 3.921 ( -10.656 6.070 0.000) 12.263 4.047 ( -8.216 -1.361 0.000) 8.328 4.156 ( -3.999 -1.026 0.000) 4.129 4.224 ( -1.807 -0.521 0.000) 1.880 4.306 ( -6.076 0.467 0.000) 6.094 4.359 ( -4.001 -0.334 0.000) 4.015 4.490 ( -4.015 1.964 0.000) 4.469 4.514 ( -1.629 -0.818 0.000) 1.823 4.531 ( 2.515 0.590 0.000) 2.584 4.576 ( 8.929 -1.490 0.000) 9.052 4.765 ( 0.444 0.499 0.000) 0.668 4.809 ( -6.736 -0.171 0.000) 6.738 4.845 ( 3.392 1.285 0.000) 3.627 4.920 ( 0.786 -0.871 0.000) 1.173 4.988 ( -1.992 1.194 0.000) 2.322 4.992 ( -6.492 0.891 0.000) 6.553 5.083 ( 7.112 -4.792 0.000) 8.575 5.428 ( -0.749 -0.825 0.000) 1.115 5.449 ( 5.272 -1.886 0.000) 5.599 5.603 ( 2.039 -0.484 0.000) 2.095 5.867 ( 0.751 -0.456 0.000) 0.878 5.876 ( 1.109 -0.377 0.000) 1.171 6.038 ( 2.052 0.278 0.000) 2.070 6.052 ( 3.427 0.420 0.000) 3.453 6.074 ( -0.673 0.248 0.000) 0.718 6.153 ( 3.172 -1.803 0.000) 3.649 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -7.958 5.852 0.000) 9.878 1.256 ( -2.223 14.372 0.000) 14.543 1.376 ( -9.841 -4.947 0.000) 11.014 1.482 ( -6.576 6.686 0.000) 9.377 1.560 ( -7.302 -4.206 0.000) 8.427 1.667 ( -5.841 -3.920 0.000) 7.034 1.733 ( -1.653 -5.023 0.000) 5.288 1.796 ( -4.301 -0.485 0.000) 4.329 1.798 ( -5.261 -3.884 0.000) 6.539 1.853 ( -5.336 -4.580 0.000) 7.032 2.049 ( -1.312 1.020 0.000) 1.662 2.094 ( -18.913 -1.955 0.000) 19.013 2.239 ( -15.555 5.655 0.000) 16.551 2.322 ( 3.630 1.147 0.000) 3.807 2.335 ( -19.510 -3.298 0.000) 19.787 2.654 ( -3.806 -0.190 0.000) 3.811 2.899 ( -0.077 -0.638 0.000) 0.643 2.903 ( -0.741 -0.329 0.000) 0.811 2.983 ( 3.928 0.146 0.000) 3.930 3.030 ( 1.225 -0.404 0.000) 1.290 3.276 ( 3.764 0.699 0.000) 3.828 3.285 ( 8.002 2.310 0.000) 8.329 3.710 ( -7.850 2.838 0.000) 8.348 3.870 ( -10.648 -2.165 0.000) 10.866 4.107 ( -2.307 -1.243 0.000) 2.621 4.143 ( -11.206 -0.638 0.000) 11.224 4.158 ( -6.108 -0.365 0.000) 6.119 4.259 ( -6.092 -0.788 0.000) 6.142 4.385 ( -5.907 -1.015 0.000) 5.994 4.466 ( -3.799 -0.890 0.000) 3.902 4.546 ( -8.074 2.871 0.000) 8.569 4.598 ( -2.817 0.047 0.000) 2.817 4.728 ( -10.654 0.013 0.000) 10.654 4.751 ( 7.273 0.097 0.000) 7.274 4.816 ( 2.142 -1.896 0.000) 2.861 4.926 ( -0.369 -0.061 0.000) 0.374 4.928 ( 2.176 -1.047 0.000) 2.415 5.084 ( 7.554 3.745 0.000) 8.431 5.299 ( 10.068 -5.513 0.000) 11.478 5.446 ( 2.245 0.084 0.000) 2.246 5.560 ( 5.102 -1.242 0.000) 5.251 5.685 ( 6.129 0.314 0.000) 6.137 5.888 ( 1.088 -0.671 0.000) 1.278 5.899 ( 1.050 -0.413 0.000) 1.129 6.034 ( -2.554 0.071 0.000) 2.555 6.050 ( -0.903 0.267 0.000) 0.942 6.116 ( 3.652 1.473 0.000) 3.938 6.253 ( 5.764 -1.449 0.000) 5.943 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -5.269 9.671 0.000) 11.013 1.150 ( 0.838 18.992 0.000) 19.010 1.260 ( -5.478 -7.916 0.000) 9.626 1.344 ( -3.212 7.735 0.000) 8.375 1.472 ( -3.119 -2.495 0.000) 3.994 1.535 ( -8.771 3.226 0.000) 9.345 1.616 ( -11.964 -1.421 0.000) 12.048 1.693 ( -5.723 2.184 0.000) 6.125 1.730 ( -3.111 -4.677 0.000) 5.618 1.776 ( -7.323 -0.822 0.000) 7.369 1.873 ( -5.009 -4.042 0.000) 6.437 1.924 ( -7.556 -0.824 0.000) 7.601 1.932 ( -10.430 2.093 0.000) 10.638 2.166 ( -2.498 -6.532 0.000) 6.993 2.344 ( -2.083 -2.123 0.000) 2.974 2.658 ( 3.848 -1.691 0.000) 4.203 2.896 ( -0.296 -0.855 0.000) 0.905 2.911 ( 1.013 -0.120 0.000) 1.020 3.013 ( 0.853 1.171 0.000) 1.449 3.070 ( 1.621 -1.519 0.000) 2.221 3.343 ( 4.170 1.631 0.000) 4.477 3.409 ( 6.267 4.654 0.000) 7.806 3.590 ( -4.795 -0.590 0.000) 4.831 3.683 ( -8.879 -0.801 0.000) 8.915 3.892 ( -13.432 0.097 0.000) 13.433 3.954 ( -14.215 -2.111 0.000) 14.370 4.093 ( -0.605 -2.882 0.000) 2.945 4.160 ( -4.282 -0.718 0.000) 4.342 4.335 ( -0.419 -3.141 0.000) 3.169 4.342 ( -7.563 0.178 0.000) 7.565 4.390 ( -3.991 -0.790 0.000) 4.069 4.569 ( -5.873 -1.225 0.000) 6.000 4.620 ( 1.608 1.310 0.000) 2.074 4.830 ( 2.299 1.037 0.000) 2.523 4.848 ( 0.084 -1.003 0.000) 1.007 4.965 ( 1.298 0.233 0.000) 1.319 4.975 ( 3.458 -2.001 0.000) 3.995 5.174 ( 3.998 4.230 0.000) 5.820 5.446 ( 2.432 -1.126 0.000) 2.680 5.537 ( 6.105 -3.495 0.000) 7.035 5.646 ( 3.137 -0.398 0.000) 3.162 5.808 ( 6.102 0.663 0.000) 6.138 5.918 ( 1.894 -0.087 0.000) 1.896 5.918 ( 0.637 -0.375 0.000) 0.739 5.974 ( -2.927 0.713 0.000) 3.013 6.026 ( -1.677 -0.542 0.000) 1.763 6.165 ( 2.462 2.872 0.000) 3.783 6.366 ( 4.806 -0.847 0.000) 4.880 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.000 12.615 0.000) 12.615 1.063 ( -0.000 18.608 0.000) 18.608 1.230 ( -0.000 1.747 0.000) 1.747 1.288 ( -0.000 5.014 0.000) 5.014 1.356 ( -0.000 19.042 0.000) 19.042 1.476 ( 0.000 -1.324 0.000) 1.324 1.484 ( 0.000 -2.699 0.000) 2.699 1.604 ( 0.000 -5.394 0.000) 5.394 1.655 ( 0.000 -0.649 0.000) 0.649 1.717 ( 0.000 -2.437 0.000) 2.437 1.838 ( 0.000 -3.493 0.000) 3.493 1.879 ( 0.000 -3.409 0.000) 3.409 1.882 ( 0.000 -3.842 0.000) 3.842 2.187 ( 0.000 -6.777 0.000) 6.777 2.336 ( 0.000 -5.241 0.000) 5.241 2.725 ( 0.000 -1.544 0.000) 1.544 2.899 ( 0.000 -0.964 0.000) 0.964 2.925 ( 0.000 -0.008 0.000) 0.008 3.017 ( -0.000 1.213 0.000) 1.213 3.093 ( 0.000 -0.856 0.000) 0.856 3.415 ( 0.000 -0.194 0.000) 0.194 3.445 ( -0.000 5.407 0.000) 5.407 3.502 ( -0.000 1.438 0.000) 1.438 3.596 ( 0.000 -0.445 0.000) 0.445 3.736 ( -0.000 1.094 0.000) 1.094 3.785 ( 0.000 -1.058 0.000) 1.058 4.112 ( 0.000 -4.400 0.000) 4.400 4.120 ( 0.000 -0.970 0.000) 0.970 4.273 ( 0.000 -0.866 0.000) 0.866 4.338 ( 0.000 -1.629 0.000) 1.629 4.371 ( 0.000 -1.977 0.000) 1.977 4.521 ( 0.000 -2.202 0.000) 2.202 4.628 ( -0.000 1.911 0.000) 1.911 4.845 ( -0.000 1.422 0.000) 1.422 4.851 ( 0.000 -0.498 0.000) 0.498 4.974 ( -0.000 0.602 0.000) 0.602 5.027 ( 0.000 -3.007 0.000) 3.007 5.192 ( -0.000 2.740 0.000) 2.740 5.463 ( -0.000 1.308 0.000) 1.308 5.625 ( 0.000 -3.508 0.000) 3.508 5.678 ( 0.000 -0.159 0.000) 0.159 5.879 ( 0.000 -1.957 0.000) 1.957 5.926 ( 0.000 -0.368 0.000) 0.368 5.932 ( -0.000 0.727 0.000) 0.727 5.958 ( -0.000 0.668 0.000) 0.668 5.991 ( -0.000 0.614 0.000) 0.614 6.170 ( -0.000 3.776 0.000) 3.776 6.422 ( 0.000 -1.024 0.000) 1.024 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -7.930 0.000 0.000) 7.930 1.466 ( 0.248 -0.000 0.000) 0.248 1.521 ( -6.655 0.000 0.000) 6.655 1.548 ( -6.261 0.000 0.000) 6.261 1.680 ( -3.152 0.000 0.000) 3.152 1.718 ( -9.431 0.000 0.000) 9.431 1.759 ( -9.193 0.000 0.000) 9.193 1.808 ( 0.651 -0.000 0.000) 0.651 1.901 ( -7.433 0.000 0.000) 7.433 1.957 ( -11.852 0.000 0.000) 11.852 2.053 ( 0.727 -0.000 0.000) 0.727 2.309 ( 1.030 -0.000 0.000) 1.030 2.372 ( -7.277 0.000 0.000) 7.277 2.540 ( -8.713 0.000 0.000) 8.713 2.731 ( -20.778 0.000 0.000) 20.778 2.791 ( -12.281 0.000 0.000) 12.281 2.863 ( 8.838 -0.000 0.000) 8.838 2.890 ( -0.741 0.000 0.000) 0.741 2.922 ( -1.263 0.000 0.000) 1.263 3.002 ( 2.364 -0.000 0.000) 2.364 3.156 ( 5.680 -0.000 0.000) 5.680 3.202 ( 4.353 -0.000 0.000) 4.353 3.979 ( -9.200 0.000 0.000) 9.200 4.015 ( -11.688 0.000 0.000) 11.688 4.153 ( -3.301 0.000 0.000) 3.301 4.219 ( -1.088 0.000 0.000) 1.088 4.309 ( -6.353 0.000 0.000) 6.353 4.356 ( -4.648 0.000 0.000) 4.648 4.501 ( -5.306 0.000 0.000) 5.306 4.510 ( -1.319 0.000 0.000) 1.319 4.536 ( 3.159 -0.000 0.000) 3.159 4.566 ( 9.428 -0.000 0.000) 9.428 4.767 ( 1.384 -0.000 0.000) 1.384 4.808 ( -7.710 0.000 0.000) 7.710 4.853 ( 3.678 -0.000 0.000) 3.678 4.915 ( 0.063 -0.000 0.000) 0.063 4.997 ( -6.980 0.000 0.000) 6.980 5.000 ( -2.999 0.000 0.000) 2.999 5.051 ( 9.036 -0.000 0.000) 9.036 5.423 ( -0.552 0.000 0.000) 0.552 5.438 ( 5.628 -0.000 0.000) 5.628 5.601 ( 2.212 -0.000 0.000) 2.212 5.865 ( 0.685 -0.000 0.000) 0.685 5.873 ( 1.136 -0.000 0.000) 1.136 6.039 ( 1.972 -0.000 0.000) 1.972 6.054 ( 3.584 -0.000 0.000) 3.584 6.077 ( -0.374 0.000 0.000) 0.374 6.142 ( 3.121 -0.000 0.000) 3.121 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.710 2.501 0.000) 7.161 1.331 ( -11.949 -2.398 0.000) 12.187 1.409 ( -0.638 11.967 0.000) 11.984 1.515 ( -2.694 -4.635 0.000) 5.360 1.549 ( -6.405 4.574 0.000) 7.871 1.619 ( -5.532 -3.871 0.000) 6.752 1.673 ( -0.608 -4.483 0.000) 4.524 1.750 ( -10.364 -3.366 0.000) 10.897 1.797 ( -3.987 0.176 0.000) 3.990 1.819 ( -0.418 -1.363 0.000) 1.425 2.060 ( 0.000 0.636 0.000) 0.636 2.079 ( -20.250 -0.635 0.000) 20.260 2.282 ( -14.489 1.956 0.000) 14.621 2.310 ( -21.798 -1.134 0.000) 21.827 2.336 ( -0.082 0.885 0.000) 0.889 2.654 ( -3.225 0.064 0.000) 3.226 2.892 ( 0.537 -0.458 0.000) 0.706 2.900 ( -1.004 -0.153 0.000) 1.015 2.984 ( 4.187 0.042 0.000) 4.187 3.027 ( 0.588 -0.127 0.000) 0.602 3.282 ( 4.095 0.253 0.000) 4.103 3.303 ( 9.051 0.837 0.000) 9.089 3.758 ( -9.712 5.463 0.000) 11.143 3.825 ( -10.475 -5.399 0.000) 11.785 4.098 ( -2.420 -0.273 0.000) 2.436 4.138 ( -11.355 -0.212 0.000) 11.357 4.157 ( -6.969 -0.003 0.000) 6.969 4.253 ( -5.846 -0.321 0.000) 5.855 4.375 ( -6.915 -0.503 0.000) 6.933 4.460 ( -3.806 -0.318 0.000) 3.819 4.572 ( -11.742 1.550 0.000) 11.844 4.595 ( 0.079 -0.578 0.000) 0.584 4.727 ( -11.454 -0.047 0.000) 11.454 4.752 ( 8.251 0.026 0.000) 8.251 4.801 ( 1.812 -0.689 0.000) 1.938 4.921 ( 3.109 -0.294 0.000) 3.123 4.926 ( -0.765 -0.007 0.000) 0.765 5.126 ( 9.179 3.056 0.000) 9.675 5.243 ( 8.994 -3.692 0.000) 9.722 5.447 ( 2.561 0.033 0.000) 2.561 5.551 ( 5.637 -0.416 0.000) 5.652 5.689 ( 6.636 0.188 0.000) 6.639 5.882 ( 1.199 -0.249 0.000) 1.225 5.896 ( 1.107 -0.139 0.000) 1.115 6.035 ( -1.931 0.065 0.000) 1.932 6.052 ( -1.764 0.145 0.000) 1.770 6.127 ( 4.020 0.518 0.000) 4.054 6.241 ( 6.282 -0.597 0.000) 6.310 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -4.212 6.401 0.000) 7.662 1.162 ( -7.460 -8.023 0.000) 10.955 1.344 ( 0.158 15.113 0.000) 15.114 1.412 ( -5.203 4.303 0.000) 6.752 1.464 ( -1.340 1.023 0.000) 1.686 1.534 ( -7.277 -2.111 0.000) 7.577 1.587 ( -7.794 -4.255 0.000) 8.880 1.685 ( -0.865 -3.132 0.000) 3.249 1.723 ( -3.649 2.168 0.000) 4.245 1.760 ( -8.075 -1.593 0.000) 8.231 1.827 ( -3.182 -3.628 0.000) 4.826 1.932 ( -10.712 2.047 0.000) 10.905 1.959 ( -14.744 1.780 0.000) 14.851 2.100 ( -1.422 -4.963 0.000) 5.163 2.342 ( -0.961 1.403 0.000) 1.701 2.640 ( 1.907 -1.604 0.000) 2.492 2.887 ( -0.499 -0.616 0.000) 0.793 2.908 ( 0.906 -0.273 0.000) 0.946 3.025 ( 0.640 0.854 0.000) 1.067 3.054 ( 1.999 -1.220 0.000) 2.341 3.357 ( 4.093 0.795 0.000) 4.170 3.452 ( 6.817 2.825 0.000) 7.379 3.592 ( -5.776 0.939 0.000) 5.852 3.667 ( -7.720 -1.953 0.000) 7.964 3.893 ( -12.749 0.064 0.000) 12.749 3.936 ( -14.024 -1.047 0.000) 14.063 4.075 ( -0.311 -0.578 0.000) 0.657 4.154 ( -4.246 -0.377 0.000) 4.263 4.305 ( -0.959 -2.040 0.000) 2.254 4.343 ( -8.527 0.084 0.000) 8.527 4.378 ( -4.609 -1.103 0.000) 4.739 4.556 ( -6.456 -0.979 0.000) 6.529 4.629 ( 1.439 0.317 0.000) 1.474 4.833 ( 1.262 -0.641 0.000) 1.415 4.842 ( 1.328 0.087 0.000) 1.331 4.961 ( 3.268 -0.589 0.000) 3.321 4.969 ( 1.825 0.328 0.000) 1.854 5.236 ( 4.811 6.618 0.000) 8.182 5.410 ( 4.816 -5.436 0.000) 7.263 5.508 ( 3.394 -1.389 0.000) 3.667 5.643 ( 3.543 -0.106 0.000) 3.545 5.812 ( 5.080 0.196 0.000) 5.084 5.915 ( 0.688 -0.199 0.000) 0.717 5.917 ( 2.333 -0.013 0.000) 2.333 5.985 ( -2.362 1.036 0.000) 2.579 6.021 ( -1.474 -0.498 0.000) 1.555 6.190 ( 2.842 1.597 0.000) 3.260 6.358 ( 4.935 -0.544 0.000) 4.965 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.000 9.090 0.000) 9.090 1.153 ( 0.000 -11.561 0.000) 11.561 1.242 ( -0.000 12.736 0.000) 12.736 1.333 ( -0.000 3.054 0.000) 3.054 1.452 ( -0.000 2.234 0.000) 2.234 1.466 ( -0.000 0.118 0.000) 0.118 1.530 ( -0.000 6.074 0.000) 6.074 1.628 ( -0.000 6.370 0.000) 6.370 1.653 ( -0.000 0.075 0.000) 0.075 1.695 ( 0.000 -1.415 0.000) 1.415 1.791 ( 0.000 -4.858 0.000) 4.858 1.846 ( 0.000 -2.534 0.000) 2.534 1.846 ( 0.000 -2.531 0.000) 2.531 2.120 ( 0.000 -5.091 0.000) 5.091 2.307 ( -0.000 1.272 0.000) 1.272 2.698 ( 0.000 -3.920 0.000) 3.920 2.888 ( 0.000 -0.993 0.000) 0.993 2.922 ( 0.000 -0.490 0.000) 0.490 3.027 ( -0.000 0.621 0.000) 0.621 3.083 ( 0.000 -0.852 0.000) 0.852 3.413 ( 0.000 -0.044 0.000) 0.044 3.502 ( -0.000 4.450 0.000) 4.450 3.517 ( -0.000 1.139 0.000) 1.139 3.592 ( 0.000 -0.277 0.000) 0.277 3.747 ( -0.000 0.773 0.000) 0.773 3.774 ( 0.000 -0.898 0.000) 0.898 4.080 ( 0.000 -1.212 0.000) 1.212 4.112 ( 0.000 -0.494 0.000) 0.494 4.263 ( 0.000 -0.818 0.000) 0.818 4.323 ( 0.000 -1.006 0.000) 1.006 4.334 ( 0.000 -4.230 0.000) 4.230 4.498 ( 0.000 -1.728 0.000) 1.728 4.641 ( -0.000 0.542 0.000) 0.542 4.845 ( 0.000 -0.564 0.000) 0.564 4.854 ( -0.000 0.166 0.000) 0.166 4.984 ( -0.000 0.829 0.000) 0.829 5.002 ( 0.000 -1.244 0.000) 1.244 5.243 ( -0.000 6.339 0.000) 6.339 5.468 ( 0.000 -0.995 0.000) 0.995 5.572 ( 0.000 -5.270 0.000) 5.270 5.678 ( -0.000 0.129 0.000) 0.129 5.862 ( 0.000 -1.069 0.000) 1.069 5.923 ( 0.000 -0.246 0.000) 0.246 5.939 ( -0.000 0.507 0.000) 0.507 5.965 ( -0.000 0.470 0.000) 0.470 6.001 ( -0.000 1.000 0.000) 1.000 6.207 ( -0.000 2.642 0.000) 2.642 6.412 ( 0.000 -0.727 0.000) 0.727 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -3.512 0.000 0.000) 3.512 1.109 ( -9.033 0.000 0.000) 9.033 1.437 ( -6.477 0.000 0.000) 6.477 1.447 ( 2.571 -0.000 0.000) 2.571 1.498 ( -9.868 0.000 0.000) 9.868 1.517 ( -3.318 0.000 0.000) 3.318 1.523 ( -2.624 0.000 0.000) 2.624 1.666 ( 0.708 -0.000 0.000) 0.708 1.735 ( -2.761 0.000 0.000) 2.761 1.750 ( -10.970 0.000 0.000) 10.970 1.804 ( -1.202 0.000 0.000) 1.202 1.951 ( -13.312 0.000 0.000) 13.312 1.968 ( -16.087 0.000 0.000) 16.087 2.067 ( 0.362 -0.000 0.000) 0.362 2.355 ( 1.035 -0.000 0.000) 1.035 2.629 ( -0.062 0.000 0.000) 0.062 2.884 ( -0.585 0.000 0.000) 0.585 2.907 ( 0.873 -0.000 0.000) 0.873 3.031 ( 0.097 -0.000 0.000) 0.097 3.046 ( 2.578 -0.000 0.000) 2.578 3.361 ( 4.051 -0.000 0.000) 4.051 3.469 ( 7.072 -0.000 0.000) 7.072 3.601 ( -7.313 0.000 0.000) 7.313 3.652 ( -5.935 0.000 0.000) 5.935 3.894 ( -12.513 0.000 0.000) 12.513 3.930 ( -13.976 0.000 0.000) 13.976 4.073 ( -0.028 0.000 0.000) 0.028 4.151 ( -4.205 0.000 0.000) 4.205 4.293 ( -1.536 0.000 0.000) 1.536 4.343 ( -8.893 0.000 0.000) 8.893 4.371 ( -4.765 0.000 0.000) 4.765 4.550 ( -6.644 0.000 0.000) 6.644 4.630 ( 1.348 -0.000 0.000) 1.348 4.828 ( 1.104 -0.000 0.000) 1.104 4.843 ( 1.458 -0.000 0.000) 1.458 4.958 ( 3.286 -0.000 0.000) 3.286 4.971 ( 1.952 -0.000 0.000) 1.952 5.298 ( 6.499 -0.000 0.000) 6.499 5.353 ( 4.119 -0.000 0.000) 4.119 5.501 ( 2.606 -0.000 0.000) 2.606 5.643 ( 3.693 -0.000 0.000) 3.693 5.813 ( 4.688 -0.000 0.000) 4.688 5.914 ( 0.705 -0.000 0.000) 0.705 5.917 ( 2.454 -0.000 0.000) 2.454 5.992 ( -2.152 0.000 0.000) 2.152 6.017 ( -1.328 0.000 0.000) 1.328 6.199 ( 2.982 -0.000 0.000) 2.982 6.355 ( 4.997 -0.000 0.000) 4.997 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.000 4.809 0.000) 4.809 1.039 ( 0.000 -7.054 0.000) 7.054 1.332 ( -0.000 3.387 0.000) 3.387 1.356 ( -0.000 0.969 0.000) 0.969 1.486 ( -0.000 2.621 0.000) 2.621 1.491 ( -0.000 4.646 0.000) 4.646 1.541 ( 0.000 -3.113 0.000) 3.113 1.653 ( 0.000 -0.147 0.000) 0.147 1.685 ( 0.000 -0.414 0.000) 0.414 1.688 ( -0.000 3.026 0.000) 3.026 1.741 ( 0.000 -3.142 0.000) 3.142 1.824 ( 0.000 -1.088 0.000) 1.088 1.829 ( 0.000 -0.629 0.000) 0.629 2.078 ( 0.000 -2.134 0.000) 2.134 2.353 ( -0.000 4.451 0.000) 4.451 2.646 ( 0.000 -4.028 0.000) 4.028 2.879 ( 0.000 -0.420 0.000) 0.420 2.917 ( 0.000 -0.271 0.000) 0.271 3.031 ( -0.000 0.215 0.000) 0.215 3.076 ( 0.000 -0.367 0.000) 0.367 3.413 ( -0.000 0.036 0.000) 0.036 3.526 ( -0.000 0.444 0.000) 0.444 3.538 ( -0.000 1.749 0.000) 1.749 3.590 ( 0.000 -0.091 0.000) 0.091 3.753 ( -0.000 0.277 0.000) 0.277 3.767 ( 0.000 -0.363 0.000) 0.363 4.079 ( -0.000 0.377 0.000) 0.377 4.109 ( 0.000 -0.132 0.000) 0.132 4.257 ( 0.000 -0.342 0.000) 0.342 4.292 ( 0.000 -2.446 0.000) 2.446 4.316 ( 0.000 -0.326 0.000) 0.326 4.484 ( 0.000 -0.664 0.000) 0.664 4.643 ( 0.000 -0.002 0.000) 0.002 4.840 ( 0.000 -0.288 0.000) 0.288 4.853 ( 0.000 -0.170 0.000) 0.170 4.990 ( -0.000 0.260 0.000) 0.260 4.996 ( 0.000 -0.153 0.000) 0.153 5.327 ( -0.000 8.160 0.000) 8.160 5.424 ( 0.000 -6.723 0.000) 6.723 5.533 ( 0.000 -1.344 0.000) 1.344 5.679 ( -0.000 0.091 0.000) 0.091 5.854 ( 0.000 -0.346 0.000) 0.346 5.921 ( 0.000 -0.086 0.000) 0.086 5.943 ( -0.000 0.181 0.000) 0.181 5.968 ( -0.000 0.169 0.000) 0.169 6.010 ( -0.000 0.464 0.000) 0.464 6.227 ( -0.000 0.949 0.000) 0.949 6.407 ( 0.000 -0.265 0.000) 0.265 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 0.000 14.177) 14.177 0.363 ( 0.000 0.000 19.897) 19.897 0.622 ( 0.000 0.000 12.234) 12.234 0.728 ( 0.000 0.000 17.907) 17.907 0.965 ( 0.000 0.000 -12.358) 12.358 1.544 ( 0.000 0.000 5.636) 5.636 1.712 ( 0.000 0.000 -3.121) 3.121 1.747 ( 0.000 0.000 -17.421) 17.421 1.827 ( 0.000 0.000 1.481) 1.481 1.871 ( 0.000 0.000 -0.727) 0.727 1.933 ( 0.000 0.000 -1.837) 1.837 1.990 ( 0.000 0.000 -5.505) 5.505 2.065 ( 0.000 0.000 7.631) 7.631 2.243 ( 0.000 0.000 3.961) 3.961 2.621 ( 0.000 0.000 6.493) 6.493 2.723 ( 0.000 0.000 -10.829) 10.829 2.801 ( 0.000 0.000 -7.721) 7.721 2.927 ( 0.000 0.000 -6.718) 6.718 3.096 ( 0.000 0.000 6.006) 6.006 3.258 ( 0.000 0.000 -1.403) 1.403 3.278 ( 0.000 0.000 8.158) 8.158 3.348 ( 0.000 0.000 3.764) 3.764 3.476 ( 0.000 0.000 1.731) 1.731 3.576 ( 0.000 0.000 -3.208) 3.208 3.733 ( 0.000 0.000 2.641) 2.641 3.804 ( 0.000 0.000 -1.046) 1.046 4.135 ( 0.000 0.000 3.362) 3.362 4.177 ( 0.000 0.000 1.007) 1.007 4.251 ( 0.000 0.000 -2.877) 2.877 4.316 ( 0.000 0.000 -4.763) 4.763 4.446 ( 0.000 0.000 3.820) 3.820 4.565 ( 0.000 0.000 -2.054) 2.054 4.627 ( 0.000 0.000 3.569) 3.569 4.765 ( 0.000 0.000 -2.469) 2.469 4.827 ( 0.000 0.000 2.220) 2.220 4.970 ( 0.000 0.000 -5.503) 5.503 5.169 ( 0.000 0.000 2.144) 2.144 5.194 ( 0.000 0.000 -0.042) 0.042 5.463 ( 0.000 0.000 2.150) 2.150 5.571 ( 0.000 0.000 -2.411) 2.411 5.748 ( 0.000 0.000 4.043) 4.043 5.893 ( 0.000 0.000 -2.636) 2.636 5.911 ( 0.000 0.000 0.443) 0.443 5.931 ( 0.000 0.000 -0.443) 0.443 5.941 ( 0.000 0.000 -0.053) 0.053 5.951 ( 0.000 0.000 -0.436) 0.436 6.325 ( 0.000 0.000 1.487) 1.487 6.388 ( 0.000 0.000 -1.311) 1.311 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 20.577 -1.686 6.191) 21.554 0.631 ( 12.089 -3.017 16.886) 20.985 0.793 ( 14.552 -4.932 -2.672) 15.596 1.005 ( 27.847 -6.524 18.025) 33.807 1.135 ( 13.903 -2.009 -9.706) 17.074 1.581 ( 2.462 1.038 -0.600) 2.738 1.737 ( 4.721 4.472 -3.276) 7.281 1.826 ( 7.692 1.594 -5.484) 9.580 1.854 ( 5.028 -0.528 -1.074) 5.168 1.874 ( 0.982 0.376 -0.777) 1.308 2.006 ( 6.144 1.124 -1.877) 6.522 2.052 ( -0.741 0.378 9.033) 9.071 2.066 ( 4.900 -4.355 -7.625) 10.056 2.223 ( 1.278 0.970 6.152) 6.358 2.597 ( 0.963 6.649 2.652) 7.223 2.725 ( -0.798 -2.174 -10.566) 10.817 2.788 ( -0.349 4.207 -7.350) 8.476 2.839 ( -3.667 -2.530 -4.911) 6.631 3.033 ( -5.599 -0.322 6.223) 8.377 3.194 ( -4.997 2.242 -1.277) 5.624 3.257 ( -1.230 -2.687 8.190) 8.707 3.331 ( -1.312 -0.541 5.328) 5.514 3.655 ( 6.323 0.149 -0.427) 6.339 3.680 ( 9.280 0.363 -2.023) 9.504 3.908 ( 16.409 -0.028 2.131) 16.546 4.076 ( 10.372 4.120 -6.268) 12.800 4.143 ( 0.878 -4.974 -1.027) 5.154 4.223 ( 4.370 -0.220 1.647) 4.676 4.278 ( 3.061 1.917 -6.683) 7.597 4.327 ( 2.714 0.449 -1.080) 2.955 4.428 ( -0.081 -0.503 -0.959) 1.086 4.535 ( -2.534 -0.912 -2.333) 3.563 4.693 ( 5.427 2.003 -0.039) 5.785 4.785 ( 0.868 -1.652 -2.271) 2.939 4.810 ( -1.661 -0.084 1.978) 2.584 4.954 ( -1.353 0.505 -5.565) 5.750 5.123 ( -3.930 1.655 2.426) 4.906 5.163 ( -3.275 0.511 -0.083) 3.315 5.452 ( -0.673 0.117 2.199) 2.302 5.543 ( -4.396 -0.264 -0.350) 4.418 5.724 ( -1.868 0.523 3.537) 4.033 5.758 ( -3.046 -1.764 5.022) 6.133 5.931 ( -0.142 0.310 -0.729) 0.805 5.935 ( -0.950 -0.118 -0.521) 1.090 5.974 ( 2.897 0.024 0.355) 2.919 6.004 ( 1.579 -0.665 -1.735) 2.439 6.250 ( -4.343 5.693 3.020) 7.771 6.305 ( -5.269 -3.820 -0.314) 6.516 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 12.161 -2.370 10.370) 16.156 0.944 ( 20.589 0.285 1.749) 20.665 1.134 ( 17.512 -4.265 -0.653) 18.036 1.395 ( 10.797 -1.827 -8.464) 13.840 1.581 ( 22.326 -3.544 2.332) 22.725 1.635 ( 4.924 0.081 -1.870) 5.268 1.833 ( 6.786 1.534 3.047) 7.595 1.893 ( 4.246 1.284 0.705) 4.491 1.937 ( 5.874 0.720 -0.942) 5.992 2.026 ( 0.093 0.307 7.812) 7.818 2.093 ( 12.491 -0.005 1.636) 12.598 2.104 ( 2.460 -0.303 1.727) 3.021 2.178 ( 9.331 2.226 -5.862) 11.242 2.331 ( 7.653 -0.861 2.142) 7.993 2.620 ( 5.132 6.820 -3.592) 9.260 2.700 ( -1.738 1.290 -8.738) 9.002 2.758 ( -1.289 -0.576 -3.074) 3.382 2.831 ( 2.278 0.142 -7.539) 7.877 2.941 ( -3.699 -1.943 2.792) 5.026 3.052 ( -8.231 0.779 -2.230) 8.563 3.260 ( 0.315 -0.817 8.828) 8.871 3.319 ( -0.200 -0.523 5.769) 5.796 3.788 ( 7.522 0.490 1.153) 7.626 3.835 ( 7.705 1.362 -1.054) 7.895 4.092 ( -1.637 0.224 -0.182) 1.662 4.143 ( -1.948 -2.908 -2.467) 4.282 4.211 ( 8.432 0.336 1.969) 8.665 4.312 ( 2.153 1.747 -1.091) 2.980 4.338 ( 3.334 0.420 2.057) 3.940 4.387 ( 7.538 -3.333 2.613) 8.646 4.485 ( 0.464 -1.005 -3.448) 3.621 4.542 ( 5.101 -2.190 -4.137) 6.923 4.756 ( 1.262 2.515 -0.857) 2.941 4.770 ( -2.262 0.012 1.243) 2.581 4.810 ( 2.035 -1.183 -3.506) 4.223 4.916 ( -2.282 0.988 -3.635) 4.404 5.024 ( -4.721 1.088 1.894) 5.202 5.078 ( -4.512 1.417 -0.057) 4.730 5.436 ( -4.425 0.099 3.060) 5.381 5.450 ( -0.296 -0.735 1.268) 1.496 5.685 ( -1.791 1.545 3.402) 4.144 5.765 ( 0.884 2.034 0.468) 2.267 5.919 ( 0.286 0.256 0.236) 0.451 5.933 ( 0.365 1.093 -0.618) 1.308 6.003 ( -1.180 -1.487 -0.463) 1.955 6.021 ( 0.731 -0.318 -0.617) 1.008 6.158 ( -2.258 3.760 1.599) 4.668 6.239 ( -3.199 -2.055 -2.086) 4.337 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 11.831 -1.665 4.652) 12.821 1.290 ( 15.587 2.369 -2.971) 16.043 1.478 ( 15.846 -1.805 -0.255) 15.951 1.580 ( 8.714 -1.647 -5.885) 10.643 1.739 ( 5.611 -1.241 -0.298) 5.754 1.799 ( 4.086 -0.744 -3.482) 5.420 1.909 ( 1.438 1.530 0.936) 2.298 1.981 ( 3.653 3.140 -0.549) 4.848 2.039 ( 4.740 2.085 4.883) 7.118 2.110 ( 4.916 -0.318 9.706) 10.885 2.192 ( 7.936 1.801 2.434) 8.494 2.254 ( 6.768 -1.233 -1.196) 6.983 2.388 ( 8.437 2.851 -1.409) 9.017 2.447 ( 4.811 0.713 3.474) 5.977 2.653 ( -0.366 1.008 -4.852) 4.969 2.701 ( 0.869 -1.657 -3.356) 3.842 2.742 ( 1.099 0.915 -7.316) 7.455 2.882 ( 0.961 0.465 -2.720) 2.922 2.883 ( -2.997 0.330 -0.769) 3.111 3.016 ( 8.130 0.171 -4.791) 9.438 3.273 ( 0.672 -0.106 8.646) 8.673 3.325 ( 0.622 0.379 5.352) 5.402 3.914 ( 5.735 2.203 1.703) 6.375 3.968 ( 5.512 -0.115 -0.411) 5.529 4.050 ( -0.481 -2.865 -1.054) 3.091 4.101 ( -3.812 -4.168 -2.529) 6.189 4.299 ( 0.732 -0.994 2.473) 2.764 4.337 ( 1.660 -1.928 2.635) 3.663 4.375 ( 2.746 0.486 -1.480) 3.157 4.466 ( -1.591 -3.612 -2.934) 4.918 4.585 ( 3.685 0.814 2.078) 4.308 4.634 ( 3.656 -1.677 -0.266) 4.031 4.717 ( -3.534 -0.206 -2.047) 4.089 4.747 ( 1.098 2.211 -0.298) 2.486 4.870 ( -0.508 0.022 2.423) 2.476 4.885 ( 3.915 -1.127 -1.841) 4.471 4.959 ( -1.446 1.051 -2.236) 2.863 4.996 ( -2.895 0.385 -0.814) 3.031 5.377 ( -0.636 2.042 4.524) 5.004 5.476 ( 2.312 0.223 -0.743) 2.438 5.633 ( -2.477 2.878 3.559) 5.205 5.728 ( -2.302 3.833 -0.653) 4.519 5.918 ( -0.829 2.173 -0.757) 2.447 5.928 ( -0.436 2.359 -0.557) 2.462 5.994 ( -0.561 -1.581 -0.431) 1.732 6.008 ( -1.133 -1.175 -0.844) 1.838 6.131 ( 0.200 2.048 1.206) 2.385 6.197 ( -2.269 -0.556 -1.795) 2.946 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 10.382 -0.978 0.817) 10.460 1.496 ( 7.733 1.976 -7.756) 11.129 1.726 ( 9.640 1.804 2.139) 10.038 1.766 ( 8.134 -0.653 -0.340) 8.167 1.806 ( 1.098 -0.672 0.887) 1.563 1.841 ( -0.586 -1.873 -2.863) 3.471 1.975 ( 6.579 -0.506 0.020) 6.598 2.026 ( 4.542 2.830 -2.459) 5.889 2.142 ( 2.567 4.252 3.688) 6.186 2.149 ( 4.884 -0.592 7.541) 9.004 2.244 ( -0.618 7.184 1.772) 7.426 2.378 ( 3.081 -0.995 -3.239) 4.580 2.442 ( 3.658 5.425 0.625) 6.573 2.512 ( 3.001 -0.416 5.638) 6.400 2.564 ( -5.057 -3.247 3.763) 7.091 2.737 ( -0.156 -0.523 -10.317) 10.331 2.783 ( 1.437 -0.280 -8.820) 8.941 2.851 ( -0.448 0.392 -8.027) 8.049 2.984 ( 7.669 -2.095 5.940) 9.924 3.173 ( 6.188 1.423 -3.748) 7.373 3.278 ( -0.381 0.672 9.099) 9.132 3.339 ( 1.425 1.941 4.418) 5.032 3.957 ( -1.538 -3.566 1.115) 4.040 3.997 ( -3.111 -3.612 -0.241) 4.773 4.079 ( 3.476 -2.852 0.069) 4.497 4.174 ( 6.567 -1.900 -3.834) 7.838 4.299 ( -0.122 -3.330 3.725) 4.998 4.386 ( 1.689 -1.815 0.647) 2.563 4.434 ( 3.497 -0.380 -1.596) 3.863 4.464 ( 0.923 -1.201 -1.630) 2.225 4.551 ( -2.565 1.885 1.883) 3.698 4.656 ( -1.494 0.654 -3.946) 4.270 4.702 ( 2.080 2.612 1.846) 3.815 4.764 ( 1.456 1.242 0.523) 1.983 4.882 ( 0.704 -0.639 1.973) 2.190 4.945 ( 0.981 0.211 -2.041) 2.274 4.962 ( 0.297 -2.050 -0.564) 2.147 4.988 ( 2.509 -2.032 -1.181) 3.438 5.366 ( 0.069 3.967 5.054) 6.425 5.506 ( -0.797 2.670 -1.356) 3.099 5.576 ( 0.314 2.326 3.108) 3.894 5.672 ( -0.743 2.480 -1.323) 2.907 5.873 ( -2.279 1.592 -0.646) 2.854 5.893 ( -1.454 1.401 -1.044) 2.273 5.983 ( -1.332 -0.125 -0.417) 1.401 5.995 ( -1.338 0.275 -0.757) 1.562 6.114 ( -1.236 1.311 0.742) 1.949 6.152 ( -2.497 0.667 -1.010) 2.775 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 7.860 -0.281 -1.654) 8.037 1.596 ( 4.169 0.395 -6.327) 7.587 1.751 ( -2.237 0.760 1.220) 2.659 1.786 ( -2.900 0.488 -1.454) 3.280 1.895 ( 5.285 0.756 1.361) 5.509 1.912 ( 5.262 0.651 1.764) 5.588 2.046 ( 0.255 5.092 2.242) 5.570 2.096 ( -0.378 4.157 -0.889) 4.267 2.133 ( -0.229 1.471 0.534) 1.581 2.169 ( 2.155 -1.312 -2.562) 3.596 2.318 ( 9.527 0.339 3.792) 10.260 2.396 ( 2.122 0.056 2.898) 3.593 2.458 ( -0.442 1.230 3.000) 3.272 2.515 ( 0.118 -0.418 5.722) 5.738 2.660 ( 6.536 -2.455 -1.289) 7.099 2.704 ( -2.001 -0.500 -4.241) 4.716 2.793 ( 0.545 1.385 -11.444) 11.541 2.852 ( 0.660 0.654 -9.693) 9.737 3.105 ( 3.171 -1.584 4.123) 5.437 3.222 ( 0.677 1.175 0.614) 1.488 3.250 ( -1.420 1.447 9.036) 9.261 3.331 ( -1.857 2.102 1.773) 3.319 3.904 ( -6.445 -5.163 0.281) 8.263 3.922 ( -5.787 -4.523 -0.466) 7.359 4.202 ( 4.819 -0.946 0.447) 4.931 4.239 ( 0.966 -0.472 -0.347) 1.130 4.408 ( 8.548 -5.461 1.316) 10.229 4.445 ( 4.059 -1.567 0.088) 4.352 4.492 ( 2.408 1.415 0.191) 2.800 4.505 ( 1.094 1.207 0.414) 1.681 4.551 ( 5.272 -0.374 -0.770) 5.341 4.657 ( 1.520 0.085 -4.775) 5.012 4.705 ( 0.387 2.870 1.491) 3.257 4.790 ( 1.440 1.264 -0.595) 2.006 4.899 ( 1.063 -0.536 0.937) 1.515 4.958 ( 0.812 0.076 -1.083) 1.355 4.969 ( -1.147 -1.752 1.735) 2.719 5.044 ( 1.097 -2.419 -2.052) 3.356 5.305 ( -3.759 4.421 5.135) 7.748 5.407 ( -5.832 3.325 0.719) 6.752 5.625 ( 4.039 1.378 0.737) 4.331 5.686 ( 2.405 0.355 -1.502) 2.858 5.829 ( -1.580 0.531 -0.204) 1.679 5.862 ( -1.048 0.938 -1.420) 1.999 5.947 ( -2.075 0.502 -0.478) 2.188 5.952 ( -2.382 0.818 -0.430) 2.555 6.069 ( -2.590 1.073 0.451) 2.840 6.091 ( -3.202 1.239 -0.554) 3.478 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 2.349 0.339 -2.119) 3.182 1.668 ( 3.475 0.177 -4.124) 5.396 1.711 ( -1.331 -0.125 -0.331) 1.378 1.730 ( -2.212 0.130 -1.652) 2.764 1.941 ( 0.194 2.636 5.449) 6.056 1.972 ( 1.647 0.176 1.252) 2.076 2.006 ( -0.086 1.236 -0.499) 1.336 2.039 ( -1.926 1.180 -0.387) 2.292 2.141 ( 0.948 -0.842 -0.572) 1.391 2.232 ( 1.643 -0.259 -3.949) 4.285 2.385 ( -1.292 0.864 5.984) 6.182 2.472 ( 0.694 2.031 2.031) 2.955 2.493 ( 6.751 0.375 1.753) 6.985 2.549 ( 2.852 -2.314 3.325) 4.954 2.642 ( -3.918 -1.700 3.163) 5.314 2.763 ( 1.347 -1.103 -8.158) 8.341 2.820 ( 2.467 0.633 -7.375) 7.802 2.864 ( 0.695 0.519 -9.700) 9.739 3.131 ( 0.271 0.941 2.460) 2.647 3.206 ( -1.091 1.226 2.084) 2.652 3.236 ( 0.342 -0.203 6.215) 6.228 3.264 ( -2.629 1.148 3.562) 4.574 3.817 ( -3.718 -2.256 0.621) 4.393 3.846 ( -3.155 -2.143 -0.681) 3.874 4.251 ( 0.645 -0.573 0.121) 0.871 4.256 ( 0.656 -0.009 0.001) 0.656 4.497 ( 0.896 0.970 0.462) 1.399 4.508 ( 0.819 0.001 -0.050) 0.821 4.534 ( 2.367 -0.228 2.538) 3.478 4.625 ( 6.464 -2.587 1.205) 7.065 4.650 ( -0.159 0.777 -0.446) 0.910 4.697 ( 4.952 -0.701 -1.847) 5.331 4.727 ( 2.883 -0.187 -2.799) 4.023 4.804 ( 2.296 1.287 -2.891) 3.910 4.910 ( -2.848 -1.891 2.731) 4.376 4.953 ( 1.234 -0.080 0.137) 1.244 4.972 ( 0.546 0.029 -0.248) 0.601 5.025 ( -4.418 0.307 -3.275) 5.508 5.222 ( -1.226 1.527 5.596) 5.929 5.284 ( -4.473 1.729 1.608) 5.058 5.686 ( 2.197 0.430 0.166) 2.245 5.730 ( 1.645 -0.135 -1.403) 2.166 5.810 ( -0.249 0.007 0.062) 0.257 5.844 ( -0.360 0.456 -1.429) 1.543 5.905 ( -1.496 0.499 0.157) 1.585 5.915 ( -0.984 0.338 -0.426) 1.124 6.019 ( -1.474 0.482 0.079) 1.553 6.030 ( -2.071 0.647 -0.374) 2.202 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 12.681 -0.000 10.919) 16.734 0.947 ( 21.307 -0.000 1.248) 21.343 1.109 ( 18.642 -0.000 -0.516) 18.649 1.384 ( 11.163 -0.000 -9.012) 14.347 1.558 ( 25.524 -0.000 4.447) 25.909 1.635 ( 3.611 -0.000 -1.311) 3.842 1.843 ( 6.851 -0.000 2.846) 7.419 1.902 ( 2.145 -0.000 0.276) 2.163 1.941 ( 6.792 -0.000 -1.601) 6.978 2.027 ( -0.625 0.000 8.746) 8.768 2.094 ( 12.516 -0.000 1.786) 12.642 2.102 ( 2.626 -0.000 0.024) 2.626 2.192 ( 9.574 -0.000 -7.663) 12.263 2.325 ( 8.511 -0.000 3.600) 9.241 2.671 ( 3.903 -0.000 -1.947) 4.362 2.697 ( -1.929 0.000 -12.077) 12.230 2.754 ( -2.505 0.000 -1.636) 2.992 2.833 ( 3.691 -0.000 -8.103) 8.904 2.929 ( -4.131 0.000 3.856) 5.650 3.056 ( -8.578 0.000 -2.475) 8.928 3.255 ( 0.811 -0.000 9.300) 9.336 3.316 ( -0.045 0.000 5.895) 5.896 3.790 ( 7.684 -0.000 1.192) 7.776 3.844 ( 7.686 -0.000 -1.338) 7.802 4.098 ( -0.608 0.000 -0.467) 0.767 4.119 ( -3.817 0.000 -1.641) 4.155 4.214 ( 9.168 -0.000 2.037) 9.392 4.319 ( -0.723 0.000 1.476) 1.643 4.348 ( 1.071 -0.000 -0.795) 1.334 4.366 ( 11.855 -0.000 2.150) 12.048 4.475 ( -2.433 0.000 -2.584) 3.550 4.531 ( 7.271 -0.000 -5.144) 8.907 4.770 ( -2.032 0.000 1.085) 2.303 4.775 ( -1.885 0.000 -1.079) 2.172 4.799 ( 4.524 -0.000 -3.400) 5.660 4.921 ( -2.131 0.000 -3.819) 4.373 5.031 ( -5.216 0.000 2.069) 5.611 5.086 ( -4.604 0.000 -0.061) 4.605 5.437 ( -4.605 0.000 3.523) 5.798 5.444 ( 0.444 -0.000 0.966) 1.063 5.694 ( -1.571 0.000 3.584) 3.913 5.777 ( 1.734 -0.000 0.421) 1.784 5.920 ( 0.563 -0.000 0.276) 0.627 5.941 ( 0.945 -0.000 -0.786) 1.229 5.993 ( -1.722 0.000 -0.097) 1.725 6.019 ( 0.796 -0.000 -0.674) 1.043 6.192 ( -3.706 0.000 0.278) 3.717 6.216 ( -2.077 0.000 -0.983) 2.298 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 12.323 -0.573 5.206) 13.390 1.311 ( 15.933 1.104 -3.530) 16.357 1.463 ( 17.275 -0.718 -0.274) 17.292 1.564 ( 8.638 -0.933 -6.879) 11.082 1.730 ( 5.572 -0.420 0.363) 5.600 1.792 ( 3.543 -0.411 -3.328) 4.878 1.922 ( 0.267 0.639 1.258) 1.437 2.013 ( 2.423 1.983 -2.203) 3.829 2.053 ( 4.027 0.457 8.897) 9.776 2.101 ( 10.587 -0.886 7.575) 13.048 2.208 ( 9.185 0.812 1.698) 9.376 2.241 ( 5.486 -0.738 0.204) 5.539 2.413 ( 10.195 1.381 -2.617) 10.616 2.452 ( 3.791 0.126 3.903) 5.442 2.667 ( -2.130 1.426 -4.318) 5.021 2.684 ( -0.711 -1.475 -4.593) 4.877 2.751 ( 1.503 0.557 -6.217) 6.420 2.885 ( -3.066 0.115 -6.105) 6.833 2.886 ( 0.010 0.189 2.381) 2.389 3.017 ( 9.520 0.049 -5.304) 10.898 3.273 ( 0.865 -0.021 8.974) 9.016 3.328 ( 1.191 0.133 5.304) 5.438 3.935 ( 6.220 1.418 1.180) 6.488 3.970 ( 5.788 -0.050 -0.612) 5.821 4.022 ( -4.897 -1.605 -0.010) 5.153 4.067 ( -2.428 -1.528 -1.968) 3.479 4.287 ( -1.669 -0.807 3.086) 3.600 4.324 ( 3.530 -0.440 1.573) 3.890 4.388 ( 2.659 1.435 -1.880) 3.559 4.428 ( -1.444 -2.681 -3.145) 4.378 4.597 ( 4.307 1.348 1.207) 4.671 4.615 ( 4.698 -1.750 0.369) 5.027 4.717 ( -3.488 -0.003 -1.682) 3.872 4.765 ( 2.137 0.936 -0.277) 2.350 4.869 ( -2.534 -0.108 3.503) 4.325 4.877 ( 3.602 -0.336 -2.686) 4.506 4.967 ( -1.158 0.398 -2.325) 2.628 4.999 ( -3.943 0.135 -0.806) 4.027 5.392 ( -0.106 0.668 4.018) 4.075 5.477 ( 2.835 0.015 -0.774) 2.938 5.655 ( -2.457 1.017 3.985) 4.791 5.757 ( -2.729 1.264 -0.416) 3.036 5.941 ( -1.030 1.660 -0.914) 2.157 5.956 ( 0.362 2.178 -0.793) 2.346 5.976 ( 0.632 -1.354 -0.144) 1.501 5.991 ( -1.931 -1.558 -0.973) 2.665 6.155 ( -0.223 2.050 0.317) 2.086 6.184 ( -1.971 -1.517 -1.050) 2.700 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 10.726 -0.568 1.140) 10.801 1.514 ( 6.704 1.178 -8.882) 11.190 1.741 ( 11.165 0.963 0.931) 11.245 1.758 ( 9.619 -0.651 -0.193) 9.643 1.799 ( 0.935 -0.472 0.983) 1.436 1.823 ( -0.716 -1.237 -1.692) 2.215 1.970 ( 6.227 -0.339 0.174) 6.239 2.050 ( 4.258 1.491 -3.604) 5.774 2.145 ( 4.910 -0.287 8.948) 10.211 2.181 ( 0.798 2.495 3.220) 4.151 2.311 ( 1.899 4.119 -0.918) 4.627 2.372 ( 4.916 0.086 -0.303) 4.926 2.490 ( 0.994 1.620 4.160) 4.573 2.517 ( 3.758 2.146 2.627) 5.063 2.536 ( -6.256 -1.400 3.526) 7.316 2.724 ( -0.160 -1.614 -6.809) 6.999 2.786 ( 2.068 0.494 -12.029) 12.215 2.856 ( -0.130 0.309 -7.868) 7.875 2.962 ( 6.564 -1.579 6.859) 9.624 3.185 ( 5.994 0.763 -4.654) 7.627 3.283 ( 0.044 0.299 9.153) 9.158 3.356 ( 1.742 1.090 3.704) 4.236 3.927 ( -3.128 -1.607 0.601) 3.568 3.953 ( -5.527 -3.666 -0.534) 6.654 4.064 ( 5.410 -0.319 0.928) 5.498 4.156 ( 7.743 -1.304 -3.150) 8.460 4.268 ( -0.613 -1.925 3.144) 3.737 4.369 ( 0.921 -1.234 -0.402) 1.591 4.428 ( 2.887 -0.631 -1.111) 3.158 4.456 ( 3.026 -0.253 -1.231) 3.277 4.570 ( -1.992 1.357 1.375) 2.775 4.663 ( -1.253 0.462 -3.413) 3.665 4.716 ( 2.765 0.260 2.394) 3.666 4.791 ( 1.292 3.250 0.957) 3.626 4.866 ( 0.911 -2.227 2.836) 3.719 4.937 ( 0.822 -1.256 -1.872) 2.400 4.953 ( 0.454 0.246 -1.778) 1.851 4.971 ( 1.141 -1.038 -1.684) 2.284 5.399 ( 0.460 1.967 4.589) 5.014 5.527 ( 0.616 1.205 -1.480) 2.006 5.598 ( -0.995 1.396 3.541) 3.934 5.694 ( -2.201 1.343 -0.894) 2.729 5.892 ( -2.980 1.634 -1.045) 3.556 5.906 ( -1.985 0.774 -1.322) 2.508 5.981 ( -0.693 -0.136 -0.208) 0.736 5.996 ( -0.740 0.010 -0.704) 1.021 6.127 ( -1.740 1.082 0.469) 2.102 6.156 ( -1.871 -0.046 -0.772) 2.025 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 8.342 -0.234 -1.658) 8.508 1.600 ( 3.464 0.220 -7.069) 7.876 1.758 ( -2.392 0.517 0.774) 2.566 1.784 ( -3.116 -0.681 -1.427) 3.494 1.904 ( 5.835 0.700 1.020) 5.965 1.919 ( 5.830 0.660 2.161) 6.252 2.081 ( 3.531 2.178 1.436) 4.390 2.143 ( -3.588 2.328 0.455) 4.301 2.148 ( 4.353 -0.576 -0.500) 4.419 2.187 ( -1.841 6.211 -3.591) 7.406 2.326 ( 7.754 1.629 4.622) 9.173 2.396 ( 1.922 -0.427 4.591) 4.995 2.454 ( -2.038 -0.760 6.010) 6.392 2.530 ( 1.498 2.082 2.522) 3.597 2.612 ( 2.307 -5.920 -1.252) 6.476 2.699 ( -1.479 -0.530 -2.638) 3.071 2.806 ( 0.557 0.841 -12.858) 12.897 2.859 ( 0.556 0.496 -9.098) 9.128 3.090 ( 5.398 -0.922 4.643) 7.179 3.235 ( 0.701 1.096 -0.232) 1.321 3.265 ( -1.256 1.225 8.850) 9.023 3.350 ( -2.278 1.210 1.234) 2.859 3.851 ( -5.544 -3.879 0.680) 6.801 3.880 ( -4.666 -2.950 -0.614) 5.555 4.197 ( 5.981 0.055 0.407) 5.995 4.240 ( 1.682 0.732 -0.031) 1.835 4.346 ( 7.444 -5.239 1.548) 9.233 4.426 ( 4.687 -1.655 -1.045) 5.079 4.503 ( 3.583 0.669 -0.432) 3.670 4.520 ( 2.383 0.984 -0.469) 2.620 4.547 ( 2.465 -0.047 0.587) 2.534 4.660 ( 1.036 0.406 -4.645) 4.776 4.735 ( 0.056 2.355 2.260) 3.264 4.805 ( 1.746 1.570 1.024) 2.561 4.887 ( 0.132 -1.656 1.322) 2.123 4.949 ( 0.244 -1.316 -0.667) 1.496 4.961 ( 0.282 0.245 -0.408) 0.553 5.019 ( 1.746 -1.904 -2.502) 3.597 5.348 ( -4.411 3.081 5.112) 7.422 5.438 ( -6.486 2.137 1.335) 6.958 5.641 ( 3.747 1.347 0.246) 3.989 5.686 ( 1.626 -0.223 -1.279) 2.080 5.836 ( -2.003 0.700 -0.298) 2.142 5.871 ( -1.321 0.616 -1.620) 2.179 5.952 ( -1.952 0.442 -0.379) 2.037 5.960 ( -2.387 0.508 -0.496) 2.491 6.079 ( -2.821 0.694 0.504) 2.948 6.104 ( -3.237 0.890 -0.597) 3.410 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.463 0.865 -2.880) 3.887 1.667 ( 4.038 -0.268 -4.423) 5.995 1.711 ( -1.876 0.039 -0.076) 1.878 1.730 ( -2.401 -0.238 -1.604) 2.897 1.974 ( 1.983 1.289 1.333) 2.715 1.977 ( 0.570 1.639 3.868) 4.239 2.030 ( -4.393 3.219 0.427) 5.463 2.057 ( -3.162 2.573 0.360) 4.092 2.138 ( 2.073 0.350 -0.256) 2.118 2.234 ( 2.343 0.659 -2.406) 3.422 2.396 ( -1.794 0.996 6.241) 6.570 2.494 ( -2.423 1.610 1.485) 3.267 2.497 ( 7.574 0.429 1.161) 7.674 2.518 ( 5.569 -2.875 3.083) 6.985 2.618 ( -3.490 -2.392 1.367) 4.447 2.720 ( 0.590 -7.357 -1.567) 7.545 2.807 ( -0.624 -0.963 -12.214) 12.267 2.864 ( -0.224 -0.402 -9.632) 9.643 3.162 ( 2.175 3.578 1.967) 4.626 3.222 ( -1.393 1.522 1.867) 2.783 3.236 ( -0.566 0.274 7.177) 7.205 3.277 ( -3.207 1.086 3.019) 4.536 3.797 ( -0.954 -1.226 0.655) 1.686 3.827 ( -0.910 -1.384 -0.644) 1.777 4.250 ( 1.327 0.329 0.310) 1.402 4.267 ( 1.488 1.904 -0.274) 2.432 4.498 ( 0.457 -0.745 0.497) 1.006 4.504 ( 1.819 -0.835 0.079) 2.003 4.535 ( 1.604 0.359 2.228) 2.769 4.596 ( 7.842 -2.332 1.412) 8.302 4.650 ( 1.787 -1.191 -2.476) 3.278 4.687 ( 3.590 -0.542 -1.450) 3.910 4.727 ( 0.668 0.315 -1.444) 1.622 4.818 ( 0.828 1.124 -2.415) 2.789 4.890 ( -1.310 -1.678 3.013) 3.689 4.953 ( 0.856 0.188 0.031) 0.877 4.972 ( 0.638 -0.103 -0.172) 0.668 5.027 ( -2.370 0.116 -4.064) 4.705 5.241 ( -3.383 1.670 5.883) 6.989 5.302 ( -5.790 1.339 1.788) 6.206 5.692 ( 1.679 0.586 -0.056) 1.779 5.728 ( 1.710 -0.321 -1.295) 2.169 5.811 ( -0.418 0.111 0.064) 0.438 5.849 ( -0.703 0.352 -1.475) 1.672 5.912 ( -1.718 0.616 -0.017) 1.825 5.919 ( -1.296 0.354 -0.338) 1.385 6.024 ( -2.019 0.295 0.135) 2.044 6.036 ( -2.821 0.403 -0.391) 2.876 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -2.505 0.033 -1.827) 3.101 1.664 ( -3.346 -0.450 -3.388) 4.783 1.715 ( 0.960 0.482 -0.688) 1.276 1.729 ( 1.746 0.142 -1.812) 2.520 1.925 ( -1.937 -0.317 5.281) 5.634 1.972 ( -1.773 0.170 0.958) 2.022 1.996 ( -2.346 -0.713 -0.119) 2.454 2.028 ( 1.534 -0.863 -0.673) 1.885 2.157 ( 0.140 2.137 -0.329) 2.167 2.240 ( -1.125 1.196 -3.237) 3.630 2.377 ( 0.562 -0.609 5.376) 5.440 2.452 ( -2.800 -1.563 2.440) 4.029 2.490 ( -5.970 -0.041 1.635) 6.190 2.567 ( -1.388 0.793 2.341) 2.835 2.652 ( 4.615 -0.199 3.182) 5.609 2.754 ( -2.108 -5.029 -3.004) 6.226 2.785 ( -2.291 -2.088 -12.206) 12.593 2.852 ( -1.253 -1.528 -9.902) 10.098 3.145 ( -0.691 2.635 2.678) 3.820 3.196 ( 0.255 -0.461 2.423) 2.480 3.240 ( -0.650 0.476 5.383) 5.443 3.252 ( 1.698 -1.065 4.117) 4.579 3.845 ( 5.981 2.534 0.566) 6.520 3.874 ( 5.633 2.677 -0.699) 6.276 4.263 ( 0.437 1.520 0.194) 1.594 4.269 ( -0.176 2.371 -0.111) 2.380 4.480 ( -2.556 -1.946 1.029) 3.373 4.504 ( -1.060 -0.583 -0.287) 1.243 4.538 ( -1.725 0.259 2.365) 2.938 4.638 ( -0.641 -0.930 0.127) 1.136 4.651 ( -4.433 1.629 0.787) 4.788 4.698 ( -2.337 -0.284 -1.464) 2.773 4.726 ( -4.489 -0.724 -3.173) 5.544 4.790 ( -3.134 -1.148 -3.282) 4.681 4.929 ( 4.303 1.381 2.486) 5.158 4.956 ( -2.310 0.623 0.048) 2.393 4.973 ( -0.522 0.222 -0.491) 0.750 5.020 ( 5.500 -0.508 -1.954) 5.859 5.209 ( -0.857 -0.705 4.809) 4.935 5.264 ( 2.822 -1.840 1.550) 3.708 5.682 ( -2.625 -0.209 0.331) 2.654 5.731 ( -1.760 -0.054 -1.373) 2.233 5.810 ( 0.253 0.087 -0.060) 0.274 5.839 ( -0.113 -0.396 -1.420) 1.479 5.901 ( 1.033 -0.230 0.293) 1.098 5.911 ( 0.662 -0.206 -0.437) 0.820 6.013 ( 0.781 -0.700 0.048) 1.050 6.022 ( 1.538 -0.693 -0.358) 1.725 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -7.401 0.265 -1.481) 7.553 1.591 ( -4.852 -0.587 -5.331) 7.232 1.738 ( 0.840 -1.852 1.474) 2.512 1.772 ( 2.180 -1.619 -0.689) 2.801 1.890 ( -3.600 -0.291 1.382) 3.868 1.907 ( -4.701 0.073 -0.176) 4.704 1.977 ( -0.007 -5.916 3.142) 6.698 2.068 ( -0.425 -1.766 -1.128) 2.138 2.130 ( -2.120 0.686 1.621) 2.755 2.185 ( -2.752 1.653 -1.676) 3.621 2.313 ( -9.154 -0.556 3.566) 9.840 2.403 ( -1.340 1.437 0.157) 1.971 2.428 ( -0.864 -3.437 2.398) 4.279 2.528 ( -0.838 0.496 4.862) 4.959 2.667 ( -6.696 -0.646 0.126) 6.728 2.714 ( 1.939 1.071 -6.329) 6.706 2.777 ( 0.655 -1.422 -9.952) 10.074 2.847 ( -0.037 -0.154 -9.099) 9.100 3.121 ( -2.129 1.121 3.533) 4.274 3.210 ( -0.577 -0.864 1.311) 1.673 3.235 ( 0.809 -0.990 8.655) 8.749 3.304 ( 1.281 -2.699 2.637) 3.985 3.956 ( 6.280 4.075 0.389) 7.496 3.982 ( 7.374 5.862 -0.678) 9.445 4.221 ( -3.724 2.562 0.259) 4.528 4.250 ( -0.813 1.477 -0.442) 1.743 4.444 ( -2.228 -1.279 0.571) 2.632 4.461 ( -6.843 1.695 0.248) 7.054 4.485 ( -3.954 0.747 0.978) 4.141 4.502 ( -1.949 1.785 1.383) 2.983 4.554 ( -5.973 0.162 -1.115) 6.078 4.650 ( -0.643 -1.883 -0.956) 2.207 4.684 ( -2.224 -0.117 -2.661) 3.470 4.773 ( -0.729 -1.908 -2.507) 3.234 4.902 ( -2.022 0.199 1.164) 2.341 4.955 ( -1.164 -0.348 -0.722) 1.413 4.988 ( 1.768 1.522 2.871) 3.699 5.072 ( -0.091 2.557 -1.833) 3.148 5.253 ( 2.683 -4.637 5.000) 7.328 5.365 ( 4.898 -4.030 0.033) 6.343 5.611 ( -4.533 -1.152 1.120) 4.809 5.679 ( -3.210 -0.822 -1.533) 3.651 5.825 ( 1.286 -0.163 -0.308) 1.333 5.851 ( 0.796 -0.981 -1.266) 1.789 5.941 ( 2.318 -0.613 -0.387) 2.429 5.942 ( 2.170 -0.783 -0.397) 2.341 6.055 ( 2.412 -1.299 0.434) 2.774 6.077 ( 3.076 -1.264 -0.529) 3.368 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -9.779 1.213 0.383) 9.861 1.472 ( -8.741 -2.087 -6.366) 11.013 1.700 ( -7.559 -2.794 2.949) 8.581 1.770 ( -8.015 -0.079 -0.598) 8.038 1.811 ( 0.439 0.091 0.695) 0.827 1.865 ( 0.192 2.374 -3.674) 4.379 1.975 ( -6.468 -1.147 -0.157) 6.571 1.988 ( -4.692 -3.598 -1.076) 6.010 2.090 ( -4.291 -4.857 3.926) 7.577 2.160 ( -5.286 1.024 6.732) 8.620 2.167 ( 1.109 -5.451 2.688) 6.178 2.361 ( -9.216 -5.129 -1.496) 10.652 2.416 ( 2.401 1.993 -2.899) 4.259 2.515 ( -1.731 -0.034 5.025) 5.315 2.607 ( 3.710 4.411 3.349) 6.665 2.735 ( -0.170 -0.700 -13.242) 13.261 2.793 ( -0.133 1.112 -5.989) 6.093 2.849 ( 0.440 0.151 -7.620) 7.634 3.006 ( -8.509 1.822 4.790) 9.933 3.154 ( -6.812 -1.999 -2.731) 7.606 3.268 ( 0.937 -1.082 9.068) 9.181 3.314 ( -0.726 -2.376 5.393) 5.938 4.003 ( -0.048 4.439 1.421) 4.661 4.028 ( -2.144 2.185 1.070) 3.242 4.129 ( 0.592 5.505 -1.895) 5.852 4.196 ( -5.306 1.982 -4.247) 7.079 4.337 ( -0.813 3.126 3.938) 5.093 4.409 ( -2.625 2.024 1.660) 3.707 4.438 ( -2.915 0.807 -1.962) 3.605 4.478 ( 1.097 1.083 -1.376) 2.066 4.531 ( 2.935 -1.656 2.106) 3.974 4.650 ( 0.957 -0.874 -2.564) 2.873 4.666 ( -1.081 -2.850 -0.136) 3.051 4.756 ( -1.495 -0.657 -1.195) 2.023 4.883 ( -0.336 -0.382 1.148) 1.256 4.939 ( -0.995 -0.801 -1.173) 1.734 4.987 ( -0.551 2.196 0.632) 2.351 5.017 ( -3.525 3.098 -0.883) 4.775 5.311 ( 0.178 -5.635 5.565) 7.922 5.467 ( 2.325 -4.246 -1.360) 5.028 5.549 ( -1.948 -2.428 2.582) 4.044 5.642 ( -1.029 -2.698 -1.671) 3.336 5.859 ( 1.798 -0.964 -0.423) 2.083 5.877 ( 1.143 -1.379 -0.808) 1.965 5.984 ( 1.927 0.035 -0.586) 2.015 5.990 ( 1.909 -0.514 -0.662) 2.085 6.099 ( 1.128 -1.274 0.844) 1.900 6.141 ( 2.703 -1.321 -1.059) 3.189 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -10.927 2.529 3.693) 11.808 1.264 ( -14.377 -1.837 -2.312) 14.677 1.501 ( -13.300 2.301 -0.214) 13.500 1.592 ( -8.992 0.311 -4.467) 10.045 1.754 ( -6.389 1.196 -1.103) 6.593 1.806 ( -5.364 0.300 -3.626) 6.482 1.889 ( -2.290 -2.052 0.556) 3.125 1.949 ( -3.582 -2.318 -0.557) 4.303 2.006 ( -3.891 -3.739 3.799) 6.600 2.102 ( -3.385 -1.984 9.003) 9.821 2.177 ( -5.978 -0.477 4.033) 7.227 2.249 ( -3.209 -3.262 -2.149) 5.056 2.366 ( -7.265 0.038 0.524) 7.284 2.439 ( -7.913 -0.428 2.300) 8.252 2.645 ( -3.204 -0.411 -5.296) 6.204 2.723 ( -3.627 2.225 -2.597) 4.985 2.735 ( 0.530 -0.205 -8.378) 8.397 2.876 ( -2.961 -0.573 -2.962) 4.227 2.879 ( 3.823 -0.339 -0.059) 3.839 3.013 ( -5.740 -0.338 -4.028) 7.020 3.275 ( -0.192 0.142 8.205) 8.209 3.320 ( 0.241 -0.589 5.512) 5.549 3.888 ( -7.032 -2.018 2.332) 7.679 3.979 ( -5.511 1.752 -0.402) 5.797 4.082 ( -1.292 2.884 -1.940) 3.708 4.150 ( 2.659 4.234 -3.413) 6.054 4.307 ( -3.181 0.502 1.759) 3.670 4.351 ( -2.832 0.144 0.770) 2.938 4.392 ( -0.094 3.788 1.960) 4.267 4.501 ( 0.965 2.447 -2.053) 3.336 4.578 ( -2.502 -0.598 2.627) 3.677 4.648 ( -0.155 0.377 0.096) 0.418 4.721 ( 0.278 -1.126 -2.909) 3.131 4.724 ( 2.088 0.108 -1.271) 2.447 4.868 ( -1.474 -0.246 1.793) 2.334 4.902 ( -5.226 1.865 -1.313) 5.702 4.945 ( 1.922 -1.361 -1.986) 3.080 4.991 ( 1.414 -0.447 -0.757) 1.665 5.345 ( 1.690 -3.638 5.514) 6.819 5.470 ( -1.520 -0.854 -0.725) 1.888 5.593 ( 2.686 -4.103 2.847) 5.671 5.676 ( 1.727 -5.096 -1.048) 5.481 5.896 ( 1.120 -1.609 -0.507) 2.026 5.906 ( 0.735 -1.719 -0.405) 1.913 6.010 ( 1.255 1.267 -0.636) 1.894 6.018 ( 1.292 0.727 -0.702) 1.641 6.111 ( -0.499 -1.499 1.684) 2.309 6.195 ( 2.522 -0.761 -2.157) 3.405 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -11.966 3.254 8.527) 15.049 0.955 ( -16.622 3.080 2.650) 17.111 1.199 ( -14.692 6.992 -1.134) 16.311 1.418 ( -9.676 1.678 -7.280) 12.225 1.611 ( -10.797 0.262 -2.530) 11.093 1.638 ( -12.187 1.353 -2.263) 12.469 1.816 ( -6.159 -1.353 2.995) 6.981 1.880 ( -6.319 -0.973 1.319) 6.528 1.928 ( -6.350 -0.583 0.918) 6.443 2.018 ( -2.157 -1.167 6.883) 7.307 2.093 ( -11.398 -0.173 2.833) 11.746 2.109 ( -2.530 0.465 3.309) 4.191 2.151 ( -10.399 -2.198 -3.559) 11.209 2.336 ( -5.046 -0.317 0.625) 5.095 2.535 ( -7.873 -7.991 -2.732) 11.546 2.671 ( -1.205 -3.298 -7.243) 8.049 2.763 ( 0.957 0.271 -5.180) 5.274 2.831 ( -0.261 0.173 -6.891) 6.898 2.968 ( 3.307 2.653 1.335) 4.445 3.041 ( 7.554 -1.009 -1.623) 7.791 3.273 ( 0.754 1.418 7.720) 7.885 3.327 ( 0.636 0.722 5.432) 5.517 3.772 ( -6.920 -2.548 1.319) 7.491 3.827 ( -8.158 0.255 -0.901) 8.212 4.096 ( 1.272 0.682 -0.042) 1.443 4.164 ( -2.831 0.396 -2.381) 3.720 4.212 ( -4.842 0.464 0.934) 4.953 4.288 ( -4.200 -1.840 -1.684) 4.885 4.343 ( -5.455 1.062 2.912) 6.274 4.436 ( -5.058 5.026 3.280) 7.849 4.487 ( -4.573 -0.517 -4.384) 6.356 4.576 ( -2.213 3.373 -1.968) 4.489 4.727 ( -4.058 -2.529 -0.210) 4.786 4.770 ( 2.878 0.013 1.296) 3.156 4.821 ( -0.915 0.735 -3.943) 4.114 4.899 ( 2.551 -1.981 -2.991) 4.402 5.011 ( 3.698 -1.111 1.382) 4.101 5.058 ( 4.619 -1.803 -0.049) 4.959 5.434 ( 5.799 -0.538 3.001) 6.552 5.456 ( -0.004 0.221 1.022) 1.046 5.663 ( 2.643 -2.278 2.905) 4.540 5.734 ( 1.367 -3.298 0.457) 3.599 5.914 ( 0.326 -0.542 0.158) 0.652 5.920 ( 0.287 -1.079 -0.421) 1.193 6.020 ( -0.273 1.268 -0.812) 1.530 6.027 ( 0.168 0.872 -0.745) 1.159 6.121 ( 1.301 -2.592 2.964) 4.147 6.253 ( 3.643 0.440 -3.064) 4.781 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -15.486 7.246 7.379) 18.622 0.694 ( -9.041 8.157 14.618) 19.025 0.891 ( -11.416 11.769 -3.057) 16.678 1.131 ( -24.568 14.530 12.211) 31.045 1.177 ( -12.751 5.239 -8.277) 16.080 1.551 ( -2.338 -4.751 -4.838) 7.172 1.676 ( -8.272 -4.767 -0.700) 9.573 1.797 ( -8.582 -3.442 -3.333) 9.828 1.832 ( -2.249 -2.569 1.685) 3.807 1.893 ( -3.854 1.922 -1.714) 4.635 1.987 ( -4.990 -2.350 -0.773) 5.570 2.042 ( 0.210 -1.464 9.697) 9.809 2.115 ( -0.115 1.673 -3.215) 3.626 2.213 ( -5.105 0.550 0.972) 5.226 2.497 ( -1.750 -9.497 0.456) 9.668 2.698 ( 0.363 -7.702 -12.297) 14.515 2.769 ( 0.508 1.180 -5.345) 5.497 2.861 ( 2.940 1.086 -4.575) 5.546 3.041 ( 5.083 1.288 6.048) 8.005 3.167 ( 3.936 -2.135 1.101) 4.611 3.297 ( 3.060 3.782 5.393) 7.263 3.341 ( 1.591 1.162 5.352) 5.703 3.650 ( -6.602 -0.876 -0.253) 6.665 3.673 ( -8.427 -0.567 -1.620) 8.600 3.908 ( -16.049 -0.000 2.079) 16.183 4.032 ( -12.686 -3.531 -3.980) 13.756 4.188 ( -1.312 1.542 -0.796) 2.176 4.230 ( -3.046 -0.517 -3.357) 4.563 4.254 ( -0.549 0.711 -0.883) 1.259 4.319 ( -4.761 -1.048 -2.174) 5.338 4.438 ( -0.326 1.095 0.392) 1.208 4.549 ( 0.491 1.360 -2.211) 2.642 4.664 ( -3.719 -2.630 3.324) 5.639 4.807 ( 0.067 1.578 -1.379) 2.097 4.814 ( 1.300 0.717 -0.400) 1.537 4.943 ( 1.074 -1.497 -5.274) 5.586 5.095 ( 3.253 -2.814 2.483) 4.967 5.153 ( 3.739 -1.075 -0.372) 3.909 5.451 ( -0.245 -0.005 2.180) 2.194 5.545 ( 4.090 0.013 -1.143) 4.247 5.720 ( 2.726 -0.136 3.859) 4.727 5.784 ( 5.111 2.405 3.392) 6.588 5.927 ( 0.400 -0.346 -0.455) 0.697 5.934 ( 0.943 -0.278 -0.120) 0.991 5.975 ( -2.913 0.210 0.347) 2.941 6.016 ( -1.687 1.244 -2.308) 3.118 6.188 ( 3.053 -4.895 5.304) 7.837 6.333 ( 5.051 1.321 -2.815) 5.931 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -0.000 15.287 10.773) 18.702 0.461 ( -0.000 15.513 15.167) 21.695 0.680 ( -0.000 10.585 8.460) 13.550 0.801 ( -0.000 12.489 17.342) 21.371 0.992 ( -0.000 4.692 -11.525) 12.444 1.542 ( 0.000 -0.376 5.244) 5.258 1.652 ( 0.000 -12.666 -12.975) 18.132 1.699 ( 0.000 -2.051 -3.007) 3.640 1.821 ( 0.000 -1.081 1.682) 2.000 1.871 ( -0.000 0.083 -0.856) 0.860 1.942 ( 0.000 -0.852 -0.940) 1.268 2.045 ( -0.000 4.914 -2.471) 5.500 2.069 ( -0.000 4.090 0.293) 4.100 2.211 ( 0.000 -5.679 5.886) 8.179 2.544 ( 0.000 -10.386 2.377) 10.655 2.742 ( 0.000 -2.708 -12.156) 12.454 2.771 ( 0.000 -1.184 -4.815) 4.959 2.918 ( 0.000 -1.286 -4.776) 4.946 3.098 ( -0.000 0.644 6.765) 6.796 3.234 ( 0.000 -3.794 4.884) 6.184 3.313 ( -0.000 6.149 1.872) 6.428 3.369 ( -0.000 2.501 3.107) 3.988 3.479 ( -0.000 0.510 1.697) 1.772 3.576 ( -0.000 0.060 -3.088) 3.089 3.734 ( -0.000 0.176 2.518) 2.524 3.802 ( 0.000 -0.284 -1.014) 1.054 4.172 ( 0.000 -0.816 1.069) 1.345 4.180 ( -0.000 6.503 0.016) 6.503 4.249 ( 0.000 -0.278 -2.994) 3.007 4.299 ( 0.000 -2.587 -3.807) 4.603 4.441 ( 0.000 -0.835 3.874) 3.963 4.561 ( 0.000 -0.793 -2.047) 2.195 4.624 ( 0.000 -0.063 5.101) 5.101 4.788 ( -0.000 3.172 -3.528) 4.745 4.827 ( -0.000 0.114 1.889) 1.893 4.962 ( 0.000 -1.365 -5.370) 5.541 5.146 ( 0.000 -3.255 2.473) 4.088 5.194 ( 0.000 -0.358 -0.421) 0.553 5.451 ( 0.000 -1.333 2.793) 3.095 5.575 ( -0.000 0.532 -2.930) 2.978 5.751 ( -0.000 0.524 4.693) 4.722 5.913 ( -0.000 0.371 0.441) 0.576 5.916 ( -0.000 3.000 -3.330) 4.483 5.933 ( -0.000 0.350 -0.441) 0.563 5.941 ( -0.000 0.061 0.061) 0.086 5.951 ( -0.000 0.127 -0.390) 0.410 6.267 ( 0.000 -7.395 6.437) 9.804 6.400 ( -0.000 0.551 -3.428) 3.472 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 10.834 -0.000 1.257) 10.906 1.521 ( 6.268 -0.000 -9.327) 11.237 1.748 ( 11.794 -0.000 0.180) 11.795 1.754 ( 10.634 -0.000 0.151) 10.635 1.796 ( 0.374 -0.000 0.975) 1.044 1.815 ( -0.740 0.000 -1.200) 1.410 1.968 ( 6.146 -0.000 0.176) 6.149 2.059 ( 4.136 -0.000 -4.234) 5.919 2.143 ( 4.496 -0.000 9.521) 10.529 2.195 ( 0.257 -0.000 3.122) 3.132 2.333 ( 3.935 -0.000 -2.263) 4.540 2.375 ( 5.793 -0.000 1.120) 5.900 2.494 ( 1.128 -0.000 6.537) 6.634 2.523 ( -5.633 0.000 3.803) 6.796 2.542 ( 0.811 -0.000 0.097) 0.817 2.712 ( 0.013 -0.000 -6.008) 6.008 2.789 ( 2.235 -0.000 -12.609) 12.806 2.858 ( 0.032 -0.000 -7.771) 7.771 2.953 ( 6.003 -0.000 7.238) 9.403 3.189 ( 5.981 -0.000 -5.032) 7.816 3.285 ( 0.192 -0.000 9.185) 9.187 3.362 ( 1.811 -0.000 3.439) 3.887 3.924 ( -3.628 0.000 -0.000) 3.628 3.925 ( -5.706 0.000 0.019) 5.706 4.064 ( 5.303 -0.000 0.939) 5.385 4.148 ( 8.207 -0.000 -2.773) 8.663 4.257 ( -0.762 0.000 2.845) 2.945 4.362 ( 0.660 -0.000 -0.889) 1.107 4.424 ( 2.872 -0.000 -0.723) 2.961 4.455 ( 3.561 -0.000 -1.132) 3.737 4.578 ( -1.748 0.000 1.053) 2.040 4.666 ( -1.203 0.000 -2.949) 3.185 4.717 ( 3.056 -0.000 2.527) 3.966 4.822 ( 2.383 -0.000 -0.623) 2.463 4.841 ( -0.187 0.000 4.524) 4.527 4.929 ( 0.712 -0.000 -1.648) 1.795 4.956 ( 1.024 -0.000 -1.744) 2.023 4.964 ( 0.190 -0.000 -2.223) 2.231 5.410 ( 0.623 -0.000 4.418) 4.462 5.534 ( 1.120 -0.000 -1.534) 1.899 5.606 ( -1.431 0.000 3.693) 3.961 5.701 ( -2.704 0.000 -0.703) 2.794 5.904 ( -3.758 0.000 -1.164) 3.934 5.909 ( -1.952 0.000 -1.572) 2.507 5.980 ( -0.366 0.000 -0.095) 0.378 5.996 ( -0.411 0.000 -0.628) 0.750 6.135 ( -2.358 0.000 0.247) 2.371 6.154 ( -1.200 0.000 -0.564) 1.326 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 8.667 -0.095 -1.597) 8.814 1.601 ( 3.033 0.075 -7.459) 8.052 1.763 ( -2.344 0.391 0.255) 2.390 1.776 ( -3.020 -0.580 -0.984) 3.228 1.909 ( 5.734 0.164 0.694) 5.778 1.925 ( 6.283 0.281 1.989) 6.596 2.104 ( 5.113 1.650 0.887) 5.446 2.131 ( 1.495 -1.400 -0.160) 2.055 2.171 ( -2.159 1.539 0.563) 2.711 2.235 ( 3.840 1.661 -3.265) 5.307 2.356 ( 4.037 2.201 5.506) 7.174 2.393 ( -0.576 0.586 5.037) 5.104 2.463 ( -1.598 3.172 4.496) 5.730 2.528 ( 1.418 -6.581 1.327) 6.861 2.553 ( -0.391 -0.120 0.928) 1.015 2.693 ( -2.355 -0.331 -2.280) 3.295 2.812 ( 0.294 0.302 -12.990) 12.997 2.862 ( 0.202 0.131 -8.759) 8.762 3.084 ( 7.311 -0.199 4.654) 8.669 3.244 ( 0.693 0.443 -0.795) 1.144 3.275 ( -0.908 0.478 8.616) 8.677 3.358 ( -2.479 0.371 0.967) 2.687 3.822 ( -4.650 -1.351 0.954) 4.936 3.857 ( -4.100 -1.082 -0.674) 4.293 4.200 ( 6.581 0.182 0.295) 6.591 4.257 ( 3.178 2.226 -0.019) 3.880 4.294 ( 5.804 -3.911 1.942) 7.263 4.412 ( 4.983 -0.705 -1.936) 5.392 4.509 ( 5.215 0.318 -0.879) 5.298 4.522 ( 3.394 -0.196 -0.851) 3.505 4.552 ( -0.567 0.453 1.504) 1.670 4.663 ( 0.670 0.207 -4.273) 4.330 4.753 ( 0.697 0.720 2.843) 3.015 4.829 ( 0.853 2.676 1.977) 3.435 4.861 ( -0.022 -2.764 1.293) 3.052 4.939 ( 0.969 -0.422 -0.993) 1.450 4.965 ( 0.041 0.302 -0.901) 0.951 5.003 ( 2.229 -0.859 -3.037) 3.864 5.371 ( -4.688 1.099 5.088) 7.005 5.454 ( -6.802 0.724 1.686) 7.045 5.653 ( 3.920 0.741 -0.199) 3.994 5.682 ( 0.863 -0.359 -0.972) 1.349 5.842 ( -2.389 0.344 -0.422) 2.450 5.875 ( -1.466 0.191 -1.778) 2.313 5.956 ( -1.858 0.194 -0.288) 1.890 5.963 ( -2.385 0.155 -0.502) 2.442 6.084 ( -2.971 0.239 0.546) 3.030 6.110 ( -3.234 0.321 -0.627) 3.310 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 2.551 1.135 -3.882) 4.781 1.662 ( 4.781 -0.704 -4.434) 6.559 1.712 ( -2.549 0.109 -0.148) 2.556 1.725 ( -2.202 -0.452 -1.005) 2.463 1.979 ( 1.703 0.296 0.723) 1.873 1.991 ( 1.341 0.583 2.290) 2.717 2.056 ( -4.574 1.148 1.303) 4.892 2.101 ( -6.590 3.039 -0.403) 7.268 2.162 ( 2.568 5.158 2.169) 6.157 2.242 ( 2.295 0.334 0.617) 2.400 2.410 ( -1.991 1.817 5.285) 5.932 2.483 ( 5.747 -2.455 1.455) 6.417 2.498 ( 2.485 -0.885 1.655) 3.115 2.509 ( 2.605 -0.382 0.036) 2.633 2.587 ( -0.520 -3.350 -0.679) 3.458 2.629 ( -4.315 -6.123 2.159) 7.796 2.806 ( -0.606 0.372 -12.915) 12.935 2.856 ( -1.187 -0.864 -10.133) 10.239 3.194 ( 3.316 1.939 2.554) 4.612 3.232 ( -1.093 0.151 2.417) 2.657 3.248 ( -1.796 1.590 6.609) 7.031 3.287 ( -3.565 0.599 2.618) 4.464 3.788 ( 1.140 -0.399 0.615) 1.356 3.815 ( 0.780 -0.627 -0.584) 1.159 4.256 ( 1.949 0.538 0.646) 2.122 4.294 ( 2.054 2.582 -0.870) 3.412 4.484 ( 5.266 -2.372 0.747) 5.824 4.488 ( 1.069 -0.924 0.619) 1.543 4.540 ( 0.324 0.374 1.798) 1.864 4.580 ( 5.940 -0.408 0.855) 6.015 4.629 ( 3.105 -1.981 -2.781) 4.615 4.685 ( 1.816 -0.011 -2.356) 2.975 4.733 ( -1.072 0.543 0.067) 1.204 4.827 ( -0.985 0.553 -2.131) 2.412 4.875 ( 0.958 -0.922 3.385) 3.637 4.956 ( 0.799 0.300 -0.547) 1.014 4.970 ( 0.513 -0.293 -0.041) 0.592 5.028 ( -0.599 0.036 -4.255) 4.297 5.256 ( -4.817 1.048 5.894) 7.684 5.313 ( -6.617 0.727 1.961) 6.940 5.698 ( 1.074 0.521 -0.294) 1.229 5.724 ( 2.037 -0.360 -1.110) 2.348 5.812 ( -0.632 0.114 0.012) 0.642 5.852 ( -0.904 0.170 -1.535) 1.789 5.918 ( -1.753 0.484 -0.133) 1.824 5.922 ( -1.490 0.179 -0.257) 1.523 6.026 ( -2.387 0.135 0.171) 2.397 6.039 ( -3.480 0.165 -0.392) 3.506 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -3.064 0.253 -2.071) 3.707 1.658 ( -3.359 -0.626 -2.406) 4.179 1.719 ( 1.140 0.189 -0.402) 1.224 1.736 ( 1.407 0.954 -2.997) 3.445 1.930 ( -4.768 1.025 4.693) 6.769 1.975 ( -2.017 0.402 0.446) 2.105 1.989 ( -3.949 -0.525 0.640) 4.035 2.019 ( 1.308 -0.756 -0.437) 1.573 2.190 ( 0.865 3.557 0.736) 3.734 2.256 ( -0.495 1.613 -0.149) 1.694 2.373 ( -0.390 -0.050 4.463) 4.480 2.438 ( -4.124 -0.852 1.436) 4.449 2.492 ( -4.904 0.419 1.478) 5.140 2.558 ( -2.624 -3.006 -0.046) 3.990 2.635 ( 5.338 -2.664 -0.004) 5.965 2.672 ( 0.536 -6.288 0.460) 6.327 2.787 ( -1.086 1.007 -12.320) 12.409 2.834 ( -1.083 -1.547 -10.159) 10.333 3.175 ( -2.587 2.446 3.575) 5.045 3.195 ( -0.648 0.118 3.085) 3.155 3.241 ( 0.971 -0.735 4.557) 4.717 3.244 ( -0.999 0.107 4.312) 4.428 3.869 ( 6.985 1.722 0.644) 7.223 3.903 ( 7.846 2.385 -0.813) 8.241 4.284 ( 1.440 2.097 0.460) 2.585 4.306 ( 0.763 4.023 -0.546) 4.131 4.456 ( -4.082 -2.218 1.415) 4.857 4.495 ( -2.049 -1.123 -0.501) 2.389 4.539 ( -0.837 0.000 2.094) 2.256 4.628 ( -1.501 -0.795 0.004) 1.698 4.663 ( -2.314 0.353 0.375) 2.370 4.696 ( -2.223 -0.116 -1.856) 2.898 4.707 ( -3.076 -2.172 -1.737) 4.147 4.780 ( -3.313 -0.523 -3.540) 4.877 4.940 ( 4.849 0.640 1.992) 5.281 4.965 ( -1.874 0.755 0.586) 2.104 4.978 ( -1.349 0.533 -1.054) 1.793 5.015 ( 5.040 -0.444 -0.791) 5.121 5.207 ( -1.952 0.234 3.728) 4.214 5.244 ( 1.108 -1.698 1.729) 2.665 5.681 ( -2.936 -0.047 0.429) 2.968 5.729 ( -1.930 -0.135 -1.238) 2.297 5.812 ( 0.410 0.093 -0.274) 0.502 5.836 ( -0.601 -0.233 -1.435) 1.573 5.900 ( 0.468 0.037 0.332) 0.575 5.910 ( 0.403 -0.084 -0.368) 0.552 6.004 ( 0.149 -0.767 0.106) 0.789 6.016 ( 1.257 -0.471 -0.391) 1.398 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -6.939 0.192 -1.183) 7.042 1.584 ( -5.318 -0.638 -4.304) 6.871 1.710 ( -2.284 -2.725 1.587) 3.894 1.757 ( 2.029 -1.201 -0.242) 2.370 1.881 ( -5.549 -1.286 0.762) 5.747 1.914 ( -0.237 0.260 -1.584) 1.623 1.929 ( -2.420 -1.895 3.974) 5.024 2.049 ( -0.889 -1.652 -1.051) 2.151 2.138 ( -4.778 0.323 2.682) 5.489 2.213 ( -2.299 3.691 -0.821) 4.425 2.307 ( -8.293 -0.490 2.943) 8.814 2.391 ( -1.794 -2.949 3.601) 4.988 2.428 ( -0.043 2.973 -2.350) 3.790 2.507 ( -3.391 -4.365 0.650) 5.565 2.665 ( -1.371 0.717 2.784) 3.185 2.721 ( 2.002 0.002 -6.393) 6.699 2.763 ( 0.273 -1.010 -11.421) 11.469 2.849 ( 1.395 0.566 -6.865) 7.028 3.129 ( -2.035 0.359 3.600) 4.151 3.201 ( -0.475 -0.821 1.835) 2.066 3.229 ( -0.377 -0.273 7.230) 7.245 3.273 ( 0.671 -2.555 3.895) 4.706 3.996 ( 6.604 3.013 0.867) 7.311 4.042 ( 7.324 4.373 -1.002) 8.589 4.259 ( -3.230 4.186 -0.223) 5.292 4.272 ( -1.215 2.397 -0.290) 2.703 4.417 ( -0.444 -2.881 0.819) 3.027 4.454 ( -3.957 -2.131 -0.852) 4.574 4.500 ( -2.851 1.608 1.490) 3.597 4.540 ( -6.159 3.365 2.240) 7.367 4.562 ( -5.556 1.658 -1.286) 5.939 4.620 ( -0.898 -2.926 1.240) 3.302 4.694 ( -2.114 1.167 -4.665) 5.253 4.747 ( -0.521 -2.587 -3.815) 4.639 4.904 ( -2.863 0.259 1.426) 3.209 4.949 ( -1.786 -0.712 -0.630) 2.023 5.002 ( 1.946 0.959 4.114) 4.651 5.099 ( 1.506 2.036 -1.708) 3.055 5.207 ( 1.171 -3.203 4.334) 5.515 5.319 ( 3.839 -4.086 -0.505) 5.629 5.600 ( -5.036 -0.773 1.341) 5.268 5.669 ( -3.894 -0.911 -1.424) 4.246 5.825 ( 1.074 0.098 -0.595) 1.232 5.841 ( 0.670 -0.785 -1.168) 1.559 5.932 ( 2.286 -0.812 0.021) 2.427 5.937 ( 2.101 -0.352 -0.547) 2.199 6.041 ( 2.384 -1.218 0.475) 2.720 6.064 ( 2.872 -1.000 -0.546) 3.090 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -8.979 1.331 -0.008) 9.077 1.452 ( -9.129 -1.475 -5.123) 10.572 1.666 ( -5.250 -3.162 2.822) 6.747 1.758 ( -8.022 -2.507 -1.978) 8.635 1.810 ( 1.970 0.047 1.039) 2.228 1.882 ( -1.892 -0.386 -1.069) 2.207 1.943 ( -0.370 -2.049 -0.170) 2.089 1.963 ( -8.263 -1.829 0.004) 8.463 2.037 ( -6.384 -4.331 3.579) 8.504 2.125 ( -4.030 -1.823 4.057) 6.002 2.178 ( -3.750 1.486 1.739) 4.392 2.305 ( -8.644 -4.009 1.476) 9.642 2.445 ( 1.928 2.071 -4.917) 5.673 2.513 ( 0.872 0.095 3.650) 3.754 2.659 ( 3.064 4.769 2.299) 6.117 2.728 ( -0.502 -0.328 -12.365) 12.379 2.800 ( 1.623 0.007 -7.126) 7.308 2.859 ( -0.007 1.731 -5.558) 5.821 3.023 ( -8.828 1.240 3.518) 9.583 3.128 ( -7.934 -2.541 -1.823) 8.528 3.254 ( 1.342 -1.286 9.026) 9.216 3.287 ( 0.228 -2.274 6.397) 6.792 4.051 ( -6.178 3.196 1.602) 7.138 4.054 ( 1.197 3.540 1.245) 3.939 4.189 ( 0.763 4.595 -2.802) 5.436 4.217 ( -4.629 1.740 -4.252) 6.522 4.362 ( -1.956 1.359 3.352) 4.112 4.420 ( -3.792 -0.087 0.333) 3.808 4.464 ( 1.520 3.213 0.133) 3.556 4.487 ( 0.617 1.029 -0.257) 1.227 4.517 ( 2.455 -0.701 1.823) 3.137 4.616 ( -2.108 -3.769 2.342) 4.913 4.666 ( 1.785 1.401 -5.251) 5.721 4.745 ( -1.199 -1.403 -3.341) 3.817 4.876 ( -0.206 -0.698 1.062) 1.288 4.927 ( -1.140 -1.383 -0.765) 1.949 5.009 ( -0.525 1.805 2.424) 3.068 5.055 ( -3.849 3.566 -0.715) 5.295 5.244 ( -0.229 -6.056 5.595) 8.248 5.414 ( 3.038 -5.037 -1.745) 6.136 5.524 ( -3.034 -1.950 2.302) 4.279 5.615 ( -2.123 -2.092 -1.802) 3.483 5.851 ( 1.463 -0.494 -0.455) 1.610 5.863 ( 1.043 -1.027 -0.608) 1.585 5.983 ( 2.388 -0.268 -0.601) 2.477 5.984 ( 2.469 -0.321 -0.569) 2.554 6.086 ( 1.259 -1.081 0.801) 1.842 6.124 ( 2.568 -1.547 -0.941) 3.142 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -10.095 2.723 2.424) 10.733 1.255 ( -11.659 0.366 -2.296) 11.889 1.527 ( -9.860 2.232 -0.013) 10.110 1.586 ( -9.851 -1.253 -3.603) 10.564 1.760 ( -8.057 -0.333 -1.045) 8.132 1.801 ( -7.270 -1.330 -3.108) 8.018 1.863 ( -1.799 -2.478 0.857) 3.179 1.931 ( -4.816 -1.895 2.306) 5.665 1.960 ( -0.552 -3.554 0.214) 3.603 2.071 ( -4.740 -3.163 6.557) 8.687 2.159 ( -5.224 -5.493 2.239) 7.904 2.213 ( 2.999 0.723 2.836) 4.191 2.383 ( -7.365 1.938 0.798) 7.658 2.442 ( -10.807 1.037 0.368) 10.863 2.644 ( -7.852 0.128 -5.884) 9.813 2.734 ( 1.751 0.113 -12.872) 12.991 2.752 ( -5.878 2.585 1.459) 6.585 2.871 ( -3.772 -0.243 -3.961) 5.475 2.877 ( 4.476 -0.045 1.695) 4.787 3.008 ( -2.936 -0.589 -3.283) 4.444 3.276 ( 0.635 -0.035 7.906) 7.931 3.312 ( 1.122 -0.744 5.768) 5.923 3.875 ( -8.701 -0.034 2.906) 9.173 4.004 ( -6.124 2.369 -1.016) 6.645 4.113 ( -1.944 2.593 -2.262) 3.952 4.187 ( 0.117 2.132 -3.521) 4.118 4.312 ( -4.239 0.457 1.485) 4.515 4.351 ( -3.112 0.267 -0.258) 3.134 4.441 ( -0.395 4.341 3.132) 5.367 4.519 ( 0.007 0.941 -0.725) 1.188 4.568 ( -1.491 -1.193 2.638) 3.256 4.638 ( 5.372 -1.846 1.484) 5.871 4.710 ( -3.199 -0.150 -3.882) 5.033 4.737 ( 4.390 1.377 -3.150) 5.576 4.866 ( -3.090 -0.103 1.562) 3.464 4.923 ( -5.727 0.566 -2.038) 6.105 4.933 ( 1.508 0.558 -0.520) 1.690 4.988 ( -0.054 -0.125 -0.515) 0.533 5.295 ( 3.022 -5.298 6.692) 9.055 5.455 ( -0.577 -1.825 -0.879) 2.106 5.545 ( 3.104 -4.243 2.257) 5.721 5.624 ( 1.410 -3.754 -1.597) 4.316 5.882 ( 1.250 -0.997 -0.314) 1.630 5.889 ( 0.913 -1.232 -0.280) 1.559 6.022 ( 1.651 0.725 -0.658) 1.919 6.026 ( 1.927 0.798 -0.705) 2.202 6.097 ( -0.489 -0.998 1.709) 2.039 6.181 ( 2.608 -1.695 -2.127) 3.769 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -12.237 3.304 5.166) 13.688 1.019 ( -9.775 7.877 3.042) 12.917 1.284 ( -11.337 8.000 -1.820) 13.994 1.421 ( -8.596 -1.379 -6.021) 10.585 1.596 ( -9.110 -2.002 -2.826) 9.747 1.650 ( -10.343 0.023 -3.880) 11.047 1.801 ( -4.967 -1.331 2.287) 5.628 1.868 ( -6.223 -1.379 -0.160) 6.376 1.923 ( -5.327 -0.712 3.432) 6.377 2.000 ( -3.923 -2.338 7.208) 8.533 2.093 ( -11.060 0.382 3.864) 11.722 2.116 ( -4.120 1.359 2.737) 5.129 2.135 ( -13.705 -0.709 -1.486) 13.803 2.324 ( -1.740 -1.600 0.374) 2.393 2.451 ( -9.836 -6.629 -1.861) 12.006 2.635 ( -5.207 -2.985 -6.939) 9.175 2.764 ( 0.860 -0.090 -6.399) 6.457 2.834 ( 0.511 0.224 -6.520) 6.544 2.998 ( 3.319 2.660 0.637) 4.301 3.031 ( 6.957 -0.699 -0.784) 7.036 3.291 ( 1.869 1.790 6.456) 6.955 3.334 ( 1.257 0.613 5.005) 5.196 3.740 ( -6.640 -2.626 2.028) 7.423 3.837 ( -8.819 1.226 -1.733) 9.071 4.104 ( 0.084 0.660 -0.160) 0.684 4.156 ( -6.067 -1.432 -1.475) 6.406 4.209 ( -5.101 -1.224 0.818) 5.309 4.278 ( -4.509 -0.044 -1.063) 4.633 4.359 ( -5.393 1.644 1.452) 5.822 4.469 ( -9.514 -1.316 -3.140) 10.105 4.499 ( -1.696 4.738 2.817) 5.767 4.607 ( -1.685 1.703 0.352) 2.422 4.706 ( -6.297 -0.826 -0.603) 6.380 4.771 ( 3.705 0.135 1.291) 3.926 4.826 ( -0.604 0.168 -4.495) 4.538 4.874 ( 2.696 -2.349 -1.767) 3.989 5.002 ( 2.598 -0.465 1.007) 2.825 5.042 ( 5.524 -0.890 -0.243) 5.600 5.418 ( 6.675 -2.473 3.012) 7.729 5.455 ( 0.092 -0.289 0.790) 0.846 5.638 ( 4.253 -2.086 2.471) 5.342 5.697 ( 3.878 -3.012 -0.080) 4.910 5.907 ( 0.858 -0.752 0.078) 1.144 5.910 ( 0.682 -0.830 -0.206) 1.093 6.030 ( -1.484 0.711 -0.287) 1.670 6.037 ( 0.383 0.629 -1.225) 1.430 6.104 ( 1.536 -0.396 3.137) 3.515 6.251 ( 4.014 -0.794 -3.449) 5.351 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -9.701 9.057 7.126) 15.064 0.816 ( -5.000 13.678 9.552) 17.417 1.037 ( -7.661 13.545 -3.905) 16.044 1.238 ( -10.326 5.241 -6.766) 13.412 1.303 ( -18.801 14.551 5.763) 24.462 1.484 ( -4.574 -5.897 -6.463) 9.872 1.642 ( -9.735 -1.813 1.418) 10.004 1.758 ( -9.025 -3.229 -2.371) 9.874 1.805 ( -1.775 -2.230 3.334) 4.387 1.904 ( -5.114 -0.116 -1.470) 5.322 1.956 ( -4.348 -3.047 0.688) 5.354 2.012 ( -1.490 -4.498 10.397) 11.425 2.086 ( -2.188 -4.402 6.399) 8.069 2.234 ( -4.146 0.612 -5.659) 7.042 2.415 ( -0.525 -3.916 -1.288) 4.155 2.598 ( -1.992 -9.142 -12.679) 15.758 2.779 ( 0.876 0.409 -6.455) 6.527 2.864 ( 2.067 -0.424 -4.599) 5.060 3.060 ( 4.678 1.946 5.539) 7.506 3.149 ( 4.118 -1.145 1.898) 4.677 3.335 ( 3.738 2.792 3.726) 5.971 3.358 ( 2.181 2.020 4.831) 5.672 3.633 ( -6.367 -1.934 0.180) 6.656 3.670 ( -8.044 0.033 -1.344) 8.155 3.907 ( -15.334 -0.131 1.826) 15.443 3.996 ( -14.167 -2.999 -2.684) 14.728 4.179 ( -1.515 -2.402 -0.031) 2.840 4.209 ( -1.579 -1.560 0.367) 2.250 4.296 ( -0.471 3.960 -2.243) 4.575 4.304 ( -5.342 -1.521 -3.668) 6.656 4.447 ( -2.211 0.417 2.261) 3.190 4.561 ( -2.043 0.535 -2.273) 3.103 4.644 ( -0.937 -0.729 4.943) 5.083 4.817 ( 1.561 0.872 1.823) 2.554 4.826 ( 0.323 0.852 -3.887) 3.992 4.923 ( 0.977 -1.777 -4.524) 4.958 5.067 ( 2.889 -2.043 2.422) 4.288 5.144 ( 4.045 -0.483 -0.740) 4.140 5.451 ( -0.427 0.105 1.788) 1.841 5.539 ( 3.916 -1.166 -1.786) 4.459 5.722 ( 3.918 0.483 3.939) 5.577 5.805 ( 6.871 1.075 1.938) 7.219 5.924 ( 0.622 -0.232 -0.058) 0.667 5.929 ( 0.940 -0.585 0.239) 1.133 5.979 ( -2.999 0.336 0.514) 3.062 6.025 ( -1.841 0.115 -2.475) 3.087 6.150 ( 2.420 -1.415 5.214) 5.920 6.338 ( 4.556 -0.147 -4.032) 6.086 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.000 13.014 10.046) 16.440 0.666 ( -0.000 19.925 9.502) 22.074 0.848 ( -0.000 17.933 -0.239) 17.935 0.985 ( -0.000 19.172 14.152) 23.829 1.064 ( -0.000 7.852 -9.367) 12.222 1.511 ( 0.000 -11.600 -10.370) 15.560 1.534 ( 0.000 -0.994 4.201) 4.317 1.669 ( 0.000 -3.159 -2.890) 4.281 1.804 ( 0.000 -1.793 2.214) 2.849 1.870 ( 0.000 -0.507 -1.062) 1.177 1.922 ( 0.000 -2.292 0.004) 2.292 2.035 ( 0.000 -3.886 9.347) 10.123 2.106 ( 0.000 -9.101 7.022) 11.495 2.175 ( -0.000 6.511 -8.962) 11.077 2.439 ( 0.000 -6.767 -0.478) 6.784 2.645 ( 0.000 -11.194 -13.574) 17.594 2.786 ( -0.000 1.155 -5.739) 5.854 2.901 ( 0.000 -1.725 -3.971) 4.330 3.111 ( -0.000 1.565 8.108) 8.258 3.206 ( 0.000 -1.295 5.530) 5.680 3.365 ( -0.000 2.716 2.455) 3.661 3.403 ( -0.000 3.653 1.052) 3.802 3.487 ( -0.000 0.946 1.597) 1.857 3.577 ( -0.000 0.085 -2.748) 2.749 3.737 ( -0.000 0.359 2.164) 2.193 3.798 ( 0.000 -0.555 -0.917) 1.072 4.160 ( 0.000 -1.261 1.204) 1.743 4.228 ( 0.000 -0.635 -0.541) 0.834 4.244 ( 0.000 -0.622 -3.245) 3.304 4.287 ( -0.000 2.643 -3.530) 4.409 4.428 ( 0.000 -1.461 3.981) 4.241 4.548 ( 0.000 -1.516 -2.021) 2.527 4.632 ( -0.000 1.465 5.735) 5.919 4.819 ( -0.000 2.040 -2.539) 3.257 4.830 ( -0.000 0.453 0.626) 0.772 4.942 ( 0.000 -1.974 -4.986) 5.363 5.111 ( 0.000 -2.730 2.328) 3.588 5.188 ( 0.000 -0.674 -0.889) 1.116 5.444 ( -0.000 0.055 2.510) 2.510 5.577 ( 0.000 -0.369 -3.604) 3.622 5.761 ( -0.000 1.311 5.517) 5.671 5.919 ( -0.000 0.652 0.433) 0.782 5.932 ( 0.000 -0.107 -1.154) 1.159 5.939 ( -0.000 0.613 -0.434) 0.751 5.941 ( 0.000 -0.363 0.346) 0.501 5.963 ( -0.000 1.877 -2.212) 2.901 6.197 ( 0.000 -4.398 7.841) 8.990 6.397 ( 0.000 -0.782 -4.450) 4.518 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 1.390 -0.000 -4.893) 5.087 1.655 ( 6.310 -0.000 -3.888) 7.412 1.713 ( -3.095 0.000 -0.386) 3.119 1.722 ( -1.848 0.000 -0.466) 1.906 1.981 ( 1.716 -0.000 0.616) 1.823 1.994 ( 1.180 -0.000 1.964) 2.292 2.062 ( -4.616 0.000 1.538) 4.865 2.114 ( -4.673 0.000 -1.178) 4.820 2.223 ( 3.116 -0.000 3.083) 4.384 2.229 ( -1.404 0.000 3.126) 3.427 2.442 ( -3.566 0.000 0.280) 3.576 2.456 ( -0.758 0.000 3.742) 3.818 2.467 ( 6.852 -0.000 0.378) 6.863 2.506 ( 7.868 -0.000 1.804) 8.073 2.568 ( -0.127 0.000 -0.174) 0.216 2.600 ( -6.537 0.000 1.555) 6.719 2.809 ( -0.473 0.000 -12.703) 12.712 2.850 ( -1.595 0.000 -10.479) 10.600 3.205 ( 3.717 -0.000 3.267) 4.949 3.232 ( -1.799 0.000 2.955) 3.459 3.259 ( -1.345 0.000 5.763) 5.918 3.290 ( -3.918 0.000 2.405) 4.597 3.787 ( 1.908 -0.000 0.581) 1.995 3.812 ( 1.419 -0.000 -0.559) 1.525 4.259 ( 2.224 -0.000 0.833) 2.375 4.312 ( 2.044 -0.000 -1.370) 2.460 4.466 ( 7.718 -0.000 1.334) 7.832 4.482 ( 0.915 -0.000 0.578) 1.083 4.542 ( -0.173 0.000 1.648) 1.657 4.580 ( 4.417 -0.000 0.554) 4.452 4.615 ( 3.215 -0.000 -2.618) 4.147 4.685 ( 1.745 -0.000 -2.924) 3.405 4.736 ( -1.917 0.000 0.656) 2.026 4.830 ( -2.050 0.000 -2.043) 2.894 4.870 ( 2.381 -0.000 3.568) 4.290 4.959 ( 0.837 -0.000 -1.211) 1.472 4.968 ( 0.385 -0.000 0.340) 0.514 5.028 ( 0.061 -0.000 -4.248) 4.249 5.262 ( -5.302 0.000 5.872) 7.911 5.318 ( -6.896 0.000 2.030) 7.188 5.702 ( 0.644 -0.000 -0.424) 0.771 5.721 ( 2.375 -0.000 -0.996) 2.576 5.813 ( -0.728 0.000 -0.016) 0.728 5.853 ( -0.969 0.000 -1.562) 1.838 5.921 ( -1.849 0.000 -0.143) 1.854 5.922 ( -1.440 0.000 -0.252) 1.462 6.027 ( -2.520 0.000 0.183) 2.527 6.040 ( -3.746 0.000 -0.388) 3.766 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -3.739 0.201 -2.577) 4.545 1.652 ( -3.203 -0.355 -1.632) 3.612 1.720 ( 1.291 0.021 -0.240) 1.314 1.745 ( 1.746 0.513 -3.739) 4.158 1.942 ( -7.111 0.772 3.584) 8.001 1.978 ( -4.093 0.037 1.098) 4.238 1.985 ( -3.179 -0.075 0.383) 3.203 2.012 ( 1.284 -0.407 0.102) 1.351 2.226 ( -1.474 2.140 3.426) 4.300 2.275 ( 2.964 1.417 2.790) 4.311 2.378 ( -1.788 0.953 1.993) 2.842 2.431 ( -3.928 -0.538 0.375) 3.982 2.481 ( -5.366 -3.452 2.937) 7.025 2.521 ( -3.110 -0.683 -3.260) 4.557 2.604 ( 5.536 -2.048 -3.631) 6.931 2.637 ( 3.589 -0.987 2.311) 4.381 2.801 ( -1.065 1.389 -11.171) 11.307 2.817 ( -0.394 -1.421 -10.089) 10.196 3.195 ( -3.502 0.968 4.811) 6.029 3.197 ( -1.518 0.177 3.463) 3.785 3.237 ( 0.062 0.104 4.388) 4.389 3.242 ( -0.661 -0.528 3.746) 3.840 3.882 ( 7.356 0.588 0.765) 7.419 3.923 ( 8.883 0.927 -0.931) 8.980 4.305 ( 2.624 1.229 0.818) 3.011 4.347 ( 1.983 2.538 -1.117) 3.410 4.436 ( -5.284 -1.070 1.516) 5.600 4.481 ( -3.623 -1.108 -0.728) 3.858 4.539 ( -0.400 -0.035 1.927) 1.969 4.620 ( -1.592 -0.463 -0.573) 1.754 4.663 ( -0.744 -0.112 0.352) 0.830 4.681 ( -1.217 -1.282 -1.332) 2.214 4.701 ( -3.885 0.195 -1.018) 4.021 4.777 ( -2.959 -0.142 -3.703) 4.742 4.945 ( 4.566 0.222 1.683) 4.871 4.971 ( -0.448 0.264 1.096) 1.213 4.983 ( -1.659 0.235 -1.377) 2.168 5.012 ( 3.612 -0.125 -0.337) 3.630 5.213 ( -2.110 0.886 2.682) 3.526 5.227 ( -0.147 -1.347 2.249) 2.626 5.681 ( -3.103 0.003 0.470) 3.139 5.728 ( -2.042 -0.068 -1.116) 2.328 5.812 ( 0.552 0.036 -0.442) 0.708 5.834 ( -0.900 -0.073 -1.448) 1.707 5.901 ( 0.063 0.076 0.307) 0.323 5.909 ( 0.257 -0.019 -0.299) 0.395 5.997 ( -0.158 -0.350 0.196) 0.431 6.012 ( 1.095 -0.166 -0.439) 1.191 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -6.405 0.078 -0.918) 6.471 1.578 ( -5.604 -0.417 -3.545) 6.644 1.684 ( -4.832 -1.700 1.679) 5.391 1.745 ( 0.754 -0.808 -0.300) 1.144 1.867 ( -6.378 -0.971 0.063) 6.451 1.902 ( 0.048 -0.971 4.844) 4.940 1.936 ( -1.297 1.195 -2.689) 3.216 2.033 ( -1.379 -1.199 -0.751) 1.976 2.137 ( -6.723 -0.320 3.502) 7.587 2.265 ( -4.009 4.727 -0.476) 6.217 2.307 ( -5.904 1.112 2.140) 6.377 2.365 ( -2.358 -1.621 4.889) 5.665 2.440 ( -4.075 -6.956 -2.071) 8.323 2.463 ( 1.311 2.545 -2.712) 3.944 2.678 ( 2.034 1.226 3.220) 4.001 2.711 ( 4.240 -1.558 -6.827) 8.186 2.759 ( -1.624 0.166 -12.358) 12.465 2.856 ( 2.604 0.569 -5.103) 5.757 3.131 ( -2.412 0.148 3.815) 4.516 3.193 ( -0.937 -0.661 1.471) 1.865 3.227 ( -0.786 -0.163 6.501) 6.551 3.250 ( 0.139 -1.431 5.122) 5.320 4.022 ( 6.924 1.595 1.221) 7.209 4.077 ( 6.739 2.042 -1.073) 7.123 4.298 ( -2.548 2.570 0.094) 3.620 4.313 ( -4.409 4.561 -0.810) 6.395 4.384 ( 0.822 -2.689 0.745) 2.909 4.423 ( -2.479 -3.050 -0.934) 4.040 4.517 ( -1.851 1.462 1.825) 2.982 4.568 ( -6.200 2.111 0.983) 6.623 4.588 ( -4.344 0.626 0.484) 4.415 4.591 ( -2.069 -0.610 0.527) 2.221 4.694 ( 0.289 -1.744 -4.238) 4.592 4.726 ( -2.199 -0.458 -4.370) 4.913 4.909 ( -3.582 0.473 1.274) 3.831 4.940 ( -2.451 -0.880 -0.442) 2.641 5.010 ( 1.833 0.421 5.212) 5.541 5.113 ( 3.489 0.434 -0.860) 3.619 5.188 ( -0.451 -0.179 2.453) 2.500 5.277 ( 2.894 -3.219 -0.728) 4.389 5.594 ( -5.400 -0.363 1.429) 5.598 5.660 ( -4.342 -0.590 -1.294) 4.569 5.826 ( 0.853 0.201 -0.931) 1.279 5.834 ( 0.711 -0.498 -1.082) 1.387 5.924 ( 2.122 -0.472 0.259) 2.190 5.934 ( 2.101 -0.192 -0.519) 2.172 6.029 ( 2.450 -0.744 0.539) 2.617 6.055 ( 2.698 -0.550 -0.583) 2.814 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -8.245 1.233 -0.208) 8.339 1.441 ( -8.533 -0.497 -4.419) 9.622 1.633 ( -3.201 -2.524 2.147) 4.607 1.715 ( -6.307 -4.577 -2.702) 8.248 1.813 ( 1.300 0.358 1.883) 2.316 1.860 ( -4.239 -2.301 4.512) 6.604 1.931 ( -5.286 -1.386 0.265) 5.471 1.956 ( -3.224 0.854 -2.324) 4.065 1.996 ( -7.272 -2.863 2.478) 8.199 2.116 ( -6.632 -0.153 3.386) 7.448 2.183 ( -8.073 -0.672 -2.154) 8.383 2.286 ( -3.770 0.691 3.332) 5.079 2.445 ( 0.649 -1.943 -1.565) 2.578 2.528 ( 3.643 2.374 -0.616) 4.392 2.707 ( 2.121 3.156 -3.491) 5.162 2.731 ( 0.097 1.090 -5.996) 6.095 2.794 ( 2.607 -0.837 -8.523) 8.952 2.885 ( 0.735 2.538 -3.662) 4.516 3.034 ( -8.742 0.601 2.231) 9.042 3.098 ( -9.495 -2.766 -1.019) 9.942 3.241 ( 1.399 -1.040 8.942) 9.110 3.265 ( 1.056 -1.612 7.172) 7.426 4.082 ( -4.383 2.730 1.300) 5.324 4.096 ( -0.386 3.096 0.781) 3.217 4.225 ( -1.352 1.758 -2.442) 3.299 4.235 ( -4.457 1.463 -3.840) 6.063 4.369 ( -2.016 0.000 2.601) 3.291 4.413 ( -1.851 -1.060 -0.551) 2.203 4.484 ( 2.357 1.180 1.890) 3.243 4.516 ( 1.625 0.562 1.663) 2.392 4.519 ( -1.129 3.474 -0.044) 3.653 4.577 ( -1.979 -2.950 2.579) 4.389 4.684 ( 1.401 1.671 -5.257) 5.691 4.725 ( -0.386 -1.930 -5.032) 5.403 4.869 ( -0.181 -0.518 1.211) 1.329 4.909 ( -1.194 -1.684 -0.558) 2.138 5.027 ( 0.183 1.387 4.708) 4.912 5.093 ( -3.998 3.128 -0.539) 5.105 5.183 ( -1.539 -4.647 4.540) 6.676 5.360 ( 3.364 -4.433 -2.373) 6.050 5.506 ( -3.605 -1.227 2.268) 4.432 5.596 ( -2.430 -1.260 -1.807) 3.280 5.847 ( 1.222 -0.264 -0.604) 1.388 5.854 ( 1.001 -0.581 -0.444) 1.240 5.978 ( 2.923 -0.404 -0.308) 2.967 5.983 ( 2.777 -0.049 -0.745) 2.876 6.075 ( 1.492 -0.730 0.699) 1.802 6.108 ( 2.230 -1.236 -0.755) 2.659 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -9.850 2.100 0.789) 10.102 1.274 ( -7.750 2.841 -3.510) 8.969 1.545 ( -6.812 0.453 0.712) 6.864 1.577 ( -9.529 0.403 -3.132) 10.039 1.744 ( -9.235 -2.468 0.171) 9.560 1.778 ( -8.644 -2.563 -1.881) 9.210 1.837 ( -2.093 -2.603 1.844) 3.815 1.885 ( -2.816 -4.542 4.667) 7.096 1.942 ( -1.722 -1.374 -2.466) 3.306 2.031 ( -7.213 -3.935 2.452) 8.575 2.095 ( 0.632 -3.801 4.922) 6.251 2.247 ( 1.394 4.098 2.955) 5.240 2.395 ( -7.480 0.208 1.424) 7.617 2.465 ( -11.017 2.797 -1.720) 11.496 2.648 ( -10.687 0.614 -6.905) 12.738 2.731 ( -1.623 -0.875 -12.405) 12.542 2.779 ( -6.638 2.228 0.994) 7.072 2.872 ( -4.479 0.458 -3.474) 5.687 2.879 ( 6.572 0.605 2.262) 6.977 2.999 ( -0.139 -0.926 -2.601) 2.764 3.274 ( 1.674 -0.243 7.804) 7.985 3.303 ( 1.844 -0.791 6.008) 6.334 3.891 ( -10.000 2.801 2.755) 10.744 4.027 ( -7.311 1.451 -1.919) 7.696 4.138 ( -2.267 1.724 -1.646) 3.290 4.199 ( -2.108 0.159 -2.738) 3.459 4.316 ( -5.076 0.215 1.270) 5.237 4.357 ( -2.826 0.545 -0.543) 2.929 4.480 ( -3.198 2.272 2.226) 4.511 4.524 ( -0.642 -0.270 -0.074) 0.700 4.554 ( 0.174 -0.794 2.616) 2.739 4.616 ( 7.851 -1.661 2.207) 8.323 4.712 ( -2.159 0.346 -4.990) 5.448 4.750 ( 4.437 0.743 -3.222) 5.534 4.868 ( -3.726 0.395 1.306) 3.967 4.913 ( 0.235 -1.055 -1.757) 2.063 4.958 ( -4.964 2.624 0.001) 5.615 4.990 ( -1.511 0.469 -0.060) 1.584 5.231 ( 4.252 -5.813 7.580) 10.456 5.430 ( 0.875 -2.473 -1.595) 3.070 5.503 ( 3.098 -3.022 2.228) 4.867 5.594 ( 1.570 -1.736 -2.043) 3.107 5.873 ( 1.219 -0.605 -0.169) 1.371 5.878 ( 1.017 -0.835 -0.198) 1.331 6.028 ( 1.987 0.482 -0.503) 2.106 6.035 ( 2.537 0.722 -0.873) 2.778 6.088 ( -0.267 -0.534 1.448) 1.567 6.160 ( 2.564 -1.994 -1.828) 3.727 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -10.364 3.939 2.262) 11.316 1.119 ( -4.858 9.441 0.068) 10.618 1.370 ( -9.534 5.411 -3.583) 11.533 1.397 ( -7.698 -0.363 -1.940) 7.947 1.572 ( -9.376 -2.426 -1.591) 9.814 1.637 ( -7.942 -2.179 -3.969) 9.142 1.783 ( -4.039 -2.230 1.690) 4.914 1.845 ( -6.678 -3.052 -0.810) 7.387 1.908 ( -2.729 -1.760 3.794) 4.994 1.966 ( -3.032 -3.240 7.487) 8.704 2.091 ( -7.463 -0.658 4.887) 8.945 2.127 ( -14.800 -0.943 1.438) 14.899 2.154 ( -12.013 4.530 -0.973) 12.876 2.308 ( -1.160 -0.944 0.745) 1.670 2.394 ( -9.735 -3.238 -0.896) 10.298 2.606 ( -7.762 -2.292 -7.196) 10.830 2.761 ( 0.548 -0.308 -7.162) 7.190 2.836 ( 0.162 0.159 -6.237) 6.241 3.025 ( 3.181 2.000 0.598) 3.805 3.027 ( 6.793 -0.016 0.336) 6.801 3.311 ( 2.863 1.800 5.339) 6.320 3.340 ( 2.033 0.447 4.587) 5.037 3.721 ( -7.046 -0.606 2.532) 7.511 3.848 ( -9.609 0.635 -2.724) 10.007 4.108 ( -1.724 -0.101 -0.451) 1.785 4.137 ( -6.341 -1.696 -1.386) 6.709 4.193 ( -7.287 -1.307 2.075) 7.688 4.279 ( -4.822 0.003 -0.086) 4.823 4.372 ( -6.156 0.147 -0.435) 6.173 4.449 ( -8.285 -1.730 -2.968) 8.969 4.549 ( -3.962 3.809 3.600) 6.570 4.614 ( -1.846 -0.025 1.463) 2.356 4.707 ( -7.201 0.639 -1.014) 7.300 4.773 ( 4.513 0.336 1.523) 4.775 4.826 ( -0.468 -0.135 -5.147) 5.170 4.851 ( 2.803 -1.671 -0.055) 3.264 5.000 ( 1.857 -0.033 1.441) 2.351 5.041 ( 6.666 0.773 -1.140) 6.807 5.379 ( 6.719 -4.311 3.254) 8.621 5.450 ( 1.165 -0.457 0.382) 1.309 5.615 ( 5.882 -2.127 2.479) 6.728 5.673 ( 5.563 -1.221 -1.192) 5.819 5.898 ( 1.036 -0.760 0.181) 1.297 5.902 ( 1.024 -0.617 -0.135) 1.203 6.036 ( -2.092 0.224 -0.003) 2.104 6.041 ( -0.333 0.342 -0.618) 0.781 6.110 ( 2.779 1.051 1.953) 3.556 6.238 ( 4.532 -1.335 -3.366) 5.801 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -6.800 7.878 4.550) 11.358 0.988 ( -1.135 16.071 4.047) 16.611 1.175 ( -5.965 9.779 -5.588) 12.745 1.272 ( -5.724 1.062 -5.161) 7.780 1.413 ( -9.460 2.506 -1.577) 9.913 1.464 ( -8.338 4.334 -1.877) 9.583 1.628 ( -11.257 -0.759 1.201) 11.347 1.729 ( -8.079 -2.088 -1.998) 8.581 1.785 ( -4.768 -1.121 4.791) 6.851 1.883 ( -5.382 -3.865 0.004) 6.626 1.926 ( -3.964 -1.936 3.453) 5.602 1.950 ( -6.302 -4.845 8.391) 11.558 2.053 ( -3.723 -1.366 8.137) 9.052 2.204 ( -3.226 -4.750 -2.253) 6.168 2.401 ( 0.996 -1.044 -0.691) 1.600 2.517 ( -2.922 -4.125 -14.944) 15.776 2.778 ( 0.870 -0.420 -7.525) 7.587 2.854 ( 1.079 -1.278 -5.055) 5.325 3.081 ( 4.251 1.625 5.105) 6.839 3.140 ( 4.353 -0.510 2.758) 5.179 3.359 ( 2.798 1.688 3.054) 4.473 3.386 ( 3.778 2.721 2.797) 5.432 3.612 ( -5.694 -1.648 0.816) 5.984 3.671 ( -8.307 0.004 -1.521) 8.445 3.905 ( -14.382 -0.274 1.380) 14.451 3.965 ( -14.165 -2.439 -1.724) 14.476 4.149 ( -0.056 -2.623 1.561) 3.053 4.194 ( -3.746 -1.287 2.316) 4.588 4.285 ( -5.175 -1.586 -4.203) 6.853 4.324 ( -0.550 0.853 -3.372) 3.522 4.446 ( -4.227 -0.439 3.652) 5.603 4.561 ( -4.284 -0.481 -2.073) 4.784 4.646 ( 1.014 0.827 4.391) 4.582 4.829 ( 0.842 0.484 -2.864) 3.024 4.832 ( 1.452 1.122 0.773) 1.991 4.909 ( 1.602 -0.678 -3.063) 3.523 5.050 ( 2.643 -1.001 2.840) 4.007 5.144 ( 4.105 0.638 -1.160) 4.313 5.451 ( 0.385 -0.347 1.187) 1.295 5.520 ( 3.811 -2.034 -1.998) 4.760 5.727 ( 4.843 0.146 4.089) 6.340 5.809 ( 7.539 -0.218 0.670) 7.571 5.921 ( 1.017 -0.188 0.231) 1.060 5.923 ( 0.906 -0.543 0.279) 1.092 5.981 ( -3.121 0.132 0.818) 3.229 6.020 ( -2.015 -0.650 -1.598) 2.653 6.155 ( 2.412 1.708 3.228) 4.377 6.333 ( 4.358 -0.639 -4.355) 6.194 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.000 10.392 7.503) 12.818 0.890 ( -0.000 19.551 5.909) 20.425 1.041 ( -0.000 14.662 -7.324) 16.390 1.159 ( -0.000 8.794 -6.542) 10.960 1.201 ( -0.000 17.916 8.283) 19.738 1.407 ( 0.000 -5.966 -7.176) 9.332 1.519 ( 0.000 -1.769 2.960) 3.448 1.634 ( 0.000 -2.983 -3.099) 4.301 1.782 ( 0.000 -2.095 2.795) 3.493 1.858 ( 0.000 -1.720 -1.126) 2.056 1.898 ( 0.000 -1.925 2.471) 3.132 1.919 ( 0.000 -14.158 12.701) 19.020 2.041 ( 0.000 -2.790 7.315) 7.828 2.204 ( 0.000 -2.452 -4.271) 4.925 2.413 ( -0.000 0.630 -2.051) 2.146 2.524 ( 0.000 -8.393 -16.934) 18.900 2.791 ( 0.000 -0.163 -7.184) 7.186 2.879 ( 0.000 -2.208 -4.290) 4.825 3.129 ( -0.000 1.581 8.303) 8.452 3.196 ( 0.000 -0.746 5.426) 5.477 3.388 ( -0.000 1.809 1.591) 2.409 3.438 ( -0.000 2.310 0.763) 2.433 3.500 ( -0.000 1.233 1.442) 1.897 3.578 ( -0.000 0.081 -2.253) 2.254 3.741 ( -0.000 0.498 1.633) 1.708 3.790 ( 0.000 -0.781 -0.754) 1.085 4.145 ( 0.000 -1.253 1.331) 1.829 4.193 ( 0.000 -4.032 2.240) 4.613 4.236 ( 0.000 -0.874 -3.445) 3.554 4.326 ( -0.000 2.424 -4.110) 4.771 4.410 ( 0.000 -1.765 4.026) 4.396 4.527 ( 0.000 -2.029 -1.966) 2.825 4.651 ( -0.000 1.631 4.877) 5.142 4.833 ( -0.000 0.312 -2.997) 3.013 4.840 ( -0.000 1.592 1.410) 2.127 4.925 ( 0.000 -0.781 -4.085) 4.159 5.086 ( 0.000 -1.645 2.530) 3.018 5.183 ( 0.000 -0.028 -1.037) 1.037 5.450 ( -0.000 0.848 1.548) 1.765 5.566 ( 0.000 -1.572 -3.764) 4.079 5.776 ( -0.000 1.207 5.626) 5.754 5.922 ( 0.000 -1.819 0.220) 1.833 5.927 ( -0.000 0.776 0.421) 0.883 5.936 ( 0.000 -0.418 0.642) 0.766 5.946 ( -0.000 0.728 -0.423) 0.842 5.974 ( -0.000 0.057 -1.901) 1.902 6.174 ( -0.000 0.267 5.289) 5.295 6.387 ( 0.000 -0.983 -4.847) 4.946 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -6.124 0.000 -0.818) 6.179 1.575 ( -5.714 0.000 -3.267) 6.582 1.675 ( -5.882 0.000 1.702) 6.123 1.740 ( -0.045 0.000 -0.352) 0.355 1.862 ( -6.202 0.000 0.099) 6.203 1.896 ( -0.294 0.000 5.206) 5.214 1.944 ( -0.602 0.000 -3.576) 3.626 2.025 ( -1.630 0.000 -0.479) 1.699 2.135 ( -7.250 0.000 3.774) 8.174 2.288 ( -8.866 0.000 0.847) 8.907 2.350 ( -2.255 0.000 2.231) 3.172 2.355 ( 0.244 -0.000 6.281) 6.286 2.367 ( -4.801 0.000 -4.225) 6.395 2.479 ( 1.009 -0.000 -3.611) 3.749 2.688 ( 2.701 -0.000 4.538) 5.281 2.698 ( 5.421 -0.000 -9.159) 10.643 2.760 ( -2.086 0.000 -12.169) 12.346 2.860 ( 3.052 -0.000 -4.534) 5.466 3.132 ( -2.659 0.000 3.856) 4.684 3.188 ( -1.302 0.000 1.053) 1.675 3.225 ( -0.630 0.000 6.739) 6.769 3.243 ( -0.174 0.000 5.409) 5.411 4.031 ( 7.055 -0.000 1.338) 7.181 4.089 ( 6.498 -0.000 -1.069) 6.586 4.317 ( -4.433 0.000 0.433) 4.454 4.348 ( -8.201 0.000 -1.096) 8.274 4.365 ( 2.844 -0.000 0.533) 2.894 4.398 ( 0.790 -0.000 -0.860) 1.168 4.528 ( -0.911 0.000 2.129) 2.315 4.574 ( -3.082 0.000 0.964) 3.229 4.583 ( -6.757 0.000 1.019) 6.834 4.604 ( -2.807 0.000 -0.466) 2.846 4.676 ( 0.778 -0.000 -3.986) 4.061 4.726 ( -2.449 0.000 -4.351) 4.993 4.913 ( -3.999 0.000 1.031) 4.130 4.934 ( -2.651 0.000 -0.256) 2.664 5.012 ( 1.721 -0.000 5.691) 5.945 5.114 ( 4.051 -0.000 -0.151) 4.054 5.191 ( -0.769 0.000 1.097) 1.339 5.256 ( 2.495 -0.000 -0.689) 2.589 5.592 ( -5.532 0.000 1.448) 5.718 5.656 ( -4.497 0.000 -1.239) 4.665 5.828 ( 0.407 -0.000 -1.334) 1.394 5.830 ( 1.101 -0.000 -0.794) 1.358 5.922 ( 2.047 -0.000 0.361) 2.078 5.933 ( 2.095 -0.000 -0.505) 2.155 6.025 ( 2.491 -0.000 0.569) 2.555 6.052 ( 2.633 -0.000 -0.601) 2.701 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.961 0.556 -0.209) 7.983 1.439 ( -7.334 0.046 -4.360) 8.532 1.613 ( -1.815 -0.961 1.553) 2.575 1.672 ( -6.226 -2.329 -1.771) 6.879 1.817 ( 0.750 0.231 2.237) 2.371 1.842 ( -4.860 -0.853 5.588) 7.455 1.918 ( -8.604 -0.689 1.244) 8.720 1.966 ( -3.874 0.667 -1.514) 4.213 1.974 ( -5.157 -1.126 -0.039) 5.279 2.117 ( -7.434 0.067 3.235) 8.107 2.173 ( -10.878 -0.698 -2.343) 11.150 2.305 ( -0.979 1.750 0.701) 2.124 2.418 ( 1.541 -1.933 1.700) 3.001 2.551 ( 3.680 1.224 -2.521) 4.626 2.722 ( -1.140 0.345 -12.530) 12.586 2.753 ( 4.063 1.816 4.137) 6.076 2.784 ( 2.358 -0.808 -9.812) 10.123 2.909 ( 2.454 1.403 -2.900) 4.050 3.038 ( -8.561 0.154 1.305) 8.661 3.072 ( -11.317 -1.498 -0.381) 11.422 3.232 ( 1.238 -0.391 8.866) 8.961 3.253 ( 1.492 -0.576 7.555) 7.723 4.109 ( -2.662 1.905 0.611) 3.330 4.118 ( -0.777 0.613 0.306) 1.036 4.233 ( -2.816 0.136 -1.562) 3.223 4.247 ( -5.327 0.535 -3.102) 6.188 4.367 ( -1.497 -0.166 1.955) 2.468 4.401 ( -0.271 -0.682 -0.583) 0.937 4.502 ( 0.055 2.102 2.066) 2.948 4.524 ( 0.808 0.418 2.427) 2.592 4.528 ( -1.194 -1.872 1.257) 2.552 4.568 ( -1.596 1.041 0.700) 2.030 4.698 ( 0.861 0.750 -5.052) 5.179 4.707 ( 1.067 -1.135 -5.796) 6.002 4.866 ( -0.095 -0.055 1.173) 1.178 4.893 ( -1.216 -0.955 -0.383) 1.593 5.039 ( 1.484 0.662 7.116) 7.299 5.118 ( -3.841 0.899 -0.042) 3.945 5.148 ( -3.790 -1.300 2.359) 4.650 5.322 ( 3.819 -1.961 -2.922) 5.193 5.497 ( -3.860 -0.415 2.298) 4.511 5.587 ( -2.419 -0.419 -1.788) 3.037 5.845 ( 1.127 -0.101 -0.712) 1.337 5.850 ( 0.935 -0.172 -0.356) 1.015 5.975 ( 3.249 -0.145 -0.207) 3.259 5.983 ( 2.959 -0.020 -0.776) 3.059 6.070 ( 1.690 -0.257 0.623) 1.819 6.098 ( 1.924 -0.473 -0.619) 2.076 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -9.371 1.371 -0.620) 9.491 1.308 ( -5.505 2.585 -6.381) 8.815 1.547 ( -6.439 0.868 1.475) 6.663 1.591 ( -3.800 1.149 -1.211) 4.151 1.712 ( -9.500 -2.559 2.010) 10.042 1.748 ( -8.927 -2.847 -0.815) 9.405 1.795 ( -6.523 -3.947 2.067) 7.899 1.857 ( 0.593 -0.780 4.602) 4.705 1.912 ( -6.182 -3.295 -2.961) 7.606 1.999 ( -6.489 -1.439 2.766) 7.199 2.076 ( 1.451 -0.441 4.998) 5.223 2.292 ( 1.037 3.513 0.960) 3.787 2.392 ( -7.264 -0.707 1.547) 7.461 2.495 ( -9.897 2.196 -2.537) 10.450 2.657 ( -10.596 1.002 -8.369) 13.539 2.714 ( -6.710 -1.853 -10.421) 12.532 2.799 ( -8.565 1.301 0.025) 8.663 2.878 ( -4.241 0.570 -2.758) 5.091 2.890 ( 8.190 1.079 2.301) 8.575 2.988 ( 2.247 -1.026 -1.932) 3.136 3.271 ( 2.614 -0.188 7.742) 8.174 3.295 ( 2.265 -0.588 6.177) 6.606 3.935 ( -10.365 4.725 1.576) 11.500 4.029 ( -9.120 -1.345 -2.176) 9.472 4.151 ( -2.740 0.629 -0.189) 2.818 4.197 ( -2.510 -0.130 -2.264) 3.383 4.317 ( -5.429 0.107 1.099) 5.540 4.360 ( -3.255 -0.060 -0.340) 3.274 4.493 ( -5.056 0.466 0.533) 5.105 4.512 ( -2.130 -1.270 -0.186) 2.486 4.555 ( 2.565 0.429 2.525) 3.625 4.605 ( 8.299 -0.478 3.134) 8.884 4.717 ( -0.943 0.538 -5.673) 5.776 4.753 ( 4.033 -0.143 -2.770) 4.895 4.873 ( -3.055 0.529 0.897) 3.228 4.903 ( 0.197 -0.626 -1.379) 1.527 4.986 ( -5.272 2.071 0.250) 5.670 4.997 ( -3.176 0.664 0.358) 3.265 5.173 ( 5.408 -4.188 8.193) 10.673 5.405 ( 2.521 -1.861 -2.566) 4.050 5.479 ( 2.682 -1.328 2.546) 3.929 5.582 ( 1.883 -0.600 -2.274) 3.013 5.868 ( 1.043 -0.311 0.018) 1.088 5.870 ( 1.171 -0.423 -0.243) 1.269 6.033 ( 2.197 0.316 -0.445) 2.264 6.041 ( 2.963 0.418 -0.928) 3.133 6.085 ( 0.036 -0.082 1.074) 1.077 6.139 ( 2.440 -1.494 -1.431) 3.199 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -8.832 3.448 -0.466) 9.493 1.203 ( -3.488 3.939 -7.359) 9.046 1.382 ( -8.320 3.521 2.375) 9.341 1.466 ( -5.657 7.428 -1.059) 9.396 1.542 ( -9.047 -2.701 -0.578) 9.459 1.609 ( -7.075 -2.318 -3.163) 8.089 1.743 ( -2.946 -5.018 0.817) 5.876 1.795 ( -7.583 -5.850 -1.311) 9.667 1.889 ( -0.087 -1.410 4.746) 4.952 1.938 ( -2.427 -1.594 8.037) 8.546 2.083 ( -9.393 -0.726 3.742) 10.137 2.118 ( -12.036 -0.382 3.555) 12.556 2.194 ( -15.944 2.109 -3.551) 16.470 2.306 ( -3.812 0.653 1.211) 4.053 2.381 ( -8.620 0.665 0.269) 8.650 2.581 ( -7.356 -2.067 -7.967) 11.038 2.758 ( 0.194 -0.347 -7.565) 7.576 2.837 ( -0.722 0.070 -5.996) 6.040 3.030 ( 5.553 0.602 1.110) 5.695 3.042 ( 4.104 0.882 1.303) 4.396 3.329 ( 3.161 1.162 4.617) 5.714 3.345 ( 3.385 0.485 4.155) 5.381 3.730 ( -8.156 2.237 2.243) 8.750 3.845 ( -10.270 -1.430 -2.646) 10.702 4.098 ( -4.162 -1.443 -0.449) 4.428 4.126 ( -5.667 -0.259 -1.884) 5.978 4.182 ( -8.152 -0.661 2.947) 8.694 4.278 ( -4.966 -0.126 0.745) 5.023 4.362 ( -8.226 -1.539 -1.377) 8.482 4.435 ( -6.661 -0.856 -2.814) 7.281 4.581 ( -6.697 1.839 2.873) 7.516 4.612 ( -1.215 -0.307 1.244) 1.766 4.716 ( -7.999 0.929 -0.437) 8.064 4.777 ( 5.858 0.147 2.195) 6.258 4.825 ( -0.181 0.091 -5.260) 5.264 4.837 ( 2.943 -0.830 1.364) 3.348 5.000 ( 2.031 0.100 2.244) 3.028 5.058 ( 7.102 1.941 -2.686) 7.838 5.328 ( 6.915 -4.349 4.037) 9.112 5.445 ( 2.001 -0.473 -0.356) 2.086 5.593 ( 6.733 -1.655 2.403) 7.338 5.667 ( 6.514 -0.063 -1.902) 6.786 5.891 ( 1.116 -0.597 0.310) 1.303 5.896 ( 1.192 -0.360 -0.119) 1.251 6.036 ( -1.898 -0.087 0.114) 1.903 6.046 ( -1.261 0.453 -0.314) 1.376 6.122 ( 3.692 1.066 1.049) 3.984 6.223 ( 5.168 -1.185 -3.039) 6.111 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -5.447 6.129 0.759) 8.234 1.133 ( -1.168 4.511 -8.186) 9.419 1.228 ( -4.862 6.354 1.403) 8.122 1.328 ( -3.681 7.885 -1.682) 8.863 1.412 ( -5.844 -1.310 -1.612) 6.202 1.501 ( -4.979 0.794 -3.254) 6.001 1.617 ( -12.063 -1.786 1.141) 12.248 1.704 ( -5.036 -2.455 -1.744) 5.868 1.787 ( -9.670 1.875 3.533) 10.465 1.834 ( -6.437 -4.204 1.633) 7.860 1.905 ( -3.202 -1.789 4.866) 6.093 1.919 ( -6.731 -1.350 6.164) 9.226 2.056 ( -5.773 1.626 8.839) 10.682 2.152 ( -3.150 -4.046 0.060) 5.128 2.370 ( -2.220 -2.987 0.562) 3.764 2.507 ( 0.555 0.797 -13.937) 13.970 2.771 ( 0.710 -0.749 -8.409) 8.472 2.838 ( 0.213 -1.357 -5.697) 5.860 3.094 ( 3.617 0.567 4.982) 6.183 3.138 ( 4.294 0.135 3.817) 5.747 3.374 ( 2.606 1.094 2.630) 3.860 3.417 ( 4.368 2.739 0.591) 5.189 3.600 ( -5.389 -0.377 1.213) 5.536 3.668 ( -8.325 -0.666 -1.625) 8.508 3.901 ( -13.356 -0.352 0.889) 13.391 3.942 ( -13.685 -1.730 -1.160) 13.843 4.123 ( -0.027 -1.991 3.148) 3.725 4.181 ( -4.751 -1.016 2.327) 5.387 4.269 ( -3.601 -1.275 -4.326) 5.771 4.317 ( -2.765 -1.812 -3.601) 4.888 4.439 ( -5.398 -0.742 3.848) 6.671 4.551 ( -5.504 -1.211 -1.931) 5.957 4.657 ( 1.285 0.948 3.742) 4.068 4.829 ( 0.314 -0.165 -3.485) 3.503 4.852 ( 2.298 1.896 1.924) 3.546 4.908 ( 2.783 0.285 -1.047) 2.987 5.044 ( 2.339 -0.085 3.352) 4.088 5.159 ( 4.184 2.063 -2.402) 5.247 5.438 ( 2.135 -2.153 0.565) 3.084 5.500 ( 3.075 -1.379 -1.620) 3.740 5.722 ( 5.317 -1.065 4.538) 7.071 5.805 ( 6.952 -0.164 -0.487) 6.971 5.917 ( 1.189 -0.353 0.181) 1.254 5.919 ( 1.277 -0.236 0.234) 1.319 5.983 ( -2.975 0.318 0.790) 3.094 6.015 ( -2.080 -0.306 -1.117) 2.380 6.178 ( 2.745 2.231 1.861) 3.997 6.326 ( 4.433 -0.608 -4.158) 6.109 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.000 8.057 3.058) 8.618 1.096 ( -0.000 16.824 3.455) 17.175 1.129 ( -0.000 0.343 -12.304) 12.308 1.252 ( -0.000 7.477 -3.641) 8.316 1.336 ( -0.000 4.472 -0.238) 4.478 1.418 ( -0.000 7.571 -1.941) 7.816 1.497 ( 0.000 -1.868 2.164) 2.859 1.607 ( 0.000 -1.524 -3.647) 3.952 1.758 ( 0.000 -2.235 2.951) 3.702 1.787 ( 0.000 -7.162 13.153) 14.976 1.830 ( 0.000 -3.288 -0.980) 3.431 1.887 ( 0.000 -0.252 6.719) 6.724 2.017 ( 0.000 -1.432 7.292) 7.431 2.152 ( 0.000 -5.113 -0.916) 5.194 2.370 ( 0.000 -6.555 -0.051) 6.555 2.512 ( -0.000 3.376 -17.490) 17.813 2.785 ( 0.000 -0.857 -8.436) 8.479 2.853 ( 0.000 -2.312 -4.970) 5.481 3.142 ( -0.000 0.383 8.079) 8.088 3.189 ( 0.000 -0.504 5.603) 5.626 3.407 ( -0.000 1.374 0.546) 1.478 3.460 ( -0.000 1.960 -0.078) 1.962 3.514 ( -0.000 1.285 1.252) 1.794 3.579 ( -0.000 0.074 -1.720) 1.722 3.747 ( -0.000 0.510 1.040) 1.159 3.781 ( 0.000 -0.889 -0.545) 1.043 4.133 ( 0.000 -0.914 1.414) 1.684 4.150 ( 0.000 -3.471 4.039) 5.325 4.226 ( 0.000 -0.872 -3.482) 3.590 4.329 ( 0.000 -1.815 -4.225) 4.599 4.390 ( 0.000 -1.699 3.944) 4.294 4.504 ( 0.000 -2.134 -1.888) 2.850 4.666 ( -0.000 1.025 3.898) 4.031 4.833 ( 0.000 -0.170 -2.865) 2.870 4.861 ( -0.000 2.120 1.614) 2.664 4.927 ( -0.000 1.082 -2.484) 2.709 5.073 ( 0.000 -0.782 3.327) 3.418 5.189 ( -0.000 1.316 -1.537) 2.023 5.458 ( -0.000 0.343 0.550) 0.648 5.544 ( 0.000 -2.226 -3.469) 4.122 5.783 ( 0.000 -0.254 5.686) 5.691 5.894 ( 0.000 -2.657 0.872) 2.797 5.932 ( 0.000 -0.328 0.643) 0.722 5.936 ( -0.000 0.719 0.410) 0.828 5.954 ( -0.000 0.677 -0.412) 0.792 5.973 ( -0.000 0.138 -1.798) 1.804 6.193 ( -0.000 2.460 2.908) 3.809 6.377 ( 0.000 -0.747 -4.749) 4.808 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -9.053 0.000 -1.149) 9.126 1.323 ( -5.403 0.000 -8.278) 9.885 1.561 ( -4.210 0.000 1.456) 4.455 1.592 ( -1.258 0.000 1.597) 2.033 1.702 ( -8.459 0.000 1.579) 8.606 1.722 ( -10.262 0.000 0.264) 10.265 1.772 ( -8.775 0.000 1.641) 8.927 1.854 ( 1.098 -0.000 4.855) 4.977 1.891 ( -8.401 0.000 -3.385) 9.057 1.993 ( -5.939 0.000 3.512) 6.900 2.075 ( 1.345 -0.000 4.383) 4.585 2.315 ( 0.827 -0.000 -0.196) 0.850 2.386 ( -6.878 0.000 1.768) 7.101 2.508 ( -9.303 0.000 -2.727) 9.694 2.665 ( -8.783 0.000 -9.850) 13.198 2.700 ( -10.253 0.000 -8.627) 13.400 2.807 ( -9.844 0.000 -0.205) 9.846 2.882 ( -3.910 0.000 -2.756) 4.784 2.897 ( 8.499 -0.000 2.353) 8.819 2.981 ( 3.332 -0.000 -1.566) 3.681 3.270 ( 3.038 -0.000 7.688) 8.267 3.292 ( 2.361 -0.000 6.251) 6.682 3.978 ( -9.281 0.000 0.045) 9.281 4.005 ( -11.080 0.000 -1.050) 11.130 4.154 ( -3.276 0.000 0.213) 3.283 4.197 ( -2.047 0.000 -2.020) 2.876 4.318 ( -5.455 0.000 1.027) 5.551 4.359 ( -3.586 0.000 -0.155) 3.590 4.496 ( -5.867 0.000 -0.249) 5.872 4.504 ( -1.801 0.000 -0.383) 1.841 4.558 ( 2.877 -0.000 2.427) 3.763 4.603 ( 8.236 -0.000 3.604) 8.990 4.722 ( -0.817 0.000 -6.117) 6.171 4.751 ( 4.049 -0.000 -2.329) 4.671 4.877 ( -2.343 0.000 0.693) 2.443 4.900 ( -0.236 0.000 -1.229) 1.252 4.999 ( -4.908 0.000 0.186) 4.912 5.001 ( -4.553 0.000 0.507) 4.581 5.147 ( 6.201 -0.000 8.606) 10.607 5.394 ( 3.202 -0.000 -2.976) 4.371 5.472 ( 2.517 -0.000 2.679) 3.676 5.579 ( 2.017 -0.000 -2.345) 3.093 5.866 ( 0.875 -0.000 0.148) 0.887 5.868 ( 1.321 -0.000 -0.325) 1.361 6.034 ( 2.221 -0.000 -0.419) 2.260 6.044 ( 3.149 -0.000 -0.939) 3.286 6.085 ( 0.200 -0.000 0.858) 0.881 6.130 ( 2.363 -0.000 -1.220) 2.659 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -7.983 1.521 -2.307) 8.448 1.212 ( -6.506 -0.642 -10.081) 12.015 1.454 ( -5.683 6.773 3.055) 9.355 1.513 ( -6.323 -2.667 1.384) 7.001 1.536 ( -6.231 3.809 -1.181) 7.398 1.604 ( -5.273 2.761 -1.011) 6.038 1.673 ( -1.806 -7.162 -0.144) 7.388 1.728 ( -8.803 -4.556 -2.045) 10.121 1.880 ( 1.027 -0.307 5.947) 6.043 1.927 ( -2.298 -0.465 8.212) 8.540 2.077 ( -11.960 -0.307 3.129) 12.366 2.118 ( -7.991 0.232 4.463) 9.156 2.204 ( -19.844 0.081 -4.831) 20.424 2.316 ( -3.890 0.629 1.180) 4.114 2.396 ( -10.638 1.212 1.141) 10.767 2.562 ( -4.874 -1.131 -9.003) 10.299 2.755 ( -0.032 -0.155 -7.694) 7.696 2.838 ( -1.392 0.011 -5.849) 6.012 3.038 ( 4.449 0.740 1.586) 4.781 3.045 ( 4.933 -0.197 1.875) 5.281 3.336 ( 2.504 0.265 4.374) 5.047 3.351 ( 5.100 0.347 3.765) 6.349 3.767 ( -9.601 4.130 0.977) 10.497 3.815 ( -10.188 -3.734 -1.046) 10.901 4.085 ( -4.862 -0.628 -0.570) 4.935 4.126 ( -6.187 0.037 -2.486) 6.668 4.177 ( -8.229 -0.184 3.383) 8.900 4.277 ( -4.926 -0.085 1.286) 5.092 4.347 ( -8.849 -0.761 -1.839) 9.070 4.428 ( -6.330 -0.400 -3.053) 7.039 4.593 ( -9.972 0.535 1.768) 10.142 4.609 ( 0.791 -0.208 1.222) 1.470 4.725 ( -9.684 0.520 0.242) 9.701 4.777 ( 7.877 -0.037 2.601) 8.296 4.827 ( -0.084 0.093 -4.971) 4.973 4.831 ( 3.213 -0.240 2.174) 3.887 5.001 ( 2.326 0.055 2.726) 3.584 5.078 ( 7.468 1.217 -4.284) 8.695 5.290 ( 6.822 -2.035 5.191) 8.810 5.441 ( 2.472 -0.205 -0.962) 2.660 5.580 ( 6.978 -0.584 2.342) 7.384 5.668 ( 6.961 0.079 -2.191) 7.299 5.886 ( 1.166 -0.224 0.375) 1.245 5.893 ( 1.244 -0.120 -0.112) 1.255 6.036 ( -1.722 -0.020 0.120) 1.727 6.050 ( -1.780 0.166 -0.309) 1.814 6.131 ( 4.138 0.424 0.684) 4.215 6.214 ( 5.657 -0.476 -2.756) 6.311 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.778 3.949 -2.519) 6.691 1.103 ( -5.321 -4.748 -7.855) 10.609 1.339 ( -2.321 7.148 -1.462) 7.656 1.394 ( -4.499 2.826 -1.749) 5.593 1.420 ( -5.475 5.587 0.363) 7.831 1.495 ( -3.759 -0.603 -2.155) 4.374 1.584 ( -9.700 -4.171 1.284) 10.636 1.673 ( -2.837 -2.844 -2.242) 4.601 1.782 ( -8.357 -3.447 1.155) 9.114 1.829 ( -10.821 3.144 -0.346) 11.274 1.893 ( -1.057 -0.560 7.128) 7.228 1.905 ( -5.105 -0.879 7.094) 8.784 2.073 ( -8.668 0.878 7.888) 11.753 2.117 ( -2.940 -2.393 2.195) 4.381 2.358 ( -1.472 0.804 0.649) 1.798 2.511 ( 0.372 -0.285 -11.696) 11.705 2.763 ( 0.532 -0.548 -8.959) 8.991 2.826 ( -0.248 -0.790 -6.240) 6.295 3.096 ( 2.919 -0.034 5.217) 5.978 3.141 ( 4.184 0.281 4.566) 6.199 3.383 ( 2.692 0.515 2.336) 3.601 3.444 ( 4.651 1.908 -0.888) 5.105 3.603 ( -5.995 0.816 1.171) 6.163 3.656 ( -7.463 -1.336 -1.144) 7.667 3.898 ( -12.518 -0.248 0.494) 12.530 3.927 ( -13.343 -0.901 -0.894) 13.403 4.107 ( -0.291 -0.834 3.352) 3.467 4.172 ( -4.858 -0.536 2.048) 5.299 4.257 ( -1.947 -0.987 -4.131) 4.672 4.294 ( -5.683 -1.824 -3.866) 7.112 4.431 ( -6.022 -0.585 3.692) 7.088 4.537 ( -6.006 -1.033 -1.918) 6.389 4.666 ( 1.072 0.565 3.684) 3.878 4.827 ( 0.376 -0.076 -3.208) 3.231 4.871 ( 2.098 1.346 3.219) 4.072 4.910 ( 3.874 0.050 0.310) 3.887 5.046 ( 2.161 0.274 3.624) 4.228 5.189 ( 4.649 2.962 -5.208) 7.583 5.405 ( 3.352 -3.331 1.388) 4.925 5.491 ( 2.343 -0.330 -1.310) 2.704 5.708 ( 5.282 -1.086 4.586) 7.079 5.805 ( 6.139 0.066 -0.977) 6.217 5.915 ( 1.369 -0.105 0.102) 1.377 5.917 ( 1.541 -0.205 0.129) 1.559 5.989 ( -2.550 0.576 0.390) 2.644 6.011 ( -2.093 -0.329 -0.861) 2.287 6.200 ( 3.091 1.406 1.273) 3.627 6.321 ( 4.577 -0.355 -3.832) 5.980 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.000 5.595 -1.282) 5.740 1.086 ( 0.000 -6.314 -9.067) 11.048 1.256 ( -0.000 11.239 1.493) 11.338 1.320 ( -0.000 4.393 -1.400) 4.611 1.342 ( 0.000 -1.451 -3.307) 3.611 1.480 ( -0.000 1.756 -5.977) 6.230 1.485 ( -0.000 0.283 2.098) 2.117 1.602 ( -0.000 0.600 -3.827) 3.873 1.732 ( 0.000 -2.359 2.395) 3.362 1.777 ( -0.000 4.384 11.351) 12.168 1.785 ( 0.000 -4.549 -0.650) 4.596 1.886 ( 0.000 -0.133 8.905) 8.906 2.008 ( 0.000 -1.131 8.779) 8.852 2.108 ( 0.000 -2.649 0.278) 2.664 2.326 ( 0.000 -0.101 0.213) 0.236 2.535 ( 0.000 -0.152 -13.538) 13.539 2.774 ( 0.000 -0.910 -9.203) 9.248 2.831 ( 0.000 -1.525 -5.784) 5.982 3.137 ( 0.000 -0.943 7.882) 7.938 3.187 ( -0.000 0.171 6.056) 6.059 3.418 ( -0.000 0.654 0.637) 0.913 3.484 ( -0.000 2.288 -2.050) 3.072 3.527 ( -0.000 1.013 1.070) 1.473 3.579 ( -0.000 0.063 -1.280) 1.281 3.752 ( -0.000 0.370 0.526) 0.643 3.771 ( 0.000 -0.756 -0.339) 0.829 4.120 ( 0.000 -1.810 4.045) 4.431 4.125 ( 0.000 -0.468 1.452) 1.526 4.217 ( 0.000 -0.619 -3.380) 3.436 4.292 ( 0.000 -4.262 -4.148) 5.948 4.373 ( 0.000 -1.241 3.770) 3.970 4.482 ( 0.000 -1.671 -1.807) 2.461 4.675 ( -0.000 0.588 3.558) 3.607 4.831 ( 0.000 -0.073 -2.829) 2.830 4.883 ( -0.000 1.516 2.863) 3.240 4.942 ( -0.000 1.233 -0.665) 1.401 5.069 ( 0.000 -0.012 3.766) 3.766 5.215 ( -0.000 3.195 -3.706) 4.893 5.450 ( 0.000 -1.919 -0.111) 1.923 5.522 ( 0.000 -1.443 -2.398) 2.799 5.771 ( 0.000 -1.539 5.868) 6.067 5.870 ( 0.000 -1.512 0.509) 1.595 5.929 ( 0.000 -0.183 0.743) 0.766 5.943 ( -0.000 0.502 0.402) 0.643 5.961 ( -0.000 0.476 -0.403) 0.623 5.978 ( -0.000 0.530 -2.204) 2.267 6.220 ( -0.000 2.236 1.822) 2.885 6.370 ( 0.000 -0.450 -4.387) 4.410 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -4.389 0.000 -4.014) 5.948 1.071 ( -6.413 0.000 -5.729) 8.599 1.365 ( -3.608 0.000 -6.133) 7.116 1.410 ( -4.251 0.000 -2.450) 4.906 1.489 ( -3.023 0.000 1.696) 3.466 1.500 ( -12.617 0.000 -0.228) 12.619 1.533 ( -1.871 0.000 2.133) 2.837 1.654 ( -1.093 0.000 -2.729) 2.940 1.759 ( -9.361 0.000 1.132) 9.429 1.848 ( -13.660 0.000 -4.895) 14.511 1.889 ( -0.475 0.000 8.134) 8.148 1.904 ( -1.061 0.000 10.916) 10.968 2.078 ( -12.787 0.000 5.855) 14.064 2.100 ( -0.968 0.000 4.045) 4.159 2.368 ( 0.830 -0.000 0.834) 1.177 2.507 ( -1.257 0.000 -11.044) 11.115 2.760 ( 0.458 -0.000 -9.143) 9.155 2.821 ( -0.332 0.000 -6.445) 6.454 3.095 ( 2.592 -0.000 5.402) 5.991 3.142 ( 4.152 -0.000 4.800) 6.346 3.386 ( 2.727 -0.000 2.241) 3.529 3.455 ( 4.805 -0.000 -1.387) 5.001 3.611 ( -7.122 0.000 0.956) 7.186 3.646 ( -6.202 0.000 -0.642) 6.235 3.896 ( -12.202 0.000 0.333) 12.207 3.922 ( -13.240 0.000 -0.829) 13.266 4.102 ( -0.326 0.000 3.114) 3.131 4.169 ( -4.782 0.000 1.934) 5.158 4.250 ( -1.446 0.000 -4.040) 4.291 4.283 ( -6.916 0.000 -3.969) 7.973 4.428 ( -6.229 0.000 3.613) 7.202 4.531 ( -6.132 0.000 -1.915) 6.424 4.669 ( 0.954 -0.000 3.755) 3.874 4.827 ( 0.425 -0.000 -3.156) 3.184 4.879 ( 1.704 -0.000 4.564) 4.872 4.910 ( 4.466 -0.000 0.181) 4.469 5.048 ( 2.125 -0.000 3.747) 4.307 5.210 ( 5.144 -0.000 -7.577) 9.158 5.382 ( 3.360 -0.000 3.025) 4.521 5.489 ( 2.225 -0.000 -1.337) 2.596 5.702 ( 5.180 -0.000 4.491) 6.856 5.806 ( 5.824 -0.000 -1.055) 5.919 5.915 ( 0.997 -0.000 0.222) 1.021 5.915 ( 2.086 -0.000 -0.067) 2.087 5.993 ( -2.307 0.000 0.111) 2.310 6.009 ( -2.125 0.000 -0.709) 2.240 6.208 ( 3.231 -0.000 1.115) 3.418 6.319 ( 4.640 -0.000 -3.686) 5.926 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.000 2.832 -4.106) 4.987 1.018 ( 0.000 -4.404 -4.095) 6.014 1.334 ( -0.000 0.154 -7.412) 7.414 1.335 ( -0.000 2.947 0.264) 2.958 1.350 ( -0.000 1.241 -0.487) 1.333 1.470 ( 0.000 -1.879 -7.114) 7.358 1.507 ( -0.000 2.537 2.200) 3.358 1.614 ( -0.000 1.023 -3.086) 3.251 1.708 ( 0.000 -1.516 1.474) 2.115 1.738 ( 0.000 -2.982 -0.313) 2.998 1.844 ( -0.000 5.241 10.153) 11.425 1.888 ( -0.000 1.077 10.323) 10.379 1.973 ( 0.000 -4.405 8.092) 9.213 2.090 ( 0.000 -0.762 1.402) 1.596 2.363 ( -0.000 4.615 0.588) 4.652 2.510 ( 0.000 -3.243 -11.343) 11.797 2.767 ( 0.000 -0.378 -9.521) 9.528 2.820 ( 0.000 -0.403 -6.342) 6.354 3.127 ( 0.000 -0.581 7.879) 7.901 3.189 ( -0.000 0.132 6.409) 6.410 3.423 ( -0.000 0.186 0.841) 0.862 3.505 ( -0.000 1.136 -3.363) 3.550 3.535 ( -0.000 0.393 0.952) 1.030 3.580 ( -0.000 0.026 -1.032) 1.032 3.755 ( -0.000 0.133 0.227) 0.263 3.765 ( 0.000 -0.307 -0.206) 0.370 4.109 ( 0.000 -0.265 3.119) 3.130 4.122 ( 0.000 -0.125 1.464) 1.469 4.212 ( 0.000 -0.221 -3.262) 3.269 4.250 ( 0.000 -2.408 -3.896) 4.580 4.363 ( 0.000 -0.456 3.624) 3.652 4.468 ( 0.000 -0.641 -1.755) 1.868 4.679 ( -0.000 0.189 3.626) 3.631 4.831 ( -0.000 0.017 -2.934) 2.934 4.894 ( -0.000 0.482 4.796) 4.821 4.951 ( -0.000 0.370 0.121) 0.389 5.070 ( -0.000 0.117 3.877) 3.879 5.253 ( -0.000 2.691 -7.568) 8.033 5.421 ( 0.000 -2.376 1.557) 2.840 5.513 ( 0.000 -0.250 -1.679) 1.697 5.757 ( 0.000 -0.784 5.670) 5.724 5.860 ( 0.000 -0.419 0.301) 0.516 5.928 ( 0.000 -0.052 0.827) 0.828 5.947 ( -0.000 0.180 0.397) 0.436 5.965 ( -0.000 0.171 -0.398) 0.434 5.983 ( -0.000 0.270 -2.559) 2.573 6.238 ( -0.000 0.869 1.435) 1.678 6.367 ( 0.000 -0.156 -4.102) 4.105 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 0.000 -11.954) 11.954 0.491 ( 0.000 0.000 11.954) 11.954 0.696 ( 0.000 0.000 -17.360) 17.360 0.696 ( 0.000 0.000 17.360) 17.360 1.299 ( 0.000 0.000 -31.088) 31.088 1.299 ( 0.000 0.000 31.088) 31.088 1.640 ( 0.000 0.000 -4.861) 4.861 1.640 ( 0.000 0.000 4.861) 4.861 1.852 ( 0.000 0.000 -1.282) 1.282 1.852 ( 0.000 0.000 1.282) 1.282 1.927 ( 0.000 0.000 -1.412) 1.412 1.927 ( 0.000 0.000 1.412) 1.412 2.225 ( 0.000 0.000 -7.239) 7.239 2.225 ( 0.000 0.000 7.239) 7.239 2.631 ( 0.000 0.000 -1.799) 1.799 2.631 ( 0.000 0.000 1.799) 1.799 2.805 ( 0.000 0.000 -6.559) 6.559 2.805 ( 0.000 0.000 6.559) 6.559 3.195 ( 0.000 0.000 -4.900) 4.900 3.195 ( 0.000 0.000 4.900) 4.900 3.374 ( 0.000 0.000 -1.966) 1.966 3.374 ( 0.000 0.000 1.966) 1.966 3.519 ( 0.000 0.000 -2.966) 2.966 3.519 ( 0.000 0.000 2.966) 2.966 3.776 ( 0.000 0.000 -2.084) 2.084 3.776 ( 0.000 0.000 2.084) 2.084 4.204 ( 0.000 0.000 -2.148) 2.148 4.204 ( 0.000 0.000 2.148) 2.148 4.218 ( 0.000 0.000 -5.684) 5.684 4.218 ( 0.000 0.000 5.684) 5.684 4.514 ( 0.000 0.000 -3.558) 3.558 4.514 ( 0.000 0.000 3.558) 3.558 4.702 ( 0.000 0.000 -4.331) 4.331 4.702 ( 0.000 0.000 4.331) 4.331 4.882 ( 0.000 0.000 -4.063) 4.063 4.882 ( 0.000 0.000 4.063) 4.063 5.191 ( 0.000 0.000 -0.497) 0.497 5.191 ( 0.000 0.000 0.497) 0.497 5.516 ( 0.000 0.000 -3.462) 3.462 5.516 ( 0.000 0.000 3.462) 3.462 5.828 ( 0.000 0.000 -4.462) 4.462 5.828 ( 0.000 0.000 4.462) 4.462 5.921 ( 0.000 0.000 -0.627) 0.627 5.921 ( 0.000 0.000 0.627) 0.627 5.943 ( 0.000 0.000 -0.322) 0.322 5.943 ( 0.000 0.000 0.322) 0.322 6.358 ( 0.000 0.000 -1.951) 1.951 6.358 ( 0.000 0.000 1.951) 1.951 ======================= Grid point 352 (100/147) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 14.431 -3.192 -7.546) 16.595 0.668 ( 14.431 -3.192 7.546) 16.595 0.924 ( 16.200 -3.302 -13.407) 21.286 0.924 ( 16.200 -3.302 13.407) 21.286 1.393 ( 10.155 0.255 -21.143) 23.457 1.393 ( 10.155 0.255 21.143) 23.457 1.720 ( 8.279 0.001 -2.068) 8.533 1.720 ( 8.279 0.001 2.068) 8.533 1.863 ( 1.837 0.233 -0.554) 1.932 1.863 ( 1.837 0.233 0.554) 1.932 1.994 ( 5.691 -0.567 -0.959) 5.799 1.994 ( 5.691 -0.567 0.959) 5.799 2.222 ( 0.509 0.186 -7.456) 7.475 2.222 ( 0.509 0.186 7.456) 7.475 2.605 ( -0.702 5.220 -3.229) 6.178 2.605 ( -0.702 5.220 3.229) 6.178 2.764 ( -2.465 -1.401 -3.405) 4.431 2.764 ( -2.465 -1.401 3.405) 4.431 3.131 ( -5.961 0.107 -4.774) 7.638 3.131 ( -5.961 0.107 4.774) 7.638 3.364 ( -0.668 -0.787 -2.289) 2.511 3.364 ( -0.668 -0.787 2.289) 2.511 3.654 ( 9.002 0.092 -0.598) 9.022 3.654 ( 9.002 0.092 0.598) 9.022 3.965 ( 16.129 0.239 -4.569) 16.765 3.965 ( 16.129 0.239 4.569) 16.765 4.182 ( -0.526 -0.238 -3.882) 3.925 4.182 ( -0.526 -0.238 3.882) 3.925 4.271 ( 4.470 0.022 -3.440) 5.641 4.271 ( 4.470 0.022 3.440) 5.641 4.477 ( -3.077 -0.760 -3.834) 4.974 4.477 ( -3.077 -0.760 3.834) 4.974 4.735 ( 2.417 -0.085 -3.241) 4.044 4.735 ( 2.417 -0.085 3.241) 4.044 4.865 ( -1.586 0.184 -4.143) 4.440 4.865 ( -1.586 0.184 4.143) 4.440 5.153 ( -3.473 1.093 -1.046) 3.788 5.153 ( -3.473 1.093 1.046) 3.788 5.502 ( -1.542 0.015 -3.146) 3.504 5.502 ( -1.542 0.015 3.146) 3.504 5.781 ( -2.770 -0.387 -1.864) 3.361 5.781 ( -2.770 -0.387 1.864) 3.361 5.924 ( -0.292 -0.119 -0.248) 0.401 5.924 ( -0.292 -0.119 0.248) 0.401 5.983 ( 2.654 -0.164 -0.684) 2.745 5.983 ( 2.654 -0.164 0.684) 2.745 6.289 ( -5.438 0.911 -1.501) 5.714 6.289 ( -5.438 0.911 1.501) 5.714 ======================= Grid point 354 (101/147) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 14.815 -0.977 -0.519) 14.857 0.977 ( 14.815 -0.977 0.519) 14.857 1.210 ( 12.948 -3.225 -10.334) 16.877 1.210 ( 12.948 -3.225 10.334) 16.877 1.611 ( 9.866 0.596 -1.232) 9.960 1.611 ( 9.866 0.596 1.232) 9.960 1.894 ( 4.830 2.067 -1.516) 5.468 1.894 ( 4.830 2.067 1.516) 5.468 1.997 ( 15.326 -2.013 -9.186) 17.981 1.997 ( 15.326 -2.013 9.186) 17.981 2.089 ( 4.051 0.223 -1.711) 4.403 2.089 ( 4.051 0.223 1.711) 4.403 2.279 ( 5.196 -0.205 -10.201) 11.450 2.279 ( 5.196 -0.205 10.201) 11.450 2.582 ( 1.572 3.683 -3.861) 5.562 2.582 ( 1.572 3.683 3.861) 5.562 2.751 ( 0.757 0.060 -1.449) 1.636 2.751 ( 0.757 0.060 1.449) 1.636 3.000 ( -6.814 -0.150 -3.374) 7.606 3.000 ( -6.814 -0.150 3.374) 7.606 3.360 ( -0.007 -0.223 -1.769) 1.783 3.360 ( -0.007 -0.223 1.769) 1.783 3.812 ( 7.866 0.741 -1.390) 8.022 3.812 ( 7.866 0.741 1.390) 8.022 4.104 ( -1.645 -1.029 -1.617) 2.526 4.104 ( -1.645 -1.029 1.617) 2.526 4.258 ( 6.161 1.208 -3.274) 7.080 4.258 ( 6.161 1.208 3.274) 7.080 4.407 ( 3.644 -0.047 -4.416) 5.726 4.407 ( 3.644 -0.047 4.416) 5.726 4.456 ( 5.627 -3.856 -4.659) 8.261 4.456 ( 5.627 -3.856 4.659) 8.261 4.756 ( -0.870 0.588 -0.994) 1.446 4.756 ( -0.870 0.588 0.994) 1.446 4.841 ( 0.232 0.305 -4.167) 4.184 4.841 ( 0.232 0.305 4.167) 4.184 5.060 ( -5.051 1.446 -1.739) 5.534 5.060 ( -5.051 1.446 1.739) 5.534 5.462 ( -2.123 -0.329 -0.510) 2.208 5.462 ( -2.123 -0.329 0.510) 2.208 5.747 ( -1.076 1.977 -2.764) 3.564 5.747 ( -1.076 1.977 2.764) 3.564 5.924 ( 0.461 0.529 -0.372) 0.795 5.924 ( 0.461 0.529 0.372) 0.795 6.006 ( -0.575 -0.610 -0.787) 1.149 6.006 ( -0.575 -0.610 0.787) 1.149 6.196 ( -3.025 0.661 -2.495) 3.976 6.196 ( -3.025 0.661 2.495) 3.976 ======================= Grid point 356 (102/147) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 10.095 0.342 -5.563) 11.531 1.213 ( 10.095 0.342 5.563) 11.531 1.495 ( 14.656 -2.174 -2.838) 15.085 1.495 ( 14.656 -2.174 2.838) 15.085 1.752 ( 5.544 -0.606 -1.708) 5.833 1.752 ( 5.544 -0.606 1.708) 5.833 1.937 ( 1.538 2.283 -2.273) 3.570 1.937 ( 1.538 2.283 2.273) 3.570 2.162 ( 7.235 2.742 -5.874) 9.714 2.162 ( 7.235 2.742 5.874) 9.714 2.241 ( 3.164 -0.160 -2.303) 3.917 2.241 ( 3.164 -0.160 2.303) 3.917 2.423 ( 10.135 0.122 -7.328) 12.507 2.423 ( 10.135 0.122 7.328) 12.507 2.593 ( -0.188 1.143 -4.265) 4.419 2.593 ( -0.188 1.143 4.265) 4.419 2.776 ( -0.721 -0.131 -4.772) 4.828 2.776 ( -0.721 -0.131 4.772) 4.828 2.941 ( 3.806 0.007 -3.801) 5.379 2.941 ( 3.806 0.007 3.801) 5.379 3.366 ( 0.599 0.237 -1.327) 1.476 3.366 ( 0.599 0.237 1.327) 1.476 3.948 ( 6.701 0.786 -1.852) 6.996 3.948 ( 6.701 0.786 1.852) 6.996 4.056 ( -3.297 -2.758 -1.887) 4.694 4.056 ( -3.297 -2.758 1.887) 4.694 4.339 ( 3.229 0.397 -2.037) 3.838 4.339 ( 3.229 0.397 2.037) 3.838 4.403 ( -1.549 -4.140 -3.923) 5.910 4.403 ( -1.549 -4.140 3.923) 5.910 4.618 ( 3.368 -0.761 -1.550) 3.784 4.618 ( 3.368 -0.761 1.550) 3.784 4.718 ( -0.354 1.467 -1.965) 2.477 4.718 ( -0.354 1.467 1.965) 2.477 4.880 ( 3.518 -0.161 -1.886) 3.994 4.880 ( 3.518 -0.161 1.886) 3.994 4.964 ( -3.731 0.471 -2.451) 4.489 4.964 ( -3.731 0.471 2.451) 4.489 5.446 ( 0.624 0.708 -2.827) 2.980 5.446 ( 0.624 0.708 2.827) 2.980 5.697 ( -2.386 3.891 -3.030) 5.478 5.697 ( -2.386 3.891 3.030) 5.478 5.916 ( -1.117 2.008 -0.567) 2.367 5.916 ( -1.117 2.008 0.567) 2.367 5.993 ( -0.641 -1.330 -0.473) 1.550 5.993 ( -0.641 -1.330 0.473) 1.550 6.160 ( -1.017 0.680 -2.038) 2.377 6.160 ( -1.017 0.680 2.038) 2.377 ======================= Grid point 358 (103/147) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 7.858 0.067 -4.634) 9.123 1.380 ( 7.858 0.067 4.634) 9.123 1.755 ( 10.990 -0.012 -1.155) 11.050 1.755 ( 10.990 -0.012 1.155) 11.050 1.812 ( -0.339 -0.552 -0.436) 0.781 1.812 ( -0.339 -0.552 0.436) 0.781 1.987 ( 5.948 0.797 -1.454) 6.174 1.987 ( 5.948 0.797 1.454) 6.174 2.199 ( -2.485 3.146 -2.249) 4.597 2.199 ( -2.485 3.146 2.249) 4.597 2.322 ( 7.174 2.521 -4.704) 8.942 2.322 ( 7.174 2.521 4.704) 8.942 2.506 ( 0.618 3.222 -8.339) 8.961 2.506 ( 0.618 3.222 8.339) 8.961 2.618 ( 2.905 -1.349 -3.543) 4.776 2.618 ( 2.905 -1.349 3.543) 4.776 2.726 ( -3.255 -1.101 -2.993) 4.557 2.726 ( -3.255 -1.101 2.993) 4.557 3.088 ( 7.704 -0.312 -5.568) 9.511 3.088 ( 7.704 -0.312 5.568) 9.511 3.373 ( 0.069 0.924 -1.376) 1.658 3.373 ( 0.069 0.924 1.376) 1.658 3.981 ( -3.729 -4.357 -1.388) 5.900 3.981 ( -3.729 -4.357 1.388) 5.900 4.108 ( 6.767 -1.283 -3.132) 7.566 4.108 ( 6.767 -1.283 3.132) 7.566 4.364 ( -0.624 -3.440 -3.194) 4.735 4.364 ( -0.624 -3.440 3.194) 4.735 4.433 ( 3.312 -0.367 -1.489) 3.649 4.433 ( 3.312 -0.367 1.489) 3.649 4.593 ( -2.255 1.306 -2.976) 3.956 4.593 ( -2.255 1.306 2.976) 3.956 4.743 ( 2.093 2.856 -2.380) 4.267 4.743 ( 2.093 2.856 2.380) 4.267 4.917 ( -0.301 0.068 -1.581) 1.611 4.917 ( -0.301 0.068 1.581) 1.611 4.964 ( 2.645 -3.023 -1.116) 4.168 4.964 ( 2.645 -3.023 1.116) 4.168 5.456 ( 0.135 3.032 -4.338) 5.294 5.456 ( 0.135 3.032 4.338) 5.294 5.635 ( -0.967 2.895 -2.925) 4.227 5.635 ( -0.967 2.895 2.925) 4.227 5.873 ( -1.968 1.138 -0.812) 2.414 5.873 ( -1.968 1.138 0.812) 2.414 5.982 ( -1.297 0.174 -0.448) 1.383 5.982 ( -1.297 0.174 0.448) 1.383 6.131 ( -1.769 0.971 -1.203) 2.349 6.131 ( -1.769 0.971 1.203) 2.349 ======================= Grid point 360 (104/147) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 6.035 -0.408 -2.259) 6.457 1.515 ( 6.035 -0.408 2.259) 6.457 1.768 ( -3.090 0.240 -0.818) 3.206 1.768 ( -3.090 0.240 0.818) 3.206 1.915 ( 6.115 1.326 -1.024) 6.341 1.915 ( 6.115 1.326 1.024) 6.341 2.079 ( 0.632 3.956 -1.269) 4.202 2.079 ( 0.632 3.956 1.269) 4.202 2.143 ( 0.240 -0.334 -0.781) 0.883 2.143 ( 0.240 -0.334 0.781) 0.883 2.403 ( 4.303 1.374 -3.778) 5.889 2.403 ( 4.303 1.374 3.778) 5.889 2.533 ( 2.588 2.290 -6.287) 7.175 2.533 ( 2.588 2.290 6.287) 7.175 2.667 ( -0.700 -4.174 -5.732) 7.125 2.667 ( -0.700 -4.174 5.732) 7.125 2.695 ( 2.340 2.022 -4.372) 5.355 2.695 ( 2.340 2.022 4.372) 5.355 3.182 ( 1.894 -0.163 -4.014) 4.442 3.182 ( 1.894 -0.163 4.014) 4.442 3.346 ( -2.049 1.402 -1.705) 3.011 3.346 ( -2.049 1.402 1.705) 3.011 3.912 ( -6.052 -4.740 -0.563) 7.708 3.912 ( -6.052 -4.740 0.563) 7.708 4.221 ( 3.224 -0.612 -1.454) 3.589 4.221 ( 3.224 -0.612 1.454) 3.589 4.435 ( 6.390 -3.768 -1.341) 7.539 4.435 ( 6.390 -3.768 1.341) 7.539 4.500 ( 3.449 0.439 -0.770) 3.561 4.500 ( 3.449 0.439 0.770) 3.561 4.576 ( 1.552 0.569 -3.601) 3.963 4.576 ( 1.552 0.569 3.601) 3.963 4.748 ( 0.343 3.141 -3.016) 4.368 4.748 ( 0.343 3.141 3.016) 4.368 4.930 ( 1.312 -0.440 -1.896) 2.347 4.930 ( 1.312 -0.440 1.896) 2.347 5.006 ( -0.308 -2.706 -2.160) 3.476 5.006 ( -0.308 -2.706 2.160) 3.476 5.387 ( -4.346 4.268 -3.289) 6.922 5.387 ( -4.346 4.268 3.289) 6.922 5.651 ( 2.905 0.683 -2.061) 3.627 5.651 ( 2.905 0.683 2.061) 3.627 5.836 ( -1.306 0.618 -1.146) 1.845 5.836 ( -1.306 0.618 1.146) 1.845 5.944 ( -2.072 0.648 -0.264) 2.187 5.944 ( -2.072 0.648 0.264) 2.187 6.079 ( -2.905 1.159 -0.710) 3.207 6.079 ( -2.905 1.159 0.710) 3.207 ======================= Grid point 362 (105/147) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 2.820 -0.210 -1.515) 3.208 1.606 ( 2.820 -0.210 1.515) 3.208 1.716 ( -1.697 0.088 -0.544) 1.784 1.716 ( -1.697 0.088 0.544) 1.784 1.984 ( 1.903 0.941 -1.226) 2.451 1.984 ( 1.903 0.941 1.226) 2.451 2.030 ( -1.498 1.863 -1.644) 2.902 2.030 ( -1.498 1.863 1.644) 2.902 2.154 ( -0.058 -0.207 -3.167) 3.174 2.154 ( -0.058 -0.207 3.167) 3.174 2.492 ( 3.527 0.661 -0.719) 3.659 2.492 ( 3.527 0.661 0.719) 3.659 2.551 ( 0.828 0.633 -9.905) 9.959 2.551 ( 0.828 0.633 9.905) 9.959 2.659 ( -0.671 -2.060 -5.138) 5.576 2.659 ( -0.671 -2.060 5.138) 5.576 2.755 ( 2.253 0.277 -1.209) 2.571 2.755 ( 2.253 0.277 1.209) 2.571 3.178 ( -1.019 0.914 -2.682) 3.011 3.178 ( -1.019 0.914 2.682) 3.011 3.308 ( -0.846 0.544 -0.609) 1.176 3.308 ( -0.846 0.544 0.609) 1.176 3.831 ( -3.389 -2.159 -0.930) 4.124 3.831 ( -3.389 -2.159 0.930) 4.124 4.254 ( 0.622 -0.301 -0.203) 0.721 4.254 ( 0.622 -0.301 0.203) 0.721 4.505 ( 0.755 0.405 -0.327) 0.917 4.505 ( 0.755 0.405 0.327) 0.917 4.597 ( 2.692 -0.443 -4.168) 4.981 4.597 ( 2.692 -0.443 4.168) 4.981 4.658 ( 5.201 -1.754 -2.163) 5.899 4.658 ( 5.201 -1.754 2.163) 5.899 4.740 ( 1.587 1.509 -3.295) 3.957 4.740 ( 1.587 1.509 3.295) 3.957 4.950 ( -0.959 -0.719 -0.969) 1.542 4.950 ( -0.959 -0.719 0.969) 1.542 4.981 ( -1.818 -0.328 -1.700) 2.511 4.981 ( -1.818 -0.328 1.700) 2.511 5.290 ( -2.747 1.909 -1.659) 3.734 5.290 ( -2.747 1.909 1.659) 3.734 5.700 ( 1.712 0.056 -1.533) 2.299 5.700 ( 1.712 0.056 1.533) 2.299 5.820 ( -0.127 0.225 -1.100) 1.130 5.820 ( -0.127 0.225 1.100) 1.130 5.908 ( -1.121 0.379 -0.255) 1.211 5.908 ( -1.121 0.379 0.255) 1.211 6.023 ( -1.841 0.581 -0.347) 1.962 6.023 ( -1.841 0.581 0.347) 1.962 ======================= Grid point 378 (106/147) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 15.809 -0.000 -0.138) 15.810 0.972 ( 15.809 -0.000 0.138) 15.810 1.191 ( 13.320 -0.000 -10.836) 17.170 1.191 ( 13.320 -0.000 10.836) 17.170 1.615 ( 9.603 -0.000 -1.647) 9.743 1.615 ( 9.603 -0.000 1.647) 9.743 1.907 ( 5.427 -0.000 -0.165) 5.429 1.907 ( 5.427 -0.000 0.165) 5.429 1.984 ( 15.621 -0.000 -9.875) 18.481 1.984 ( 15.621 -0.000 9.875) 18.481 2.090 ( 3.937 -0.000 -1.176) 4.109 2.090 ( 3.937 -0.000 1.176) 4.109 2.278 ( 5.338 -0.000 -10.240) 11.548 2.278 ( 5.338 -0.000 10.240) 11.548 2.604 ( -0.271 0.000 -3.196) 3.208 2.604 ( -0.271 0.000 3.196) 3.208 2.751 ( 1.660 -0.000 -1.345) 2.137 2.751 ( 1.660 -0.000 1.345) 2.137 3.000 ( -6.962 0.000 -3.783) 7.923 3.000 ( -6.962 0.000 3.783) 7.923 3.359 ( 0.201 -0.000 -1.748) 1.760 3.359 ( 0.201 -0.000 1.748) 1.760 3.816 ( 7.992 -0.000 -1.646) 8.160 3.816 ( 7.992 -0.000 1.646) 8.160 4.098 ( -1.817 0.000 -0.566) 1.903 4.098 ( -1.817 0.000 0.566) 1.903 4.267 ( 6.169 -0.000 -3.756) 7.222 4.267 ( 6.169 -0.000 3.756) 7.222 4.407 ( -3.120 0.000 -3.049) 4.362 4.407 ( -3.120 0.000 3.049) 4.362 4.433 ( 11.859 -0.000 -3.711) 12.426 4.433 ( 11.859 -0.000 3.711) 12.426 4.760 ( -1.088 0.000 -0.271) 1.122 4.760 ( -1.088 0.000 0.271) 1.122 4.843 ( 0.463 -0.000 -4.400) 4.425 4.843 ( 0.463 -0.000 4.400) 4.425 5.069 ( -5.306 0.000 -1.771) 5.594 5.069 ( -5.306 0.000 1.771) 5.594 5.460 ( -2.001 0.000 -0.446) 2.051 5.460 ( -2.001 0.000 0.446) 2.051 5.758 ( -0.518 0.000 -2.793) 2.840 5.758 ( -0.518 0.000 2.793) 2.840 5.927 ( 0.990 -0.000 -0.577) 1.146 5.927 ( 0.990 -0.000 0.577) 1.146 6.002 ( -0.919 0.000 -1.014) 1.368 6.002 ( -0.919 0.000 1.014) 1.368 6.200 ( -3.202 0.000 -0.678) 3.273 6.200 ( -3.202 0.000 0.678) 3.273 ======================= Grid point 380 (107/147) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 10.059 0.214 -6.768) 12.126 1.216 ( 10.059 0.214 6.768) 12.126 1.476 ( 15.707 -0.972 -2.444) 15.926 1.476 ( 15.707 -0.972 2.444) 15.926 1.747 ( 5.082 -0.252 -1.685) 5.360 1.747 ( 5.082 -0.252 1.685) 5.360 1.957 ( 0.771 0.980 -2.676) 2.953 1.957 ( 0.771 0.980 2.676) 2.953 2.180 ( 7.858 0.681 -2.770) 8.360 2.180 ( 7.858 0.681 2.770) 8.360 2.241 ( 4.391 0.123 -2.251) 4.936 2.241 ( 4.391 0.123 2.251) 4.936 2.423 ( 10.808 -0.022 -6.890) 12.818 2.423 ( 10.808 -0.022 6.890) 12.818 2.603 ( -0.333 0.513 -4.102) 4.148 2.603 ( -0.333 0.513 4.102) 4.148 2.776 ( -2.140 0.048 -4.672) 5.139 2.776 ( -2.140 0.048 4.672) 5.139 2.942 ( 4.229 0.022 -3.630) 5.573 2.942 ( 4.229 0.022 3.630) 5.573 3.368 ( 0.769 0.101 -1.381) 1.583 3.368 ( 0.769 0.101 1.381) 1.583 3.956 ( 6.432 0.508 -1.033) 6.535 3.956 ( 6.432 0.508 1.033) 6.535 4.033 ( -4.164 -1.158 -1.445) 4.557 4.033 ( -4.164 -1.158 1.445) 4.557 4.346 ( 0.903 0.865 -2.860) 3.122 4.346 ( 0.903 0.865 2.860) 3.122 4.365 ( 0.687 -2.385 -3.309) 4.136 4.365 ( 0.687 -2.385 3.309) 4.136 4.612 ( 3.876 -0.280 -0.688) 3.947 4.612 ( 3.876 -0.280 0.688) 3.947 4.729 ( 0.561 0.489 -2.649) 2.751 4.729 ( 0.561 0.489 2.649) 2.751 4.879 ( 2.661 -0.023 -1.997) 3.327 4.879 ( 2.661 -0.023 1.997) 3.327 4.968 ( -4.464 0.206 -2.300) 5.026 4.968 ( -4.464 0.206 2.300) 5.026 5.451 ( 1.135 0.198 -2.337) 2.605 5.451 ( 1.135 0.198 2.337) 2.605 5.726 ( -2.525 1.350 -3.272) 4.348 5.726 ( -2.525 1.350 3.272) 4.348 5.938 ( -1.506 1.662 -0.780) 2.375 5.938 ( -1.506 1.662 0.780) 2.375 5.977 ( 0.127 -1.290 -0.391) 1.354 5.977 ( 0.127 -1.290 0.391) 1.354 6.165 ( -1.034 0.222 -0.880) 1.376 6.165 ( -1.034 0.222 0.880) 1.376 ======================= Grid point 382 (108/147) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 7.614 0.026 -5.403) 9.336 1.381 ( 7.614 0.026 5.403) 9.336 1.753 ( 11.570 -0.163 -0.481) 11.581 1.753 ( 11.570 -0.163 0.481) 11.581 1.806 ( 0.347 -0.514 -0.331) 0.703 1.806 ( 0.347 -0.514 0.331) 0.703 1.993 ( 5.250 0.295 -2.407) 5.783 1.993 ( 5.250 0.295 2.407) 5.783 2.227 ( -2.463 1.752 -1.483) 3.366 2.227 ( -2.463 1.752 1.483) 3.366 2.346 ( 7.786 1.627 -4.439) 9.109 2.346 ( 7.786 1.627 4.439) 9.109 2.544 ( 0.161 3.215 -5.266) 6.172 2.544 ( 0.161 3.215 5.266) 6.172 2.602 ( 2.166 -1.528 -1.639) 3.116 2.602 ( 2.166 -1.528 1.639) 3.116 2.718 ( -2.256 -0.452 -4.686) 5.220 2.718 ( -2.256 -0.452 4.686) 5.220 3.084 ( 7.247 -0.382 -6.553) 9.778 3.084 ( 7.247 -0.382 6.553) 9.778 3.381 ( 0.294 0.460 -1.683) 1.769 3.381 ( 0.294 0.460 1.683) 1.769 3.940 ( -4.601 -2.714 -0.792) 5.400 3.940 ( -4.601 -2.714 0.792) 5.400 4.098 ( 6.939 -0.492 -2.868) 7.525 4.098 ( 6.939 -0.492 2.868) 7.525 4.331 ( -0.840 -2.243 -3.445) 4.195 4.331 ( -0.840 -2.243 3.445) 4.195 4.432 ( 3.921 -0.011 -1.238) 4.112 4.432 ( 3.921 -0.011 1.238) 4.112 4.605 ( -1.540 0.811 -2.696) 3.209 4.605 ( -1.540 0.811 2.696) 3.209 4.770 ( 2.356 1.937 -2.829) 4.160 4.770 ( 2.356 1.937 2.829) 4.160 4.915 ( -0.983 -0.446 -1.572) 1.907 4.915 ( -0.983 -0.446 1.572) 1.907 4.936 ( 2.397 -1.659 -1.275) 3.181 4.936 ( 2.397 -1.659 1.275) 3.181 5.480 ( 1.145 1.386 -3.906) 4.300 5.480 ( 1.145 1.386 3.906) 4.300 5.661 ( -2.432 1.733 -2.963) 4.207 5.661 ( -2.432 1.733 2.963) 4.207 5.885 ( -2.473 0.838 -0.559) 2.670 5.885 ( -2.473 0.838 0.559) 2.670 5.983 ( -0.753 0.083 -0.533) 0.926 5.983 ( -0.753 0.083 0.533) 0.926 6.140 ( -1.683 0.509 -0.888) 1.970 6.140 ( -1.683 0.509 0.888) 1.970 ======================= Grid point 384 (109/147) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 5.916 -0.262 -2.321) 6.360 1.511 ( 5.916 -0.262 2.321) 6.360 1.767 ( -2.905 -0.183 -0.537) 2.959 1.767 ( -2.905 -0.183 0.537) 2.959 1.925 ( 6.108 0.480 -1.007) 6.209 1.925 ( 6.108 0.480 1.007) 6.209 2.114 ( 3.824 1.636 -2.332) 4.768 2.114 ( 3.824 1.636 2.332) 4.768 2.157 ( -1.617 3.002 -0.707) 3.482 2.157 ( -1.617 3.002 0.707) 3.482 2.420 ( 2.972 1.787 -3.598) 4.998 2.420 ( 2.972 1.787 3.598) 4.998 2.548 ( 1.165 0.011 -5.012) 5.146 2.548 ( 1.165 0.011 5.012) 5.146 2.626 ( -0.950 -2.616 -6.405) 6.984 2.626 ( -0.950 -2.616 6.405) 6.984 2.711 ( 1.666 0.756 -5.400) 5.701 2.711 ( 1.666 0.756 5.400) 5.701 3.180 ( 2.820 -0.111 -4.876) 5.634 3.180 ( 2.820 -0.111 4.876) 5.634 3.359 ( -2.045 0.923 -1.710) 2.821 3.359 ( -2.045 0.923 1.710) 2.821 3.866 ( -5.004 -3.281 -0.903) 6.051 3.866 ( -5.004 -3.281 0.903) 6.051 4.220 ( 4.044 0.333 -1.778) 4.430 4.220 ( 4.044 0.333 1.778) 4.430 4.390 ( 6.582 -3.845 -2.777) 8.113 4.390 ( 6.582 -3.845 2.777) 8.113 4.505 ( 3.629 0.374 -0.692) 3.713 4.505 ( 3.629 0.374 0.692) 3.713 4.586 ( 0.369 0.970 -3.400) 3.555 4.586 ( 0.369 0.970 3.400) 3.555 4.782 ( 0.293 2.839 -2.639) 3.887 4.782 ( 0.293 2.839 2.639) 3.887 4.922 ( 0.969 -0.995 -2.018) 2.450 4.922 ( 0.969 -0.995 2.018) 2.450 4.979 ( 0.563 -2.084 -1.896) 2.873 4.979 ( 0.563 -2.084 1.896) 2.873 5.428 ( -4.998 2.906 -2.970) 6.500 5.428 ( -4.998 2.906 2.970) 6.500 5.657 ( 2.288 0.422 -1.633) 2.842 5.657 ( 2.288 0.422 1.633) 2.842 5.842 ( -1.543 0.474 -1.177) 1.998 5.842 ( -1.543 0.474 1.177) 1.998 5.951 ( -2.055 0.513 -0.305) 2.140 5.951 ( -2.055 0.513 0.305) 2.140 6.091 ( -3.027 0.800 -0.779) 3.227 6.091 ( -3.027 0.800 0.779) 3.227 ======================= Grid point 386 (110/147) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 3.200 -0.139 -1.349) 3.476 1.604 ( 3.200 -0.139 1.349) 3.476 1.716 ( -1.939 -0.028 -0.498) 2.002 1.716 ( -1.939 -0.028 0.498) 2.002 1.993 ( 1.577 0.686 -0.993) 1.986 1.993 ( 1.577 0.686 0.993) 1.986 2.057 ( -3.382 2.645 -1.098) 4.432 2.057 ( -3.382 2.645 1.098) 4.432 2.168 ( 1.034 2.899 -3.971) 5.024 2.168 ( 1.034 2.899 3.971) 5.024 2.499 ( 3.352 0.391 -0.657) 3.438 2.499 ( 3.352 0.391 0.657) 3.438 2.552 ( -0.405 -0.671 -9.039) 9.073 2.552 ( -0.405 -0.671 9.039) 9.073 2.629 ( 0.805 -3.027 -6.841) 7.524 2.629 ( 0.805 -3.027 6.841) 7.524 2.735 ( -0.708 -3.152 -3.363) 4.663 2.735 ( -0.708 -3.152 3.363) 4.663 3.199 ( -0.040 2.455 -2.211) 3.305 3.199 ( -0.040 2.455 2.211) 3.305 3.315 ( -1.482 0.731 -0.803) 1.837 3.315 ( -1.482 0.731 0.803) 1.837 3.812 ( -0.964 -1.281 -0.923) 1.850 3.812 ( -0.964 -1.281 0.923) 1.850 4.259 ( 1.366 1.040 -0.595) 1.817 4.259 ( 1.366 1.040 0.595) 1.817 4.504 ( 0.945 -0.499 -0.174) 1.082 4.504 ( 0.945 -0.499 0.174) 1.082 4.589 ( 2.698 -0.974 -3.649) 4.642 4.589 ( 2.698 -0.974 3.649) 4.642 4.636 ( 6.256 -1.881 -2.992) 7.185 4.636 ( 6.256 -1.880 2.992) 7.185 4.758 ( -0.843 1.622 -3.398) 3.858 4.758 ( -0.843 1.622 3.398) 3.858 4.940 ( -0.608 -1.076 -2.033) 2.379 4.940 ( -0.608 -1.076 2.033) 2.379 4.980 ( -0.327 0.111 -1.366) 1.409 4.980 ( -0.327 0.111 1.366) 1.409 5.311 ( -4.594 1.665 -1.571) 5.133 5.311 ( -4.594 1.665 1.571) 5.133 5.701 ( 1.612 0.074 -1.253) 2.043 5.701 ( 1.612 0.074 1.253) 2.043 5.822 ( -0.393 0.173 -1.260) 1.331 5.822 ( -0.393 0.173 1.260) 1.331 5.913 ( -1.361 0.465 -0.229) 1.457 5.913 ( -1.361 0.465 0.229) 1.457 6.028 ( -2.493 0.370 -0.398) 2.551 6.028 ( -2.493 0.370 0.398) 2.551 ======================= Grid point 388 (111/147) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -2.585 0.195 -1.574) 3.033 1.608 ( -2.585 0.195 1.574) 3.033 1.715 ( 1.468 -0.012 -0.479) 1.544 1.715 ( 1.468 -0.012 0.479) 1.544 1.976 ( -3.207 -0.387 -1.409) 3.525 1.976 ( -3.207 -0.387 1.409) 3.525 2.016 ( 0.190 -0.827 -1.682) 1.884 2.016 ( 0.190 -0.827 1.682) 1.884 2.171 ( 0.936 2.866 -2.718) 4.059 2.171 ( 0.936 2.866 2.718) 4.059 2.485 ( -3.955 -0.597 -0.998) 4.122 2.485 ( -3.955 -0.597 0.998) 4.122 2.540 ( -1.661 -1.295 -10.305) 10.518 2.540 ( -1.661 -1.295 10.305) 10.518 2.670 ( 0.514 -0.887 -6.238) 6.322 2.670 ( 0.514 -0.887 6.238) 6.322 2.729 ( -1.563 -3.336 -3.337) 4.971 2.729 ( -1.563 -3.336 3.337) 4.971 3.182 ( 0.414 1.321 -1.840) 2.303 3.182 ( 0.414 1.321 1.840) 2.303 3.303 ( 0.258 -0.337 -0.312) 0.527 3.303 ( 0.258 -0.337 0.312) 0.527 3.859 ( 5.737 2.574 -0.912) 6.354 3.859 ( 5.737 2.574 0.912) 6.354 4.266 ( 0.148 1.893 -0.155) 1.905 4.266 ( 0.148 1.893 0.155) 1.905 4.496 ( -1.582 -1.064 -0.687) 2.026 4.496 ( -1.582 -1.064 0.687) 2.026 4.598 ( -2.136 -0.301 -4.001) 4.546 4.598 ( -2.136 -0.301 4.001) 4.546 4.671 ( -3.012 0.561 -1.341) 3.345 4.671 ( -3.012 0.561 1.341) 3.345 4.726 ( -3.659 -1.002 -2.906) 4.778 4.726 ( -3.659 -1.002 2.906) 4.778 4.956 ( 0.974 0.406 -0.283) 1.092 4.956 ( 0.974 0.406 0.283) 1.092 4.987 ( 2.930 0.686 -1.923) 3.572 4.987 ( 2.930 0.686 1.923) 3.572 5.270 ( 0.618 -1.650 -1.535) 2.337 5.270 ( 0.618 -1.650 1.535) 2.337 5.700 ( -1.867 -0.012 -1.670) 2.505 5.700 ( -1.867 -0.012 1.670) 2.505 5.817 ( -0.147 -0.234 -0.894) 0.935 5.817 ( -0.147 -0.234 0.894) 0.935 5.905 ( 0.783 -0.164 -0.250) 0.838 5.905 ( 0.783 -0.164 0.250) 0.838 6.016 ( 1.224 -0.695 -0.308) 1.441 6.016 ( 1.224 -0.695 0.308) 1.441 ======================= Grid point 390 (112/147) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -6.161 0.461 -2.111) 6.529 1.520 ( -6.161 0.461 2.111) 6.529 1.760 ( 2.701 -1.229 -0.950) 3.115 1.760 ( 2.701 -1.229 0.950) 3.115 1.897 ( -5.873 -1.656 -0.616) 6.133 1.897 ( -5.873 -1.656 0.616) 6.133 2.039 ( 0.027 -2.874 -2.618) 3.887 2.039 ( 0.027 -2.874 2.618) 3.887 2.157 ( -1.207 2.074 -1.456) 2.807 2.157 ( -1.207 2.074 1.456) 2.807 2.388 ( -5.341 -1.233 -3.026) 6.262 2.388 ( -5.341 -1.233 3.026) 6.262 2.504 ( -3.338 -2.586 -6.579) 7.818 2.504 ( -3.338 -2.586 6.579) 7.818 2.665 ( -2.021 -3.023 -4.477) 5.768 2.665 ( -2.021 -3.023 4.477) 5.768 2.714 ( 1.287 3.834 -4.984) 6.418 2.714 ( 1.287 3.834 4.984) 6.418 3.183 ( -1.544 -0.045 -3.104) 3.467 3.183 ( -1.544 -0.045 3.104) 3.467 3.329 ( 1.747 -1.512 -1.479) 2.743 3.329 ( 1.747 -1.512 1.479) 2.743 3.968 ( 6.848 4.977 -0.856) 8.509 3.968 ( 6.848 4.977 0.856) 8.509 4.234 ( -2.788 1.881 -1.116) 3.543 4.234 ( -2.788 1.881 1.116) 3.543 4.456 ( -3.849 -0.578 -0.652) 3.946 4.456 ( -3.849 -0.578 0.652) 3.946 4.507 ( -4.558 2.040 -1.310) 5.162 4.507 ( -4.558 2.040 1.310) 5.162 4.577 ( -2.970 0.995 -4.155) 5.203 4.577 ( -2.970 0.995 4.155) 5.203 4.713 ( -0.500 -3.199 -3.332) 4.646 4.713 ( -0.500 -3.199 3.332) 4.646 4.932 ( -1.679 0.045 -1.661) 2.362 4.932 ( -1.679 0.045 1.661) 2.362 5.037 ( 1.207 2.600 -2.317) 3.686 5.037 ( 1.207 2.600 2.317) 3.686 5.335 ( 3.292 -4.833 -3.572) 6.852 5.335 ( 3.292 -4.833 3.572) 6.852 5.643 ( -3.626 -0.799 -2.254) 4.344 5.643 ( -3.626 -0.799 2.254) 4.344 5.829 ( 1.114 -0.599 -0.915) 1.561 5.829 ( 1.114 -0.599 0.915) 1.561 5.937 ( 2.065 -0.608 -0.121) 2.156 5.937 ( 2.065 -0.608 0.121) 2.156 6.066 ( 2.771 -1.274 -0.685) 3.126 6.066 ( 2.771 -1.274 0.685) 3.126 ======================= Grid point 392 (113/147) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -8.136 0.004 -3.580) 8.888 1.380 ( -8.136 0.004 3.580) 8.888 1.746 ( -9.683 -1.845 -2.225) 10.105 1.746 ( -9.683 -1.845 2.225) 10.105 1.822 ( 1.112 1.314 -1.271) 2.140 1.822 ( 1.112 1.314 1.271) 2.140 1.974 ( -6.683 -1.466 -0.349) 6.851 1.974 ( -6.683 -1.466 0.349) 6.851 2.159 ( 0.366 -3.849 -2.681) 4.705 2.159 ( 0.366 -3.849 2.681) 4.705 2.293 ( -6.075 -2.506 -5.365) 8.483 2.293 ( -6.075 -2.506 5.365) 8.483 2.478 ( -0.060 -1.522 -9.766) 9.884 2.478 ( -0.060 -1.522 9.766) 9.884 2.630 ( -2.728 0.725 -5.809) 6.459 2.630 ( -2.728 0.725 5.809) 6.459 2.744 ( 3.351 2.240 -3.133) 5.105 2.744 ( 3.351 2.240 3.133) 5.105 3.090 ( -8.210 -0.165 -4.349) 9.292 3.090 ( -8.210 -0.165 4.349) 9.292 3.360 ( 0.352 -1.315 -1.014) 1.697 3.360 ( 0.352 -1.315 1.014) 1.697 4.032 ( 1.952 4.402 -1.262) 4.978 4.032 ( 1.952 4.402 1.262) 4.978 4.128 ( -5.933 2.347 -2.600) 6.890 4.128 ( -5.933 2.347 2.600) 6.890 4.398 ( -1.431 1.991 -2.750) 3.684 4.398 ( -1.431 1.991 2.750) 3.684 4.446 ( -0.745 2.213 -2.227) 3.227 4.446 ( -0.745 2.213 2.227) 3.227 4.579 ( 2.865 -1.107 -3.530) 4.680 4.579 ( 2.865 -1.107 3.530) 4.680 4.709 ( -2.043 -3.179 -3.164) 4.929 4.709 ( -2.043 -3.179 3.164) 4.929 4.914 ( -0.221 -0.541 -1.757) 1.852 4.914 ( -0.221 -0.541 1.757) 1.852 5.001 ( -2.861 3.486 -0.909) 4.601 5.001 ( -2.861 3.486 0.909) 4.601 5.411 ( 1.075 -4.851 -4.885) 6.968 5.411 ( 1.075 -4.851 4.885) 6.968 5.601 ( -0.966 -2.911 -2.854) 4.190 5.601 ( -0.966 -2.911 2.854) 4.190 5.861 ( 1.629 -0.992 -0.748) 2.049 5.861 ( 1.629 -0.992 0.748) 2.049 5.980 ( 1.852 -0.238 -0.286) 1.889 5.980 ( 1.852 -0.238 0.286) 1.889 6.119 ( 1.834 -1.267 -1.301) 2.581 6.119 ( 1.834 -1.267 1.301) 2.581 ======================= Grid point 394 (114/147) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -9.743 0.001 -3.804) 10.459 1.210 ( -9.743 0.001 3.804) 10.459 1.519 ( -13.136 1.955 -2.790) 13.571 1.519 ( -13.136 1.955 2.790) 13.571 1.759 ( -6.671 0.551 -1.534) 6.867 1.759 ( -6.671 0.551 1.534) 6.867 1.911 ( -1.796 -2.178 -1.913) 3.410 1.911 ( -1.796 -2.178 1.913) 3.410 2.117 ( -6.084 -5.131 -5.887) 9.899 2.117 ( -6.084 -5.131 5.887) 9.899 2.244 ( -1.443 0.420 -1.014) 1.813 2.244 ( -1.443 0.420 1.014) 1.813 2.420 ( -9.463 -0.229 -7.141) 11.857 2.420 ( -9.463 -0.229 7.141) 11.857 2.581 ( -1.064 -0.882 -4.336) 4.551 2.581 ( -1.064 -0.882 4.336) 4.551 2.781 ( -0.926 0.711 -4.315) 4.470 2.781 ( -0.926 0.711 4.315) 4.470 2.942 ( -2.940 0.078 -3.979) 4.948 2.942 ( -2.940 0.078 3.979) 4.948 3.363 ( -0.236 -0.297 -1.191) 1.250 3.363 ( -0.236 -0.297 1.191) 1.250 3.942 ( -7.544 -0.160 -3.323) 8.245 3.942 ( -7.544 -0.160 3.323) 8.245 4.090 ( 2.100 3.210 -2.701) 4.691 4.090 ( 2.100 3.210 2.701) 4.691 4.336 ( -4.019 -0.130 -1.506) 4.294 4.336 ( -4.019 -0.130 1.506) 4.294 4.452 ( 1.736 4.407 -3.485) 5.881 4.452 ( 1.736 4.407 3.485) 5.881 4.627 ( -2.642 0.791 -2.612) 3.799 4.627 ( -2.642 0.791 2.612) 3.799 4.698 ( 2.310 -2.035 -1.155) 3.288 4.698 ( 2.310 -2.035 1.155) 3.288 4.883 ( -4.687 0.296 -1.757) 5.015 4.883 ( -4.687 0.296 1.757) 5.015 4.960 ( 2.375 -0.217 -2.554) 3.495 4.960 ( 2.375 -0.217 2.554) 3.495 5.433 ( 0.334 -1.647 -3.705) 4.068 5.433 ( 0.334 -1.647 3.705) 4.068 5.644 ( 2.181 -5.276 -2.569) 6.261 5.644 ( 2.181 -5.276 2.569) 6.261 5.897 ( 1.165 -1.453 -0.481) 1.923 5.897 ( 1.165 -1.453 0.481) 1.923 6.006 ( 1.206 0.979 -0.325) 1.587 6.006 ( 1.206 0.979 0.325) 1.587 6.150 ( 1.008 -1.100 -2.617) 3.012 6.150 ( 1.008 -1.100 2.617) 3.012 ======================= Grid point 396 (115/147) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -12.280 2.397 -1.356) 12.585 0.996 ( -12.280 2.397 1.356) 12.585 1.255 ( -11.994 4.392 -8.706) 15.458 1.255 ( -11.994 4.392 8.706) 15.458 1.603 ( -10.058 -0.753 -1.209) 10.158 1.603 ( -10.058 -0.753 1.209) 10.158 1.867 ( -4.432 -2.490 -2.195) 5.537 1.867 ( -4.432 -2.490 2.195) 5.537 2.021 ( -11.766 1.571 -7.908) 14.263 2.021 ( -11.766 1.571 7.908) 14.263 2.087 ( -6.591 0.124 -1.756) 6.822 2.087 ( -6.591 0.124 1.756) 6.822 2.280 ( -4.369 -0.118 -9.884) 10.808 2.280 ( -4.369 -0.118 9.884) 10.808 2.529 ( -5.376 -5.362 -5.571) 9.417 2.529 ( -5.376 -5.362 5.571) 9.417 2.749 ( 0.354 -0.220 -1.993) 2.036 2.749 ( 0.354 -0.220 1.993) 2.036 3.004 ( 6.554 0.572 -2.335) 6.982 3.004 ( 6.554 0.572 2.335) 6.982 3.364 ( 0.449 0.387 -1.734) 1.832 3.364 ( 0.449 0.387 1.734) 1.832 3.801 ( -7.695 -1.097 -1.804) 7.980 3.801 ( -7.695 -1.097 1.804) 7.980 4.117 ( 0.755 0.937 -2.348) 2.638 4.117 ( 0.755 0.937 2.348) 2.638 4.246 ( -6.151 -0.862 -2.471) 6.684 4.246 ( -6.151 -0.862 2.471) 6.684 4.407 ( -7.497 -0.059 -4.156) 8.573 4.407 ( -7.497 -0.059 4.156) 8.573 4.510 ( -2.815 5.407 -4.622) 7.650 4.510 ( -2.815 5.407 4.622) 7.650 4.746 ( 0.299 -1.190 -2.148) 2.474 4.746 ( 0.299 -1.190 2.148) 2.474 4.837 ( 0.394 -0.450 -3.531) 3.582 4.837 ( 0.394 -0.450 3.531) 3.582 5.040 ( 4.618 -1.819 -1.621) 5.221 5.040 ( 4.618 -1.819 1.621) 5.221 5.465 ( 2.308 -0.005 -0.538) 2.370 5.465 ( 2.308 -0.005 0.538) 2.370 5.716 ( 2.667 -3.297 -2.602) 4.976 5.716 ( 2.667 -3.297 2.602) 4.976 5.917 ( 0.423 -0.701 -0.073) 0.822 5.917 ( 0.423 -0.701 0.073) 0.822 6.015 ( 0.004 0.909 -0.389) 0.989 6.015 ( 0.004 0.909 0.389) 0.989 6.187 ( 2.730 -1.004 -4.070) 5.002 6.187 ( 2.730 -1.004 4.070) 5.002 ======================= Grid point 398 (116/147) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -10.587 8.113 -8.030) 15.568 0.734 ( -10.587 8.113 8.030) 15.568 0.989 ( -13.770 7.656 -12.051) 19.836 0.989 ( -13.770 7.656 12.051) 19.836 1.390 ( -9.984 -0.025 -13.604) 16.875 1.390 ( -9.984 -0.025 13.604) 16.875 1.716 ( -9.336 -0.901 -4.525) 10.414 1.716 ( -9.336 -0.901 4.525) 10.414 1.861 ( -1.986 0.110 -1.655) 2.587 1.861 ( -1.986 0.110 1.655) 2.587 2.005 ( -4.668 1.441 -3.726) 6.144 2.005 ( -4.668 1.441 3.726) 6.144 2.218 ( -1.168 -0.523 -6.416) 6.542 2.218 ( -1.168 -0.523 6.416) 6.542 2.511 ( -1.253 -10.532 -6.199) 12.285 2.511 ( -1.253 -10.532 6.199) 12.285 2.779 ( 2.386 0.702 -4.116) 4.809 2.779 ( 2.386 0.702 4.116) 4.809 3.131 ( 6.175 0.193 -3.941) 7.328 3.131 ( 6.175 0.193 3.941) 7.328 3.378 ( 1.445 1.430 -1.823) 2.731 3.378 ( 1.445 1.430 1.823) 2.731 3.652 ( -8.623 -0.366 -0.625) 8.654 3.652 ( -8.623 -0.366 0.625) 8.654 3.959 ( -15.902 -0.803 -3.655) 16.336 3.959 ( -15.902 -0.803 3.655) 16.336 4.188 ( 0.620 0.673 -1.196) 1.506 4.188 ( 0.620 0.673 1.196) 1.506 4.271 ( -4.310 -0.005 -2.268) 4.870 4.271 ( -4.310 -0.005 2.268) 4.870 4.491 ( 1.239 1.475 -3.833) 4.289 4.491 ( 1.239 1.475 3.833) 4.289 4.737 ( -1.258 0.175 -4.404) 4.583 4.737 ( -1.258 0.175 4.404) 4.583 4.862 ( 1.268 -0.398 -3.675) 3.908 4.862 ( 1.268 -0.398 3.675) 3.908 5.133 ( 3.388 -2.153 -1.697) 4.358 5.133 ( 3.388 -2.153 1.697) 4.358 5.501 ( 1.099 -0.179 -3.183) 3.372 5.501 ( 1.099 -0.179 3.183) 3.372 5.787 ( 4.145 0.607 -2.700) 4.984 5.787 ( 4.145 0.607 2.700) 4.984 5.927 ( 0.461 0.235 -0.488) 0.711 5.927 ( 0.461 0.235 0.488) 0.711 5.986 ( -2.606 0.405 -1.035) 2.833 5.986 ( -2.606 0.405 1.035) 2.833 6.272 ( 4.731 -1.993 -4.053) 6.540 6.272 ( 4.731 -1.993 4.053) 6.540 ======================= Grid point 400 (117/147) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -0.000 12.011 -10.768) 16.132 0.566 ( -0.000 12.011 10.768) 16.132 0.744 ( -0.000 8.244 -15.679) 17.714 0.744 ( -0.000 8.244 15.679) 17.714 1.298 ( 0.000 -0.235 -26.708) 26.709 1.298 ( 0.000 -0.235 26.708) 26.709 1.632 ( 0.000 -1.470 -4.563) 4.794 1.632 ( 0.000 -1.470 4.563) 4.794 1.850 ( 0.000 -0.416 -1.505) 1.561 1.850 ( 0.000 -0.416 1.505) 1.561 1.937 ( -0.000 1.996 -1.966) 2.801 1.937 ( -0.000 1.996 1.966) 2.801 2.220 ( 0.000 -0.894 -6.453) 6.514 2.220 ( 0.000 -0.894 6.453) 6.514 2.567 ( 0.000 -10.322 -5.491) 11.692 2.567 ( 0.000 -10.322 5.491) 11.692 2.812 ( -0.000 0.513 -6.125) 6.146 2.812 ( -0.000 0.513 6.125) 6.146 3.201 ( -0.000 1.001 -4.715) 4.820 3.201 ( -0.000 1.001 4.715) 4.820 3.388 ( -0.000 2.149 -2.172) 3.055 3.388 ( -0.000 2.149 2.172) 3.055 3.521 ( -0.000 0.348 -2.897) 2.918 3.521 ( -0.000 0.348 2.897) 2.918 3.775 ( 0.000 -0.123 -2.014) 2.018 3.775 ( 0.000 -0.123 2.014) 2.018 4.201 ( 0.000 -0.581 -2.243) 2.317 4.201 ( 0.000 -0.581 2.243) 2.317 4.224 ( -0.000 1.066 -4.037) 4.176 4.224 ( -0.000 1.066 4.037) 4.176 4.510 ( 0.000 -0.775 -3.560) 3.644 4.510 ( 0.000 -0.775 3.560) 3.644 4.712 ( -0.000 1.720 -4.891) 5.185 4.712 ( -0.000 1.720 4.891) 5.185 4.878 ( 0.000 -0.674 -3.791) 3.851 4.878 ( 0.000 -0.674 3.791) 3.851 5.179 ( 0.000 -1.921 -1.314) 2.327 5.179 ( 0.000 -1.921 1.314) 2.327 5.512 ( 0.000 -0.528 -3.866) 3.902 5.512 ( 0.000 -0.528 3.866) 3.902 5.841 ( -0.000 1.999 -4.988) 5.374 5.841 ( -0.000 1.999 4.988) 5.374 5.923 ( -0.000 0.360 -0.623) 0.720 5.923 ( -0.000 0.360 0.623) 0.720 5.944 ( -0.000 0.215 -0.329) 0.392 5.944 ( -0.000 0.215 0.329) 0.392 6.343 ( 0.000 -2.467 -3.301) 4.121 6.343 ( 0.000 -2.467 3.301) 4.121 ======================= Grid point 406 (118/147) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 7.521 -0.000 -5.682) 9.426 1.381 ( 7.521 -0.000 5.682) 9.426 1.752 ( 12.044 -0.000 -0.232) 12.046 1.752 ( 12.044 -0.000 0.232) 12.046 1.803 ( 0.289 -0.000 -0.236) 0.373 1.803 ( 0.289 -0.000 0.236) 0.373 1.995 ( 4.990 -0.000 -2.717) 5.682 1.995 ( 4.990 -0.000 2.717) 5.682 2.237 ( -2.217 0.000 -0.832) 2.368 2.237 ( -2.217 0.000 0.832) 2.368 2.355 ( 8.119 -0.000 -4.333) 9.202 2.355 ( 8.119 -0.000 4.333) 9.202 2.568 ( -1.586 0.000 -2.912) 3.315 2.568 ( -1.586 0.000 2.912) 3.315 2.588 ( 2.966 -0.000 -3.380) 4.497 2.588 ( 2.966 -0.000 3.380) 4.497 2.715 ( -1.629 0.000 -5.588) 5.821 2.715 ( -1.629 0.000 5.588) 5.821 3.082 ( 7.047 -0.000 -6.954) 9.900 3.082 ( 7.047 -0.000 6.954) 9.900 3.383 ( 0.351 -0.000 -1.801) 1.835 3.383 ( 0.351 -0.000 1.801) 1.835 3.925 ( -4.845 0.000 -0.030) 4.845 3.925 ( -4.845 0.000 0.030) 4.845 4.096 ( 6.925 -0.000 -2.645) 7.413 4.096 ( 6.925 -0.000 2.645) 7.413 4.318 ( -0.782 0.000 -3.501) 3.588 4.318 ( -0.782 0.000 3.501) 3.588 4.432 ( 4.029 -0.000 -1.253) 4.220 4.432 ( 4.029 -0.000 1.253) 4.220 4.610 ( -1.246 0.000 -2.597) 2.881 4.610 ( -1.246 0.000 2.597) 2.881 4.782 ( 2.616 -0.000 -3.677) 4.513 4.782 ( 2.616 -0.000 3.677) 4.513 4.910 ( -1.160 0.000 -2.926) 3.147 4.910 ( -1.160 0.000 2.926) 3.147 4.928 ( 2.047 -0.000 -1.116) 2.332 4.928 ( 2.047 -0.000 1.116) 2.332 5.488 ( 1.501 -0.000 -3.745) 4.035 5.488 ( 1.501 -0.000 3.745) 4.035 5.671 ( -2.925 0.000 -2.960) 4.162 5.671 ( -2.925 0.000 2.960) 4.162 5.890 ( -2.753 0.000 -0.091) 2.754 5.890 ( -2.753 0.000 0.091) 2.754 5.984 ( -0.499 0.000 -0.551) 0.743 5.984 ( -0.499 0.000 0.551) 0.743 6.143 ( -1.642 0.000 -0.637) 1.761 6.143 ( -1.642 0.000 0.637) 1.761 ======================= Grid point 408 (119/147) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 5.864 -0.087 -2.339) 6.314 1.509 ( 5.864 -0.087 2.339) 6.314 1.765 ( -2.823 -0.122 -0.198) 2.832 1.765 ( -2.823 -0.122 0.198) 2.832 1.928 ( 6.228 0.087 -1.050) 6.316 1.928 ( 6.228 0.087 1.050) 6.316 2.122 ( 4.264 0.244 -0.934) 4.372 2.122 ( 4.264 0.244 0.934) 4.372 2.190 ( -0.153 1.923 -1.705) 2.575 2.190 ( -0.153 1.923 1.705) 2.575 2.440 ( 1.532 1.489 -1.244) 2.472 2.440 ( 1.532 1.489 1.244) 2.472 2.532 ( -0.537 -1.874 -2.613) 3.260 2.532 ( -0.537 -1.874 2.613) 3.260 2.614 ( -0.452 -0.026 -6.891) 6.906 2.614 ( -0.452 -0.026 6.891) 6.906 2.714 ( 0.441 0.040 -5.855) 5.872 2.714 ( 0.441 0.040 5.855) 5.872 3.180 ( 3.666 -0.018 -5.356) 6.491 3.180 ( 3.666 -0.018 5.356) 6.491 3.366 ( -1.921 0.312 -1.637) 2.543 3.366 ( -1.921 0.312 1.637) 2.543 3.841 ( -4.262 -1.155 -1.097) 4.550 3.841 ( -4.262 -1.155 1.097) 4.550 4.225 ( 4.882 0.407 -2.247) 5.390 4.225 ( 4.882 0.407 2.247) 5.390 4.357 ( 6.117 -1.697 -3.880) 7.440 4.357 ( 6.117 -1.697 3.880) 7.440 4.508 ( 3.751 0.109 -0.634) 3.805 4.508 ( 3.751 0.109 0.634) 3.805 4.594 ( -0.229 0.425 -3.270) 3.306 4.594 ( -0.229 0.425 3.270) 3.306 4.808 ( 0.237 1.445 -2.827) 3.184 4.808 ( 0.237 1.445 2.827) 3.184 4.909 ( 0.709 -0.882 -2.500) 2.744 4.909 ( 0.709 -0.882 2.500) 2.744 4.963 ( 1.205 -0.690 -1.053) 1.743 4.963 ( 1.205 -0.690 1.053) 1.743 5.450 ( -5.286 1.029 -2.754) 6.048 5.450 ( -5.286 1.029 2.754) 6.048 5.661 ( 1.934 0.136 -1.137) 2.247 5.661 ( 1.934 0.136 1.137) 2.247 5.846 ( -1.710 0.179 -1.072) 2.026 5.846 ( -1.710 0.179 1.072) 2.026 5.955 ( -2.045 0.198 -0.270) 2.072 5.955 ( -2.045 0.198 0.270) 2.072 6.097 ( -3.098 0.284 -0.831) 3.220 6.097 ( -3.098 0.284 0.831) 3.220 ======================= Grid point 410 (120/147) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 3.494 -0.064 -0.950) 3.622 1.603 ( 3.494 -0.064 0.950) 3.622 1.715 ( -2.009 -0.092 -0.406) 2.052 1.715 ( -2.009 -0.092 0.406) 2.052 1.999 ( 1.502 0.303 -0.974) 1.816 1.999 ( 1.502 0.303 0.974) 1.816 2.080 ( -4.313 1.340 -1.530) 4.768 2.080 ( -4.313 1.340 1.530) 4.768 2.218 ( 1.975 5.499 -3.015) 6.575 2.218 ( 1.975 5.499 3.015) 6.575 2.492 ( 2.814 -2.563 -0.172) 3.810 2.492 ( 2.814 -2.563 0.172) 3.810 2.532 ( -1.341 -1.914 -4.621) 5.179 2.532 ( -1.341 -1.914 4.621) 5.179 2.605 ( 0.702 -0.947 -7.423) 7.516 2.605 ( 0.702 -0.947 7.423) 7.516 2.702 ( -2.308 -2.307 -5.982) 6.815 2.702 ( -2.308 -2.307 5.982) 6.815 3.224 ( 0.904 1.636 -1.416) 2.345 3.224 ( 0.904 1.636 1.416) 2.345 3.323 ( -1.957 0.652 -0.703) 2.179 3.323 ( -1.957 0.652 0.703) 2.179 3.802 ( 0.830 -0.519 -0.841) 1.290 3.802 ( 0.830 -0.519 0.841) 1.290 4.274 ( 2.010 1.368 -1.278) 2.747 4.274 ( 2.010 1.368 1.278) 2.747 4.494 ( 2.402 -1.184 -0.111) 2.680 4.494 ( 2.402 -1.184 0.111) 2.680 4.578 ( 2.229 -0.783 -2.405) 3.371 4.578 ( 2.229 -0.783 2.405) 3.371 4.620 ( 5.466 -0.865 -3.437) 6.515 4.620 ( 5.466 -0.865 3.437) 6.515 4.774 ( -2.668 1.087 -3.292) 4.374 4.774 ( -2.668 1.087 3.292) 4.374 4.928 ( 0.299 -0.813 -2.479) 2.626 4.928 ( 0.299 -0.813 2.479) 2.626 4.981 ( 0.654 0.144 -1.367) 1.522 4.981 ( 0.654 0.144 1.367) 1.522 5.326 ( -5.809 0.963 -1.426) 6.058 5.326 ( -5.809 0.963 1.426) 6.058 5.702 ( 1.573 0.051 -0.901) 1.813 5.702 ( 1.573 0.051 0.901) 1.813 5.824 ( -0.586 0.094 -1.324) 1.451 5.824 ( -0.586 0.094 1.324) 1.451 5.918 ( -1.480 0.323 -0.138) 1.521 5.918 ( -1.480 0.323 0.138) 1.521 6.031 ( -3.004 0.164 -0.419) 3.038 6.031 ( -3.004 0.164 0.419) 3.038 ======================= Grid point 412 (121/147) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -2.597 0.090 -1.663) 3.086 1.610 ( -2.597 0.090 1.663) 3.086 1.716 ( 1.514 0.127 -0.290) 1.547 1.716 ( 1.514 0.127 0.290) 1.547 1.975 ( -5.102 0.156 -1.129) 5.228 1.975 ( -5.102 0.156 1.129) 5.228 2.009 ( -0.376 -0.435 -1.525) 1.630 2.009 ( -0.376 -0.435 1.525) 1.630 2.218 ( 1.353 5.522 -2.562) 6.236 2.218 ( 1.353 5.522 2.562) 6.236 2.478 ( -4.551 -1.016 -2.233) 5.170 2.478 ( -4.551 -1.016 2.233) 5.170 2.517 ( -2.189 -3.196 -9.804) 10.541 2.517 ( -2.189 -3.196 9.804) 10.541 2.628 ( -1.888 -4.976 -4.976) 7.286 2.628 ( -1.888 -4.976 4.976) 7.286 2.712 ( 3.100 -0.068 -2.573) 4.029 2.712 ( 3.100 -0.068 2.573) 4.029 3.200 ( -1.165 1.595 -0.564) 2.054 3.200 ( -1.165 1.595 0.564) 2.054 3.300 ( -0.203 -0.151 -0.215) 0.332 3.300 ( -0.203 -0.151 0.215) 0.332 3.885 ( 7.400 2.046 -1.084) 7.754 3.885 ( 7.400 2.046 1.084) 7.754 4.295 ( 1.105 2.959 -0.679) 3.231 4.295 ( 1.105 2.959 0.679) 3.231 4.481 ( -2.979 -1.650 -1.154) 3.596 4.481 ( -2.979 -1.650 1.154) 3.596 4.591 ( -0.983 -0.845 -3.481) 3.714 4.591 ( -0.983 -0.845 3.481) 3.714 4.673 ( -2.643 -0.015 -0.704) 2.735 4.673 ( -2.643 -0.015 0.704) 2.735 4.717 ( -3.443 -0.690 -2.712) 4.437 4.717 ( -3.443 -0.690 2.712) 4.437 4.960 ( 1.138 0.409 -0.627) 1.362 4.960 ( 1.138 0.409 0.627) 1.362 4.994 ( 3.158 0.511 -1.627) 3.589 4.994 ( 3.158 0.511 1.628) 3.589 5.254 ( -1.258 -1.052 -1.134) 1.994 5.254 ( -1.258 -1.052 1.134) 1.994 5.700 ( -2.026 0.020 -1.689) 2.638 5.700 ( -2.026 0.020 1.689) 2.638 5.815 ( -0.370 -0.181 -0.745) 0.851 5.815 ( -0.370 -0.181 0.745) 0.851 5.904 ( 0.437 0.013 -0.231) 0.495 5.904 ( 0.437 0.013 0.231) 0.495 6.008 ( 0.766 -0.598 -0.365) 1.038 6.008 ( 0.766 -0.598 0.365) 1.038 ======================= Grid point 414 (122/147) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -6.123 0.374 -1.882) 6.417 1.525 ( -6.123 0.374 1.882) 6.417 1.741 ( 0.606 -1.924 -1.566) 2.554 1.741 ( 0.606 -1.924 1.566) 2.554 1.883 ( -4.521 -0.857 -0.823) 4.675 1.883 ( -4.521 -0.857 0.823) 4.675 2.014 ( -0.443 -1.760 -3.581) 4.014 2.014 ( -0.443 -1.760 3.581) 4.014 2.186 ( -2.741 3.092 -2.299) 4.728 2.186 ( -2.741 3.092 2.299) 4.728 2.373 ( -6.553 -1.656 -3.809) 7.758 2.373 ( -6.553 -1.656 3.809) 7.758 2.479 ( -2.201 -1.686 -5.591) 6.241 2.479 ( -2.201 -1.686 5.591) 6.241 2.630 ( -0.250 -3.153 -3.082) 4.416 2.630 ( -0.250 -3.153 3.082) 4.416 2.751 ( 1.948 2.846 -4.803) 5.913 2.751 ( 1.948 2.846 4.803) 5.913 3.180 ( -1.828 -0.382 -2.365) 3.014 3.180 ( -1.828 -0.382 2.365) 3.014 3.314 ( 1.221 -1.159 -1.030) 1.974 3.314 ( 1.221 -1.159 1.030) 1.974 4.018 ( 7.121 3.837 -1.473) 8.221 4.018 ( 7.121 3.837 1.473) 8.221 4.263 ( -2.952 3.134 -0.541) 4.339 4.263 ( -2.952 3.134 0.541) 4.339 4.435 ( -2.385 -2.619 -1.158) 3.727 4.435 ( -2.385 -2.619 1.158) 3.727 4.532 ( -4.027 2.100 -1.933) 4.936 4.532 ( -4.027 2.100 1.933) 4.936 4.596 ( -3.564 2.004 -3.841) 5.610 4.596 ( -3.564 2.004 3.841) 5.610 4.678 ( -1.016 -2.927 -3.160) 4.425 4.678 ( -1.016 -2.927 3.160) 4.425 4.931 ( -2.226 -0.219 -1.320) 2.597 4.931 ( -2.226 -0.219 1.320) 2.597 5.064 ( 2.232 2.194 -2.573) 4.052 5.064 ( 2.232 2.194 2.573) 4.052 5.283 ( 1.911 -4.407 -3.604) 6.005 5.283 ( 1.911 -4.407 3.604) 6.005 5.634 ( -4.278 -0.695 -2.245) 4.882 5.634 ( -4.278 -0.695 2.245) 4.882 5.823 ( 1.009 -0.459 -0.604) 1.263 5.823 ( 1.009 -0.459 0.604) 1.263 5.931 ( 2.009 -0.451 -0.055) 2.059 5.931 ( 2.009 -0.451 0.055) 2.059 6.052 ( 2.667 -1.095 -0.738) 2.976 6.052 ( 2.667 -1.095 0.738) 2.976 ======================= Grid point 416 (123/147) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -8.309 0.267 -2.506) 8.683 1.381 ( -8.309 0.267 2.506) 8.683 1.713 ( -7.056 -3.728 -2.685) 8.420 1.713 ( -7.056 -3.728 2.685) 8.420 1.841 ( 0.922 1.864 -2.441) 3.207 1.841 ( 0.922 1.864 2.441) 3.207 1.956 ( -7.009 -1.729 -0.742) 7.257 1.956 ( -7.009 -1.729 0.742) 7.257 2.116 ( -4.020 -3.701 -4.150) 6.861 2.116 ( -4.020 -3.701 4.150) 6.861 2.268 ( -4.324 -1.942 -6.407) 7.970 2.268 ( -4.324 -1.942 6.407) 7.970 2.473 ( 0.576 0.509 -8.819) 8.852 2.473 ( 0.576 0.509 8.819) 8.852 2.634 ( -1.261 -0.063 -6.646) 6.765 2.634 ( -1.261 -0.063 6.646) 6.765 2.776 ( 2.826 3.315 -4.024) 5.931 2.776 ( 2.826 3.315 4.024) 5.931 3.084 ( -8.703 -0.820 -3.088) 9.271 3.084 ( -8.703 -0.820 3.088) 9.271 3.345 ( 0.828 -1.449 -0.740) 1.825 3.345 ( 0.828 -1.449 0.740) 1.825 4.075 ( -0.376 3.268 -0.178) 3.295 4.075 ( -0.376 3.268 0.178) 3.295 4.159 ( -4.539 3.121 -1.037) 5.605 4.159 ( -4.539 3.121 1.037) 5.605 4.406 ( -2.695 -0.147 -1.643) 3.160 4.406 ( -2.695 -0.147 1.643) 3.160 4.479 ( 1.254 3.111 -0.775) 3.442 4.479 ( 1.254 3.111 0.775) 3.442 4.573 ( 2.613 0.351 -4.598) 5.300 4.573 ( 2.613 0.351 4.598) 5.300 4.673 ( -1.899 -3.228 -3.917) 5.419 4.673 ( -1.899 -3.228 3.917) 5.419 4.905 ( -0.605 -0.983 -1.591) 1.966 4.905 ( -0.605 -0.983 1.591) 1.966 5.040 ( -2.850 3.562 -1.110) 4.695 5.040 ( -2.850 3.562 1.110) 4.695 5.350 ( 1.691 -5.942 -5.391) 8.200 5.350 ( 1.691 -5.942 5.391) 8.200 5.572 ( -2.348 -2.127 -2.802) 4.229 5.572 ( -2.348 -2.127 2.802) 4.229 5.852 ( 1.471 -0.712 -0.569) 1.731 5.852 ( 1.471 -0.712 0.569) 1.731 5.977 ( 2.321 -0.242 -0.106) 2.336 5.977 ( 2.321 -0.242 0.106) 2.336 6.104 ( 1.847 -1.272 -1.207) 2.547 6.104 ( 1.847 -1.272 1.207) 2.547 ======================= Grid point 418 (124/147) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -9.038 0.458 -2.378) 9.357 1.213 ( -9.038 0.458 2.378) 9.357 1.537 ( -11.207 1.242 -1.604) 11.390 1.537 ( -11.207 1.242 1.604) 11.390 1.762 ( -8.515 -0.254 -1.225) 8.607 1.762 ( -8.515 -0.254 1.225) 8.607 1.893 ( -1.119 -1.024 -2.388) 2.829 1.893 ( -1.119 -1.024 2.388) 2.829 2.050 ( -4.836 -6.657 -5.424) 9.855 2.050 ( -4.836 -6.657 5.424) 9.855 2.248 ( 0.052 0.124 -2.619) 2.622 2.248 ( 0.052 0.124 2.619) 2.622 2.420 ( -9.010 0.308 -5.639) 10.634 2.420 ( -9.010 0.308 5.639) 10.634 2.575 ( -3.502 -0.280 -4.201) 5.476 2.575 ( -3.502 -0.280 4.201) 5.476 2.792 ( -2.420 1.391 -3.249) 4.284 2.792 ( -2.420 1.391 3.249) 4.284 2.943 ( -1.424 0.132 -3.953) 4.203 2.943 ( -1.424 0.132 3.953) 4.203 3.360 ( 0.330 -0.367 -0.985) 1.102 3.360 ( 0.330 -0.367 0.985) 1.102 3.946 ( -8.573 0.833 -4.578) 9.754 3.946 ( -8.573 0.833 4.578) 9.754 4.124 ( 0.583 2.691 -2.954) 4.038 4.124 ( 0.583 2.691 2.954) 4.038 4.336 ( -4.234 0.148 -1.214) 4.408 4.336 ( -4.234 0.148 1.214) 4.408 4.495 ( 0.291 2.989 -2.291) 3.777 4.495 ( 0.291 2.989 2.291) 3.777 4.629 ( -1.939 -0.648 -4.178) 4.651 4.629 ( -1.939 -0.648 4.178) 4.651 4.680 ( 5.139 -0.748 -3.026) 6.010 4.680 ( 5.139 -0.748 3.026) 6.010 4.885 ( -4.844 0.119 -1.657) 5.121 4.885 ( -4.844 0.119 1.657) 5.121 4.962 ( 0.147 0.770 -2.199) 2.335 4.962 ( 0.147 0.770 2.199) 2.335 5.406 ( 1.689 -3.255 -4.930) 6.144 5.406 ( 1.689 -3.255 4.930) 6.144 5.587 ( 1.948 -4.441 -2.410) 5.415 5.587 ( 1.948 -4.441 2.410) 5.415 5.883 ( 1.261 -0.968 -0.373) 1.633 5.883 ( 1.261 -0.968 0.373) 1.633 6.016 ( 1.741 0.756 -0.187) 1.907 6.016 ( 1.741 0.756 0.187) 1.907 6.136 ( 1.022 -1.330 -2.603) 3.097 6.136 ( 1.022 -1.330 2.603) 3.097 ======================= Grid point 420 (125/147) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -9.399 3.023 -3.437) 10.454 1.028 ( -9.399 3.023 3.437) 10.454 1.304 ( -10.667 4.474 -5.292) 12.720 1.304 ( -10.667 4.474 5.292) 12.720 1.594 ( -9.497 -0.925 -1.931) 9.735 1.594 ( -9.497 -0.925 1.931) 9.735 1.841 ( -4.935 -2.150 -2.152) 5.797 1.841 ( -4.935 -2.150 2.152) 5.797 2.019 ( -3.887 -1.891 -5.004) 6.613 2.019 ( -3.887 -1.891 5.004) 6.613 2.101 ( -13.485 2.171 -0.379) 13.664 2.101 ( -13.485 2.171 0.379) 13.664 2.275 ( -2.449 -0.670 -9.158) 9.503 2.275 ( -2.449 -0.670 9.158) 9.503 2.472 ( -8.800 -4.577 -7.641) 12.521 2.472 ( -8.800 -4.577 7.641) 12.521 2.746 ( 0.262 -0.310 -2.701) 2.732 2.746 ( 0.262 -0.310 2.701) 2.732 3.014 ( 6.381 1.160 -1.067) 6.573 3.014 ( 6.381 1.160 1.067) 6.573 3.369 ( 0.888 0.520 -1.486) 1.808 3.369 ( 0.888 0.520 1.486) 1.808 3.790 ( -7.821 -0.886 -3.196) 8.495 3.790 ( -7.821 -0.886 3.196) 8.495 4.121 ( -1.268 -0.186 -1.935) 2.321 4.121 ( -1.268 -0.186 1.935) 2.321 4.241 ( -5.678 -0.020 -2.471) 6.193 4.241 ( -5.678 -0.020 2.471) 6.193 4.405 ( -8.716 -0.446 -3.331) 9.342 4.405 ( -8.716 -0.446 3.331) 9.342 4.569 ( -2.815 4.834 -3.939) 6.842 4.569 ( -2.815 4.834 3.939) 6.842 4.732 ( -0.383 -1.241 -3.167) 3.423 4.732 ( -0.383 -1.241 3.167) 3.423 4.832 ( 1.296 -0.390 -2.812) 3.121 4.832 ( 1.296 -0.390 2.812) 3.121 5.024 ( 4.456 -1.044 -1.409) 4.789 5.024 ( 4.456 -1.044 1.409) 4.789 5.459 ( 2.417 -1.108 -0.870) 2.797 5.459 ( 2.417 -1.108 0.870) 2.797 5.678 ( 4.771 -3.313 -2.107) 6.178 5.678 ( 4.771 -3.313 2.107) 6.178 5.909 ( 0.984 -0.689 -0.099) 1.205 5.909 ( 0.984 -0.689 0.099) 1.205 6.025 ( -0.448 0.897 -0.132) 1.011 6.025 ( -0.448 0.897 0.132) 1.011 6.175 ( 2.753 -0.941 -4.565) 5.413 6.175 ( 2.753 -0.941 4.565) 5.413 ======================= Grid point 422 (126/147) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -6.311 8.999 -8.303) 13.775 0.834 ( -6.311 8.999 8.303) 13.775 1.080 ( -10.058 8.300 -9.567) 16.174 1.080 ( -10.058 8.300 9.567) 16.174 1.399 ( -9.439 1.761 -4.317) 10.528 1.399 ( -9.439 1.761 4.317) 10.528 1.698 ( -9.986 -2.084 -4.243) 11.048 1.698 ( -9.986 -2.084 4.243) 11.048 1.863 ( -3.485 -0.070 -3.082) 4.653 1.863 ( -3.485 -0.070 3.082) 4.653 2.022 ( -2.128 1.108 -6.152) 6.603 2.022 ( -2.128 1.108 6.152) 6.603 2.212 ( -3.144 -0.328 -4.670) 5.639 2.212 ( -3.144 -0.328 4.670) 5.639 2.389 ( -3.230 -10.238 -7.573) 13.137 2.389 ( -3.230 -10.238 7.573) 13.137 2.777 ( 1.832 -0.951 -4.285) 4.757 2.777 ( 1.832 -0.951 4.285) 4.757 3.136 ( 6.469 0.713 -2.831) 7.097 3.136 ( 6.469 0.713 2.831) 7.097 3.393 ( 2.005 1.142 -1.366) 2.681 3.393 ( 2.005 1.142 1.366) 2.681 3.646 ( -8.013 -0.654 -1.234) 8.134 3.646 ( -8.013 -0.654 1.234) 8.134 3.948 ( -15.175 -1.224 -2.581) 15.441 3.948 ( -15.175 -1.224 2.581) 15.441 4.195 ( 0.098 0.445 -1.759) 1.817 4.195 ( 0.098 0.445 1.759) 1.817 4.270 ( -3.856 -0.211 -0.754) 3.934 4.270 ( -3.856 -0.211 0.754) 3.934 4.506 ( -1.566 0.988 -3.597) 4.045 4.506 ( -1.566 0.988 3.597) 4.045 4.738 ( 0.310 0.005 -5.497) 5.505 4.738 ( 0.310 0.005 5.497) 5.505 4.859 ( 0.990 0.116 -2.835) 3.005 4.859 ( 0.990 0.116 2.835) 3.005 5.111 ( 3.408 -1.451 -2.387) 4.407 5.111 ( 3.408 -1.451 2.387) 4.407 5.497 ( 0.899 -0.597 -2.891) 3.086 5.497 ( 0.899 -0.597 2.891) 3.086 5.792 ( 5.742 0.046 -3.160) 6.554 5.792 ( 5.742 0.046 3.160) 6.554 5.929 ( 0.774 0.037 -0.419) 0.881 5.929 ( 0.774 0.037 0.419) 0.881 5.991 ( -2.622 0.411 -1.188) 2.908 5.991 ( -2.622 0.411 1.188) 2.908 6.250 ( 3.897 -1.599 -5.599) 7.007 6.250 ( 3.897 -1.599 5.599) 7.007 ======================= Grid point 424 (127/147) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.000 13.802 -10.568) 17.383 0.720 ( -0.000 13.802 10.568) 17.383 0.867 ( -0.000 13.013 -12.049) 17.735 0.867 ( -0.000 13.013 12.049) 17.735 1.298 ( -0.000 0.712 -15.645) 15.661 1.298 ( -0.000 0.712 15.645) 15.661 1.609 ( 0.000 -2.621 -3.890) 4.691 1.609 ( 0.000 -2.621 3.890) 4.691 1.843 ( 0.000 -0.943 -1.944) 2.161 1.843 ( 0.000 -0.943 1.944) 2.161 1.973 ( -0.000 4.137 -7.000) 8.131 1.973 ( -0.000 4.137 7.000) 8.131 2.201 ( 0.000 -2.797 -2.753) 3.925 2.201 ( 0.000 -2.797 2.753) 3.925 2.430 ( 0.000 -12.741 -7.356) 14.713 2.430 ( 0.000 -12.741 7.356) 14.713 2.808 ( 0.000 -1.205 -5.373) 5.506 2.808 ( 0.000 -1.205 5.373) 5.506 3.214 ( -0.000 1.269 -3.504) 3.727 3.214 ( -0.000 1.269 3.504) 3.727 3.412 ( -0.000 1.882 -1.406) 2.349 3.412 ( -0.000 1.882 1.406) 2.349 3.526 ( -0.000 0.634 -2.694) 2.768 3.526 ( -0.000 0.634 2.694) 2.768 3.773 ( 0.000 -0.228 -1.800) 1.815 3.773 ( 0.000 -0.228 1.800) 1.815 4.192 ( 0.000 -0.973 -2.446) 2.633 4.192 ( 0.000 -0.973 2.446) 2.633 4.240 ( -0.000 1.480 -1.821) 2.347 4.240 ( -0.000 1.480 1.821) 2.347 4.497 ( 0.000 -1.446 -3.545) 3.828 4.497 ( 0.000 -1.446 3.545) 3.828 4.734 ( -0.000 1.854 -5.697) 5.991 4.734 ( -0.000 1.854 5.697) 5.991 4.870 ( 0.000 -0.616 -3.010) 3.072 4.870 ( 0.000 -0.616 3.010) 3.072 5.155 ( 0.000 -1.939 -2.383) 3.073 5.155 ( 0.000 -1.939 2.383) 3.073 5.506 ( 0.000 -0.451 -4.164) 4.188 5.506 ( 0.000 -0.451 4.164) 4.188 5.864 ( -0.000 1.749 -5.534) 5.803 5.864 ( -0.000 1.749 5.534) 5.803 5.929 ( -0.000 0.632 -0.613) 0.880 5.929 ( -0.000 0.632 0.613) 0.880 5.947 ( -0.000 0.244 -0.353) 0.429 5.947 ( -0.000 0.244 0.353) 0.429 6.310 ( 0.000 -2.985 -5.352) 6.128 6.310 ( 0.000 -2.985 5.352) 6.128 ======================= Grid point 434 (128/147) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.596 -0.000 -0.658) 3.656 1.602 ( 3.596 -0.000 0.658) 3.656 1.715 ( -2.004 0.000 -0.359) 2.036 1.715 ( -2.004 0.000 0.359) 2.036 2.000 ( 1.478 -0.000 -0.979) 1.773 2.000 ( 1.478 -0.000 0.979) 1.773 2.087 ( -4.402 0.000 -1.566) 4.672 2.087 ( -4.402 0.000 1.566) 4.672 2.260 ( 2.872 -0.000 -0.093) 2.873 2.260 ( 2.872 -0.000 0.093) 2.873 2.462 ( 0.159 -0.000 -1.078) 1.089 2.462 ( 0.159 -0.000 1.078) 1.089 2.524 ( -0.053 0.000 -2.054) 2.055 2.524 ( -0.053 0.000 2.054) 2.055 2.602 ( 0.090 -0.000 -5.791) 5.792 2.602 ( 0.090 -0.000 5.791) 5.792 2.689 ( -2.276 0.000 -5.646) 6.088 2.689 ( -2.276 0.000 5.646) 6.088 3.233 ( 1.181 -0.000 -1.080) 1.600 3.233 ( 1.181 -0.000 1.080) 1.600 3.327 ( -2.108 0.000 -0.460) 2.158 3.327 ( -2.108 0.000 0.460) 2.158 3.799 ( 1.488 -0.000 -0.794) 1.686 3.799 ( 1.488 -0.000 0.794) 1.686 4.283 ( 2.276 -0.000 -1.713) 2.848 4.283 ( 2.276 -0.000 1.713) 2.848 4.486 ( 3.325 -0.000 -0.474) 3.359 4.486 ( 3.325 -0.000 0.474) 3.359 4.574 ( 1.761 -0.000 -1.866) 2.566 4.574 ( 1.761 -0.000 1.866) 2.566 4.616 ( 4.959 -0.000 -3.595) 6.125 4.616 ( 4.959 -0.000 3.595) 6.125 4.780 ( -3.425 0.000 -3.192) 4.682 4.780 ( -3.425 0.000 3.192) 4.682 4.923 ( 0.826 -0.000 -2.550) 2.681 4.923 ( 0.826 -0.000 2.550) 2.681 4.982 ( 0.985 -0.000 -1.397) 1.710 4.982 ( 0.985 -0.000 1.397) 1.710 5.331 ( -6.229 0.000 -1.360) 6.376 5.331 ( -6.229 0.000 1.360) 6.376 5.702 ( 1.566 -0.000 -0.706) 1.718 5.702 ( 1.566 -0.000 0.706) 1.718 5.824 ( -0.656 0.000 -1.333) 1.486 5.824 ( -0.656 0.000 1.333) 1.486 5.920 ( -1.510 0.000 -0.014) 1.510 5.920 ( -1.510 0.000 0.014) 1.510 6.032 ( -3.201 0.000 -0.422) 3.229 6.032 ( -3.201 0.000 0.422) 3.229 ======================= Grid point 436 (129/147) ======================= q-point: (-0.69 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -2.693 0.016 -1.681) 3.175 1.610 ( -2.693 0.016 1.681) 3.175 1.717 ( 1.690 0.079 -0.158) 1.699 1.717 ( 1.690 0.079 0.158) 1.699 1.977 ( -6.455 0.145 -0.823) 6.509 1.977 ( -6.455 0.145 0.823) 6.509 2.005 ( -0.470 -0.166 -1.501) 1.582 2.005 ( -0.470 -0.166 1.501) 1.582 2.285 ( 1.245 5.319 -1.830) 5.761 2.285 ( 1.245 5.319 1.830) 5.761 2.442 ( -3.859 -4.810 -2.675) 6.722 2.442 ( -3.859 -4.810 2.675) 6.722 2.489 ( -3.059 -0.768 -2.663) 4.128 2.489 ( -3.059 -0.768 2.663) 4.128 2.592 ( -1.520 -1.373 -6.710) 7.016 2.592 ( -1.520 -1.373 6.710) 7.016 2.713 ( 4.098 0.121 -2.338) 4.720 2.713 ( 4.098 0.121 2.338) 4.720 3.213 ( -2.181 0.621 -0.229) 2.279 3.213 ( -2.181 0.621 0.229) 2.279 3.299 ( -0.484 -0.033 -0.270) 0.555 3.299 ( -0.484 -0.033 0.270) 0.555 3.901 ( 8.180 0.761 -1.296) 8.317 3.901 ( 8.180 0.761 1.296) 8.317 4.325 ( 2.342 1.836 -1.324) 3.257 4.325 ( 2.342 1.836 1.324) 3.257 4.463 ( -4.573 -1.198 -1.331) 4.912 4.463 ( -4.573 -1.198 1.331) 4.912 4.583 ( -0.088 -0.460 -2.871) 2.909 4.583 ( -0.088 -0.460 2.871) 2.909 4.673 ( -3.236 -0.023 -0.616) 3.294 4.673 ( -3.236 -0.023 0.616) 3.294 4.711 ( -2.394 -0.292 -2.857) 3.739 4.711 ( -2.394 -0.292 2.857) 3.739 4.964 ( 1.356 0.199 -0.803) 1.589 4.964 ( 1.356 0.199 0.803) 1.589 4.998 ( 3.015 0.166 -1.324) 3.297 4.998 ( 3.015 0.166 1.324) 3.297 5.247 ( -2.345 -0.351 -0.600) 2.445 5.247 ( -2.345 -0.351 0.600) 2.445 5.700 ( -2.125 0.014 -1.666) 2.700 5.700 ( -2.125 0.014 1.666) 2.700 5.814 ( -0.494 -0.069 -0.684) 0.847 5.814 ( -0.494 -0.069 0.684) 0.847 5.905 ( 0.212 0.035 -0.195) 0.290 5.905 ( 0.212 0.035 0.195) 0.290 6.003 ( 0.532 -0.242 -0.462) 0.745 6.003 ( 0.532 -0.242 0.462) 0.745 ======================= Grid point 438 (130/147) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -5.881 0.189 -1.675) 6.118 1.528 ( -5.881 0.189 1.675) 6.118 1.722 ( -2.033 -1.344 -2.161) 3.258 1.722 ( -2.033 -1.344 2.161) 3.258 1.877 ( -2.935 -0.231 -1.873) 3.490 1.877 ( -2.935 -0.231 1.873) 3.490 1.999 ( -0.941 -0.885 -3.742) 3.958 1.999 ( -0.941 -0.885 3.742) 3.958 2.221 ( -5.569 2.865 -4.760) 7.867 2.221 ( -5.569 2.865 4.760) 7.867 2.351 ( -7.093 -2.034 -3.956) 8.372 2.351 ( -7.093 -2.034 3.956) 8.372 2.468 ( 0.679 -0.348 -3.757) 3.833 2.468 ( 0.679 -0.348 3.757) 3.833 2.599 ( 1.003 -2.192 -1.459) 2.818 2.599 ( 1.003 -2.192 1.459) 2.818 2.776 ( 2.782 1.509 -4.598) 5.582 2.776 ( 2.782 1.509 4.598) 5.582 3.175 ( -2.414 -0.408 -1.786) 3.031 3.175 ( -2.414 -0.408 1.786) 3.031 3.304 ( 0.765 -0.575 -0.529) 1.094 3.304 ( 0.765 -0.575 0.529) 1.094 4.051 ( 7.048 1.946 -1.782) 7.526 4.051 ( 7.048 1.946 1.782) 7.526 4.302 ( -4.230 3.549 -0.412) 5.537 4.302 ( -4.230 3.549 0.412) 5.537 4.403 ( -1.031 -2.961 -1.234) 3.370 4.403 ( -1.031 -2.961 1.234) 3.370 4.555 ( -2.944 2.164 -2.010) 4.170 4.555 ( -2.944 2.164 2.010) 4.170 4.608 ( -2.314 -0.650 -1.010) 2.608 4.608 ( -2.315 -0.650 1.010) 2.608 4.655 ( -2.543 -0.753 -2.123) 3.398 4.655 ( -2.543 -0.753 2.123) 3.398 4.928 ( -2.867 -0.244 -0.877) 3.008 4.928 ( -2.867 -0.244 0.877) 3.008 5.085 ( 3.402 1.468 -2.746) 4.612 5.085 ( 3.402 1.468 2.746) 4.612 5.241 ( 0.413 -2.837 -3.098) 4.221 5.241 ( 0.413 -2.837 3.098) 4.221 5.628 ( -4.725 -0.399 -2.144) 5.204 5.628 ( -4.725 -0.399 2.144) 5.204 5.819 ( 0.972 -0.247 -0.353) 1.063 5.819 ( 0.972 -0.247 0.353) 1.063 5.927 ( 1.929 -0.235 -0.186) 1.952 5.927 ( 1.929 -0.235 0.186) 1.952 6.042 ( 2.614 -0.636 -0.821) 2.813 6.042 ( 2.614 -0.636 0.821) 2.813 ======================= Grid point 440 (131/147) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -8.348 0.510 -1.617) 8.518 1.386 ( -8.348 0.510 1.617) 8.518 1.670 ( -4.904 -3.631 -2.241) 6.500 1.670 ( -4.904 -3.631 2.241) 6.500 1.859 ( 0.409 1.269 -3.067) 3.345 1.859 ( 0.409 1.269 3.067) 3.345 1.938 ( -6.804 -1.344 -0.950) 7.000 1.938 ( -6.804 -1.344 0.950) 7.000 2.081 ( -7.877 -2.398 -5.795) 10.068 2.081 ( -7.877 -2.398 5.795) 10.068 2.249 ( -3.045 -1.342 -7.087) 7.829 2.249 ( -3.045 -1.342 7.087) 7.829 2.485 ( 0.567 1.416 -7.382) 7.538 2.485 ( 0.567 1.416 7.382) 7.538 2.630 ( 0.375 -0.482 -6.217) 6.247 2.630 ( 0.375 -0.482 6.217) 6.247 2.815 ( 2.953 3.350 -4.278) 6.184 2.815 ( 2.953 3.350 4.278) 6.184 3.072 ( -9.284 -1.277 -1.896) 9.561 3.072 ( -9.284 -1.277 1.896) 9.561 3.330 ( 1.156 -1.145 -0.596) 1.733 3.330 ( 1.156 -1.145 0.596) 1.733 4.105 ( -1.770 2.014 -0.543) 2.736 4.105 ( -1.770 2.014 0.543) 2.736 4.193 ( -3.835 2.660 -0.085) 4.668 4.193 ( -3.835 2.660 0.085) 4.668 4.399 ( -1.867 -0.992 -1.032) 2.352 4.399 ( -1.867 -0.992 1.032) 2.352 4.509 ( 0.892 2.311 -0.918) 2.642 4.509 ( 0.892 2.311 0.918) 2.642 4.586 ( 1.753 1.637 -5.292) 5.810 4.586 ( 1.753 1.637 5.292) 5.810 4.638 ( -1.459 -2.840 -4.286) 5.345 4.638 ( -1.459 -2.840 4.286) 5.345 4.893 ( -0.778 -1.096 -1.192) 1.797 4.893 ( -0.778 -1.096 1.192) 1.797 5.079 ( -2.723 3.337 -1.416) 4.533 5.079 ( -2.723 3.337 1.416) 4.533 5.284 ( 1.708 -5.485 -5.853) 8.201 5.284 ( 1.708 -5.485 5.853) 8.201 5.554 ( -2.932 -1.233 -2.777) 4.223 5.554 ( -2.932 -1.233 2.777) 4.223 5.845 ( 1.399 -0.425 -0.440) 1.527 5.845 ( 1.399 -0.425 0.440) 1.527 5.974 ( 2.677 -0.178 -0.092) 2.684 5.974 ( 2.677 -0.178 0.092) 2.684 6.091 ( 1.816 -0.944 -1.037) 2.294 6.091 ( 1.816 -0.944 1.037) 2.294 ======================= Grid point 442 (132/147) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -8.527 0.584 -2.187) 8.822 1.219 ( -8.527 0.584 2.187) 8.822 1.551 ( -8.313 1.532 -0.296) 8.458 1.551 ( -8.313 1.532 0.296) 8.458 1.752 ( -10.015 -1.395 -0.965) 10.157 1.752 ( -10.015 -1.395 0.965) 10.157 1.882 ( -1.874 -1.694 -3.212) 4.086 1.882 ( -1.874 -1.694 3.212) 4.086 1.980 ( -3.304 -4.852 -5.342) 7.937 1.980 ( -3.304 -4.852 5.342) 7.937 2.246 ( 1.011 -0.353 -6.051) 6.145 2.246 ( 1.011 -0.353 6.051) 6.145 2.428 ( -8.507 0.935 -4.021) 9.456 2.428 ( -8.507 0.935 4.021) 9.456 2.573 ( -6.010 -0.012 -3.926) 7.179 2.573 ( -6.010 -0.012 3.926) 7.179 2.811 ( -4.566 1.760 -2.421) 5.460 2.811 ( -4.566 1.760 2.421) 5.460 2.944 ( 1.001 0.082 -3.585) 3.723 2.944 ( 1.001 0.082 3.585) 3.723 3.355 ( 1.003 -0.420 -0.774) 1.335 3.355 ( 1.003 -0.420 0.774) 1.335 3.960 ( -9.396 1.571 -4.648) 10.600 3.960 ( -9.396 1.571 4.648) 10.600 4.149 ( -1.079 1.682 -2.372) 3.102 4.149 ( -1.079 1.682 2.372) 3.102 4.339 ( -4.162 0.274 -1.296) 4.368 4.339 ( -4.162 0.274 1.296) 4.368 4.514 ( -2.376 0.244 -1.234) 2.689 4.514 ( -2.376 0.244 1.234) 2.689 4.618 ( 0.465 -0.769 -4.359) 4.450 4.618 ( 0.465 -0.769 4.358) 4.450 4.680 ( 6.308 0.395 -4.057) 7.510 4.680 ( 6.308 0.395 4.057) 7.510 4.885 ( -3.684 -0.059 -1.223) 3.882 4.885 ( -3.684 -0.059 1.223) 3.882 4.977 ( -2.503 1.684 -1.318) 3.292 4.977 ( -2.503 1.684 1.318) 3.292 5.362 ( 3.196 -4.329 -6.208) 8.215 5.362 ( 3.196 -4.329 6.208) 8.215 5.549 ( 1.775 -2.386 -2.794) 4.080 5.549 ( 1.775 -2.386 2.794) 4.080 5.874 ( 1.305 -0.626 -0.248) 1.469 5.874 ( 1.305 -0.626 0.248) 1.469 6.023 ( 2.228 0.598 -0.197) 2.315 6.023 ( 2.228 0.598 0.197) 2.315 6.122 ( 1.043 -1.244 -2.205) 2.738 6.122 ( 1.043 -1.244 2.205) 2.738 ======================= Grid point 444 (133/147) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -7.726 1.854 -5.635) 9.740 1.057 ( -7.726 1.854 5.635) 9.740 1.360 ( -8.584 5.815 -2.187) 10.597 1.360 ( -8.584 5.815 2.187) 10.597 1.579 ( -8.780 -1.744 -2.141) 9.204 1.579 ( -8.780 -1.744 2.141) 9.204 1.815 ( -5.535 -2.994 -1.897) 6.573 1.815 ( -5.535 -2.994 1.897) 6.573 1.991 ( -0.425 -2.455 -3.566) 4.350 1.991 ( -0.425 -2.455 3.566) 4.350 2.123 ( -17.260 1.389 -0.834) 17.336 2.123 ( -17.260 1.389 0.834) 17.336 2.270 ( -0.141 -0.026 -8.460) 8.462 2.270 ( -0.141 -0.026 8.460) 8.462 2.430 ( -10.226 -2.764 -8.963) 13.876 2.430 ( -10.226 -2.764 8.963) 13.876 2.743 ( -0.746 -0.362 -3.404) 3.504 2.743 ( -0.746 -0.362 3.404) 3.504 3.029 ( 6.255 1.538 -0.267) 6.447 3.029 ( 6.255 1.538 0.267) 6.447 3.375 ( 1.294 0.595 -1.019) 1.751 3.375 ( 1.294 0.595 1.019) 1.751 3.783 ( -8.361 -0.200 -4.132) 9.329 3.783 ( -8.361 -0.200 4.132) 9.329 4.113 ( -3.447 -1.059 -1.040) 3.753 4.113 ( -3.447 -1.059 1.040) 3.753 4.243 ( -5.334 0.233 -3.187) 6.218 4.243 ( -5.334 0.233 3.187) 6.218 4.396 ( -9.085 -1.115 -2.695) 9.541 4.396 ( -9.085 -1.115 2.695) 9.541 4.610 ( -3.575 2.159 -2.421) 4.827 4.610 ( -3.575 2.159 2.421) 4.827 4.725 ( -1.172 0.417 -3.548) 3.760 4.725 ( -1.172 0.417 3.548) 3.760 4.828 ( 2.642 -0.174 -2.397) 3.572 4.828 ( 2.642 -0.174 2.397) 3.572 5.018 ( 4.463 0.018 -1.193) 4.620 5.018 ( 4.463 0.018 1.193) 4.620 5.440 ( 2.722 -2.328 -2.243) 4.226 5.440 ( 2.722 -2.328 2.243) 4.226 5.646 ( 6.463 -2.192 -1.594) 7.008 5.646 ( 6.463 -2.192 1.594) 7.008 5.902 ( 1.216 -0.609 -0.085) 1.363 5.902 ( 1.216 -0.609 0.085) 1.363 6.034 ( -0.874 0.635 -0.140) 1.089 6.034 ( -0.874 0.635 0.140) 1.089 6.167 ( 3.269 -0.600 -4.138) 5.307 6.167 ( 3.269 -0.600 4.138) 5.307 ======================= Grid point 446 (134/147) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -4.440 4.908 -9.836) 11.855 0.916 ( -4.440 4.908 9.836) 11.855 1.176 ( -6.483 9.159 -5.249) 12.388 1.176 ( -6.483 9.159 5.249) 12.388 1.425 ( -7.453 2.127 -2.106) 8.032 1.425 ( -7.453 2.127 2.106) 8.032 1.676 ( -10.426 -1.749 -3.464) 11.124 1.676 ( -10.426 -1.749 3.464) 11.124 1.853 ( -5.225 -1.909 -2.763) 6.211 1.853 ( -5.225 -1.909 2.763) 6.211 2.017 ( -0.898 -2.119 -3.832) 4.470 2.017 ( -0.898 -2.119 3.832) 4.470 2.217 ( -6.234 1.086 -12.360) 13.886 2.217 ( -6.234 1.086 12.360) 13.886 2.302 ( -2.339 -4.709 -10.156) 11.436 2.302 ( -2.339 -4.709 10.156) 11.436 2.760 ( 1.087 -1.948 -4.259) 4.807 2.760 ( 1.087 -1.948 4.259) 4.807 3.146 ( 6.390 0.941 -1.928) 6.741 3.146 ( 6.390 0.941 1.928) 6.741 3.404 ( 2.101 0.874 -1.227) 2.585 3.404 ( 2.101 0.874 1.227) 2.585 3.638 ( -7.380 -0.669 -1.983) 7.671 3.638 ( -7.380 -0.669 1.983) 7.671 3.933 ( -14.173 -1.276 -1.745) 14.337 3.933 ( -14.173 -1.276 1.745) 14.337 4.196 ( -0.655 -0.207 -3.232) 3.304 4.196 ( -0.655 -0.207 3.232) 3.304 4.263 ( -3.705 -1.251 -2.985) 4.919 4.263 ( -3.705 -1.251 2.985) 4.919 4.511 ( -4.060 -0.114 -3.398) 5.295 4.511 ( -4.060 -0.114 3.398) 5.295 4.738 ( 1.166 0.050 -5.664) 5.783 4.738 ( 1.166 0.050 5.664) 5.783 4.867 ( 1.359 1.449 -2.124) 2.908 4.867 ( 1.359 1.449 2.124) 2.908 5.102 ( 3.490 -0.350 -2.940) 4.577 5.102 ( 3.490 -0.350 2.940) 4.577 5.487 ( 1.174 -1.205 -2.206) 2.775 5.487 ( 1.174 -1.205 2.206) 2.775 5.788 ( 6.739 -0.616 -2.822) 7.333 5.788 ( 6.739 -0.616 2.822) 7.333 5.927 ( 1.056 -0.306 -0.133) 1.108 5.927 ( 1.056 -0.306 0.133) 1.108 5.994 ( -2.724 0.253 -0.963) 2.900 5.994 ( -2.724 0.253 0.963) 2.900 6.239 ( 3.504 -0.400 -5.696) 6.699 6.239 ( 3.504 -0.400 5.696) 6.699 ======================= Grid point 448 (135/147) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 7.825 -12.486) 14.735 0.846 ( -0.000 7.825 12.486) 14.735 1.022 ( -0.000 14.162 -8.262) 16.395 1.022 ( -0.000 14.162 8.262) 16.395 1.323 ( -0.000 3.762 -4.711) 6.028 1.323 ( -0.000 3.762 4.711) 6.028 1.576 ( 0.000 -3.032 -3.309) 4.488 1.576 ( 0.000 -3.032 3.309) 4.488 1.828 ( 0.000 -1.717 -2.205) 2.795 1.828 ( 0.000 -1.717 2.205) 2.795 2.013 ( -0.000 1.069 -7.398) 7.475 2.013 ( -0.000 1.069 7.398) 7.475 2.156 ( 0.000 -4.050 -12.021) 12.685 2.156 ( 0.000 -4.050 12.021) 12.685 2.316 ( 0.000 -6.447 -9.554) 11.526 2.316 ( 0.000 -6.447 9.554) 11.526 2.787 ( 0.000 -2.415 -4.826) 5.397 2.787 ( 0.000 -2.415 4.826) 5.397 3.226 ( -0.000 0.705 -2.183) 2.294 3.226 ( -0.000 0.705 2.183) 2.294 3.428 ( -0.000 0.919 -1.871) 2.085 3.428 ( -0.000 0.919 1.871) 2.085 3.535 ( -0.000 0.806 -2.376) 2.509 3.535 ( -0.000 0.806 2.376) 2.509 3.770 ( 0.000 -0.308 -1.450) 1.483 3.770 ( 0.000 -0.308 1.450) 1.483 4.181 ( 0.000 -1.057 -2.617) 2.823 4.181 ( 0.000 -1.057 2.617) 2.823 4.251 ( -0.000 0.171 -4.025) 4.029 4.251 ( -0.000 0.171 4.025) 4.029 4.478 ( 0.000 -1.886 -3.476) 3.954 4.478 ( 0.000 -1.886 3.476) 3.954 4.748 ( -0.000 0.637 -5.757) 5.793 4.748 ( -0.000 0.637 5.757) 5.793 4.871 ( -0.000 1.080 -2.148) 2.404 4.871 ( -0.000 1.080 2.148) 2.404 5.140 ( 0.000 -0.801 -3.139) 3.239 5.140 ( 0.000 -0.801 3.139) 3.239 5.501 ( 0.000 -0.519 -3.666) 3.702 5.501 ( 0.000 -0.519 3.666) 3.702 5.875 ( -0.000 0.131 -5.058) 5.060 5.875 ( -0.000 0.131 5.058) 5.060 5.937 ( -0.000 0.752 -0.597) 0.960 5.937 ( -0.000 0.752 0.597) 0.960 5.948 ( 0.000 -0.055 -0.726) 0.728 5.948 ( 0.000 -0.055 0.726) 0.728 6.283 ( 0.000 -1.574 -6.375) 6.566 6.283 ( 0.000 -1.574 6.375) 6.566 ======================= Grid point 462 (136/147) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -5.723 0.000 -1.597) 5.942 1.529 ( -5.723 0.000 1.597) 5.942 1.714 ( -3.170 0.000 -2.348) 3.945 1.714 ( -3.170 0.000 2.348) 3.945 1.876 ( -2.310 0.000 -2.228) 3.209 1.876 ( -2.310 0.000 2.228) 3.209 1.994 ( -1.140 0.000 -3.720) 3.890 1.994 ( -1.140 0.000 3.720) 3.890 2.240 ( -7.766 0.000 -7.098) 10.521 2.240 ( -7.766 0.000 7.098) 10.521 2.337 ( -6.350 0.000 -2.386) 6.784 2.337 ( -6.350 0.000 2.386) 6.784 2.467 ( 2.273 -0.000 -2.738) 3.559 2.467 ( 2.273 -0.000 2.738) 3.559 2.586 ( 1.253 -0.000 -1.205) 1.738 2.586 ( 1.253 -0.000 1.205) 1.738 2.784 ( 3.162 -0.000 -4.526) 5.521 2.784 ( 3.162 -0.000 4.526) 5.521 3.173 ( -2.724 0.000 -1.536) 3.127 3.173 ( -2.724 0.000 1.536) 3.127 3.301 ( 0.596 -0.000 -0.241) 0.643 3.301 ( 0.596 -0.000 0.241) 0.643 4.062 ( 6.979 -0.000 -1.844) 7.219 4.062 ( 6.979 -0.000 1.844) 7.219 4.329 ( -7.003 0.000 -0.933) 7.064 4.329 ( -7.003 0.000 0.933) 7.064 4.380 ( 1.664 -0.000 -1.036) 1.961 4.380 ( 1.664 -0.000 1.036) 1.961 4.576 ( -1.858 0.000 -2.712) 3.288 4.576 ( -1.858 0.000 2.712) 3.288 4.592 ( -2.304 0.000 -0.813) 2.443 4.592 ( -2.304 0.000 0.813) 2.443 4.654 ( -3.149 0.000 -2.783) 4.202 4.654 ( -3.149 0.000 2.783) 4.202 4.927 ( -3.181 0.000 -0.563) 3.230 4.927 ( -3.181 0.000 0.563) 3.230 5.094 ( 4.105 -0.000 -2.713) 4.921 5.094 ( 4.105 -0.000 2.713) 4.921 5.224 ( -0.418 0.000 -2.441) 2.477 5.224 ( -0.418 0.000 2.441) 2.477 5.626 ( -4.882 0.000 -2.088) 5.310 5.626 ( -4.882 0.000 2.088) 5.310 5.818 ( 0.964 -0.000 -0.254) 0.997 5.818 ( 0.964 -0.000 0.254) 0.997 5.926 ( 1.890 -0.000 -0.232) 1.905 5.926 ( 1.890 -0.000 0.232) 1.905 6.038 ( 2.601 -0.000 -0.859) 2.739 6.038 ( 2.601 -0.000 0.859) 2.739 ======================= Grid point 466 (137/147) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -8.340 0.298 -1.061) 8.412 1.391 ( -8.340 0.298 1.061) 8.412 1.640 ( -3.760 -1.520 -1.654) 4.380 1.640 ( -3.760 -1.520 1.654) 4.380 1.868 ( -0.528 0.351 -3.100) 3.164 1.868 ( -0.528 0.351 3.100) 3.164 1.928 ( -6.246 -0.501 -0.599) 6.295 1.928 ( -6.246 -0.501 0.599) 6.295 2.064 ( -9.626 -0.717 -6.808) 11.812 2.064 ( -9.626 -0.717 6.808) 11.812 2.239 ( -2.523 -0.517 -7.206) 7.652 2.239 ( -2.523 -0.517 7.206) 7.652 2.499 ( 0.131 0.739 -6.938) 6.979 2.499 ( 0.131 0.739 6.938) 6.979 2.625 ( 1.493 -0.292 -5.553) 5.758 2.625 ( 1.493 -0.292 5.553) 5.758 2.844 ( 3.706 1.545 -4.382) 5.944 2.844 ( 3.706 1.544 4.382) 5.944 3.059 ( -9.962 -0.740 -1.017) 10.041 3.059 ( -9.962 -0.740 1.017) 10.041 3.321 ( 1.275 -0.434 -0.539) 1.450 3.321 ( 1.275 -0.434 0.539) 1.450 4.120 ( -2.115 0.714 -0.332) 2.257 4.120 ( -2.115 0.714 0.332) 2.257 4.215 ( -3.826 1.050 -0.204) 3.973 4.215 ( -3.826 1.050 0.204) 3.973 4.389 ( -1.164 -0.609 -0.816) 1.547 4.389 ( -1.164 -0.609 0.816) 1.547 4.532 ( -0.540 1.502 -0.903) 1.834 4.532 ( -0.540 1.502 0.903) 1.834 4.594 ( 1.717 -0.683 -2.887) 3.427 4.594 ( 1.717 -0.683 2.887) 3.427 4.619 ( -0.915 -0.169 -1.681) 1.921 4.619 ( -0.915 -0.169 1.681) 1.921 4.883 ( -0.767 -0.518 -0.744) 1.188 4.883 ( -0.767 -0.518 0.744) 1.188 5.111 ( -2.820 1.921 -1.214) 3.621 5.111 ( -2.820 1.921 1.214) 3.621 5.235 ( 1.786 -2.766 -6.406) 7.202 5.235 ( 1.786 -2.766 6.406) 7.202 5.545 ( -3.098 -0.402 -2.769) 4.174 5.545 ( -3.098 -0.402 2.769) 4.174 5.842 ( 1.367 -0.142 -0.392) 1.429 5.842 ( 1.367 -0.142 0.392) 1.429 5.973 ( 2.877 -0.065 -0.169) 2.883 5.973 ( 2.877 -0.065 0.169) 2.883 6.084 ( 1.782 -0.349 -0.910) 2.031 6.084 ( 1.782 -0.349 0.910) 2.031 ======================= Grid point 468 (138/147) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -8.544 0.323 -2.388) 8.878 1.225 ( -8.544 0.323 2.388) 8.878 1.573 ( -4.241 2.220 -1.260) 4.950 1.573 ( -4.241 2.220 1.260) 4.950 1.733 ( -10.714 -1.816 -0.844) 10.900 1.733 ( -10.714 -1.816 0.844) 10.900 1.846 ( -6.004 -3.837 -3.582) 7.975 1.846 ( -6.004 -3.837 3.582) 7.975 1.955 ( -0.735 -0.337 -5.447) 5.506 1.955 ( -0.735 -0.337 5.447) 5.506 2.242 ( 1.533 -0.424 -8.543) 8.690 2.242 ( 1.533 -0.424 8.543) 8.690 2.438 ( -7.996 0.795 -4.308) 9.117 2.438 ( -7.996 0.795 4.308) 9.117 2.573 ( -7.671 0.001 -3.490) 8.427 2.573 ( -7.671 0.001 3.490) 8.427 2.829 ( -7.508 1.323 -2.319) 7.968 2.829 ( -7.508 1.323 2.319) 7.968 2.945 ( 3.978 -0.013 -2.946) 4.950 2.945 ( 3.978 -0.013 2.946) 4.950 3.351 ( 1.566 -0.308 -0.618) 1.712 3.351 ( 1.566 -0.308 0.618) 1.712 3.977 ( -9.819 1.359 -3.076) 10.379 3.977 ( -9.819 1.359 3.076) 10.379 4.162 ( -2.460 0.711 -1.472) 2.953 4.162 ( -2.460 0.711 1.472) 2.953 4.342 ( -3.927 0.155 -1.466) 4.194 4.342 ( -3.927 0.155 1.466) 4.194 4.506 ( -4.046 -1.197 -0.628) 4.266 4.506 ( -4.046 -1.197 0.628) 4.266 4.617 ( 1.529 0.345 -4.324) 4.600 4.617 ( 1.529 0.345 4.324) 4.600 4.684 ( 6.857 0.129 -4.379) 8.137 4.684 ( 6.857 0.129 4.379) 8.137 4.885 ( -2.528 -0.018 -0.717) 2.628 4.885 ( -2.528 -0.018 0.717) 2.628 4.996 ( -4.354 1.463 -0.536) 4.625 4.996 ( -4.354 1.463 0.536) 4.625 5.318 ( 4.433 -3.122 -7.177) 8.995 5.318 ( 4.433 -3.122 7.177) 8.995 5.531 ( 1.784 -0.919 -3.155) 3.739 5.531 ( 1.784 -0.919 3.155) 3.739 5.869 ( 1.311 -0.320 -0.135) 1.356 5.869 ( 1.311 -0.320 0.135) 1.356 6.029 ( 2.595 0.372 -0.239) 2.632 6.029 ( 2.595 0.372 0.239) 2.632 6.110 ( 1.044 -0.780 -1.676) 2.123 6.110 ( 1.044 -0.780 1.676) 2.123 ======================= Grid point 470 (139/147) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -7.542 0.286 -5.771) 9.500 1.068 ( -7.542 0.286 5.771) 9.500 1.436 ( -6.395 7.305 -2.659) 10.067 1.436 ( -6.395 7.305 2.659) 10.067 1.559 ( -8.139 -1.485 -2.270) 8.579 1.559 ( -8.139 -1.485 2.270) 8.579 1.765 ( -5.403 -6.028 -1.621) 8.256 1.765 ( -5.403 -6.028 1.621) 8.256 1.973 ( 0.790 -0.758 -2.954) 3.151 1.973 ( 0.790 -0.758 2.954) 3.151 2.131 ( -19.580 0.389 -2.283) 19.717 2.131 ( -19.580 0.389 2.283) 19.717 2.274 ( 0.876 0.547 -8.783) 8.844 2.274 ( 0.876 0.547 8.783) 8.844 2.409 ( -9.686 -1.189 -8.380) 12.863 2.409 ( -9.686 -1.189 8.380) 12.863 2.739 ( -1.864 -0.346 -4.024) 4.449 2.739 ( -1.864 -0.346 4.024) 4.449 3.046 ( 6.112 1.320 -0.553) 6.277 3.046 ( 6.112 1.320 0.553) 6.277 3.381 ( 1.703 0.500 -0.560) 1.861 3.381 ( 1.703 0.500 0.560) 1.861 3.785 ( -9.119 0.468 -3.687) 9.848 3.785 ( -9.119 0.468 3.687) 9.848 4.100 ( -4.866 -1.171 -0.828) 5.073 4.100 ( -4.866 -1.171 0.828) 5.073 4.245 ( -5.549 0.066 -3.646) 6.640 4.245 ( -5.549 0.066 3.646) 6.640 4.381 ( -9.002 -1.448 -2.877) 9.561 4.381 ( -9.002 -1.448 2.877) 9.561 4.619 ( -4.189 -0.043 -0.999) 4.306 4.619 ( -4.189 -0.043 0.999) 4.306 4.739 ( -2.584 1.585 -3.378) 4.538 4.739 ( -2.584 1.585 3.378) 4.538 4.828 ( 4.701 0.167 -2.360) 5.263 4.828 ( 4.701 0.167 2.360) 5.263 5.022 ( 4.285 0.517 -1.093) 4.453 5.022 ( 4.285 0.517 1.093) 4.453 5.412 ( 3.321 -2.433 -3.875) 5.654 5.412 ( 3.321 -2.433 3.875) 5.654 5.629 ( 7.281 -1.006 -2.051) 7.631 5.629 ( 7.281 -1.006 2.051) 7.631 5.896 ( 1.281 -0.436 -0.126) 1.359 5.896 ( 1.281 -0.436 0.126) 1.359 6.039 ( -1.282 0.301 -0.369) 1.367 6.039 ( -1.282 0.301 0.369) 1.367 6.162 ( 4.014 -0.236 -3.297) 5.200 6.162 ( 4.014 -0.236 3.297) 5.200 ======================= Grid point 472 (140/147) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -4.603 0.794 -9.247) 10.360 0.945 ( -4.603 0.794 9.247) 10.360 1.284 ( -4.302 9.428 -3.213) 10.849 1.284 ( -4.302 9.428 3.213) 10.849 1.435 ( -5.361 -0.078 -3.284) 6.287 1.435 ( -5.361 -0.078 3.284) 6.287 1.657 ( -9.952 -2.093 -2.954) 10.590 1.657 ( -9.952 -2.093 2.954) 10.590 1.826 ( -6.964 -2.477 -1.427) 7.528 1.826 ( -6.964 -2.477 1.427) 7.528 1.989 ( -1.935 -1.917 -2.106) 3.443 1.989 ( -1.935 -1.917 2.106) 3.443 2.212 ( -7.401 -2.260 -8.740) 11.674 2.212 ( -7.401 -2.260 8.740) 11.674 2.298 ( 0.071 3.224 -6.121) 6.919 2.298 ( 0.071 3.224 6.121) 6.919 2.737 ( 0.333 -2.060 -4.118) 4.617 2.737 ( 0.333 -2.060 4.118) 4.617 3.156 ( 5.939 0.891 -1.621) 6.221 3.156 ( 5.939 0.891 1.621) 6.221 3.413 ( 1.988 0.813 -1.332) 2.527 3.413 ( 1.988 0.813 1.332) 2.527 3.632 ( -6.919 -0.360 -2.195) 7.267 3.632 ( -6.919 -0.360 2.195) 7.267 3.920 ( -13.221 -1.067 -1.186) 13.317 3.920 ( -13.221 -1.067 1.186) 13.317 4.191 ( -0.810 -0.774 -4.033) 4.186 4.191 ( -0.810 -0.774 4.033) 4.186 4.243 ( -4.595 -2.052 -4.021) 6.442 4.243 ( -4.595 -2.052 4.021) 6.442 4.504 ( -5.442 -1.019 -3.258) 6.424 4.504 ( -5.442 -1.019 3.258) 6.424 4.741 ( 1.170 0.437 -5.358) 5.501 4.741 ( 1.170 0.437 5.358) 5.501 4.890 ( 2.227 2.510 -1.854) 3.834 4.890 ( 2.227 2.510 1.854) 3.834 5.101 ( 3.464 0.085 -3.379) 4.840 5.101 ( 3.464 0.085 3.379) 4.840 5.471 ( 1.669 -1.654 -2.065) 3.128 5.471 ( 1.669 -1.654 2.065) 3.128 5.780 ( 6.947 -0.820 -2.379) 7.389 5.780 ( 6.947 -0.820 2.379) 7.389 5.923 ( 1.226 -0.408 -0.121) 1.298 5.923 ( 1.226 -0.408 0.121) 1.298 5.997 ( -2.727 0.133 -0.795) 2.843 5.997 ( -2.727 0.133 0.795) 2.843 6.240 ( 3.573 0.417 -4.816) 6.011 6.240 ( 3.573 0.417 4.816) 6.011 ======================= Grid point 474 (141/147) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.000 1.654 -11.636) 11.753 0.895 ( -0.000 1.654 11.636) 11.753 1.173 ( -0.000 12.420 -4.856) 13.336 1.173 ( -0.000 12.420 4.856) 13.336 1.368 ( -0.000 3.168 -3.066) 4.408 1.368 ( -0.000 3.168 3.066) 4.408 1.546 ( 0.000 -2.129 -3.183) 3.829 1.546 ( 0.000 -2.129 3.183) 3.829 1.803 ( 0.000 -2.761 -2.050) 3.438 1.803 ( 0.000 -2.761 2.050) 3.438 1.972 ( 0.000 -5.528 -5.824) 8.030 1.972 ( 0.000 -5.528 5.824) 8.030 2.146 ( -0.000 0.440 -16.687) 16.692 2.146 ( -0.000 0.440 16.687) 16.692 2.288 ( -0.000 1.208 -10.448) 10.518 2.288 ( -0.000 1.208 10.448) 10.518 2.757 ( 0.000 -2.818 -4.362) 5.193 2.757 ( 0.000 -2.818 4.362) 5.193 3.230 ( -0.000 0.175 -1.362) 1.373 3.230 ( -0.000 0.175 1.362) 1.373 3.435 ( -0.000 0.542 -2.147) 2.215 3.435 ( -0.000 0.542 2.147) 2.215 3.544 ( -0.000 0.819 -1.990) 2.152 3.544 ( -0.000 0.819 1.990) 2.152 3.767 ( 0.000 -0.353 -1.008) 1.068 3.767 ( 0.000 -0.353 1.008) 1.068 4.170 ( 0.000 -0.840 -2.687) 2.816 4.170 ( 0.000 -0.840 2.687) 2.816 4.239 ( 0.000 -2.265 -5.509) 5.956 4.239 ( 0.000 -2.265 5.509) 5.956 4.456 ( 0.000 -1.946 -3.347) 3.872 4.456 ( 0.000 -1.946 3.347) 3.872 4.752 ( -0.000 0.193 -5.348) 5.351 4.752 ( -0.000 0.193 5.348) 5.351 4.894 ( -0.000 2.856 -1.825) 3.389 4.894 ( -0.000 2.856 1.825) 3.389 5.136 ( 0.000 -0.061 -3.692) 3.693 5.136 ( 0.000 -0.061 3.692) 3.693 5.493 ( 0.000 -0.968 -2.715) 2.882 5.493 ( 0.000 -0.968 2.715) 2.882 5.868 ( 0.000 -1.346 -3.834) 4.064 5.868 ( 0.000 -1.346 3.834) 4.064 5.945 ( -0.000 0.698 -0.581) 0.908 5.945 ( -0.000 0.698 0.581) 0.908 5.947 ( 0.000 -0.117 -0.971) 0.978 5.947 ( 0.000 -0.117 0.971) 0.978 6.276 ( -0.000 0.063 -5.934) 5.934 6.276 ( -0.000 0.063 5.934) 5.934 ======================= Grid point 492 (142/147) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -8.674 0.000 -2.356) 8.988 1.226 ( -8.674 0.000 2.356) 8.988 1.589 ( -1.332 0.000 -1.290) 1.855 1.589 ( -1.332 0.000 1.290) 1.855 1.720 ( -11.373 0.000 -0.551) 11.387 1.720 ( -11.373 0.000 0.551) 11.387 1.821 ( -8.095 0.000 -3.741) 8.917 1.821 ( -8.095 0.000 3.741) 8.917 1.955 ( -0.153 0.000 -5.441) 5.443 1.955 ( -0.153 0.000 5.441) 5.443 2.239 ( 1.715 -0.000 -9.374) 9.529 2.239 ( 1.715 -0.000 9.374) 9.529 2.443 ( -7.779 0.000 -4.792) 9.136 2.443 ( -7.779 0.000 4.792) 9.136 2.573 ( -8.226 0.000 -3.235) 8.839 2.573 ( -8.226 0.000 3.235) 8.839 2.837 ( -9.144 0.000 -2.390) 9.451 2.837 ( -9.144 0.000 2.390) 9.451 2.944 ( 5.558 -0.000 -2.548) 6.114 2.944 ( 5.558 -0.000 2.548) 6.114 3.349 ( 1.788 -0.000 -0.558) 1.873 3.349 ( 1.788 -0.000 0.558) 1.873 3.986 ( -9.921 0.000 -0.856) 9.958 3.986 ( -9.921 0.000 0.856) 9.958 4.166 ( -3.020 0.000 -1.223) 3.258 4.166 ( -3.020 0.000 1.223) 3.258 4.342 ( -3.765 0.000 -1.469) 4.042 4.342 ( -3.765 0.000 1.469) 4.042 4.498 ( -4.410 0.000 -0.327) 4.422 4.498 ( -4.410 0.000 0.327) 4.422 4.620 ( 1.459 -0.000 -4.432) 4.666 4.620 ( 1.459 -0.000 4.432) 4.666 4.684 ( 7.100 -0.000 -4.466) 8.388 4.684 ( 7.100 -0.000 4.466) 8.388 4.885 ( -2.096 0.000 -0.482) 2.150 4.885 ( -2.096 0.000 0.482) 2.150 5.005 ( -5.031 0.000 -0.166) 5.033 5.005 ( -5.031 0.000 0.166) 5.033 5.300 ( 4.973 -0.000 -7.584) 9.069 5.300 ( 4.973 -0.000 7.584) 9.069 5.526 ( 1.818 -0.000 -3.277) 3.748 5.526 ( 1.818 -0.000 3.277) 3.748 5.867 ( 1.309 -0.000 -0.078) 1.311 5.867 ( 1.309 -0.000 0.078) 1.311 6.031 ( 2.740 -0.000 -0.249) 2.751 6.031 ( 2.740 -0.000 0.249) 2.751 6.105 ( 1.034 -0.000 -1.393) 1.734 6.105 ( 1.034 -0.000 1.393) 1.734 ======================= Grid point 496 (143/147) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -7.734 -0.114 -4.726) 9.064 1.068 ( -7.734 -0.114 4.726) 9.064 1.499 ( -9.003 2.305 -2.169) 9.543 1.499 ( -9.003 2.305 2.169) 9.543 1.568 ( -2.642 3.788 -3.024) 5.520 1.568 ( -2.642 3.788 3.024) 5.520 1.689 ( -6.164 -6.452 -1.923) 9.128 1.689 ( -6.164 -6.452 1.923) 9.128 1.969 ( 0.649 -0.028 -2.461) 2.545 1.969 ( 0.649 -0.028 2.461) 2.545 2.134 ( -20.290 0.178 -2.914) 20.499 2.134 ( -20.290 0.178 2.914) 20.499 2.278 ( 0.572 0.160 -10.099) 10.117 2.278 ( 0.572 0.160 10.099) 10.117 2.401 ( -8.554 -0.233 -6.610) 10.813 2.401 ( -8.554 -0.233 6.610) 10.813 2.736 ( -2.544 -0.150 -4.410) 5.093 2.736 ( -2.544 -0.150 4.410) 5.093 3.057 ( 6.000 0.514 -0.378) 6.034 3.057 ( 6.000 0.514 0.378) 6.034 3.385 ( 1.996 0.196 -0.465) 2.059 3.385 ( 1.996 0.196 0.465) 2.059 3.791 ( -9.677 0.360 -1.536) 9.805 3.791 ( -9.677 0.360 1.536) 9.805 4.090 ( -5.518 -0.530 -1.234) 5.679 4.090 ( -5.518 -0.530 1.234) 5.679 4.245 ( -5.888 -0.018 -3.813) 7.015 4.245 ( -5.888 -0.018 3.813) 7.015 4.368 ( -8.746 -0.693 -3.245) 9.354 4.368 ( -8.746 -0.693 3.245) 9.354 4.617 ( -4.618 -0.178 -0.600) 4.660 4.617 ( -4.618 -0.178 0.600) 4.660 4.753 ( -3.814 0.648 -3.024) 4.910 4.753 ( -3.814 0.648 3.024) 4.910 4.831 ( 6.527 0.201 -2.468) 6.981 4.831 ( 6.527 0.201 2.468) 6.981 5.027 ( 4.003 0.281 -1.145) 4.173 5.027 ( 4.003 0.281 1.145) 4.173 5.391 ( 3.773 -1.034 -4.922) 6.288 5.391 ( 3.773 -1.034 4.922) 6.288 5.622 ( 7.544 -0.269 -2.589) 7.980 5.622 ( 7.544 -0.269 2.589) 7.980 5.892 ( 1.289 -0.161 -0.196) 1.314 5.892 ( 1.289 -0.161 0.196) 1.314 6.041 ( -1.527 0.075 -0.533) 1.619 6.041 ( -1.527 0.075 0.533) 1.619 6.161 ( 4.523 -0.044 -2.665) 5.250 6.161 ( 4.523 -0.044 2.665) 5.250 ======================= Grid point 498 (144/147) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -4.779 -0.263 -6.718) 8.248 0.945 ( -4.779 -0.263 6.718) 8.248 1.355 ( -4.416 1.815 -2.447) 5.365 1.355 ( -4.416 1.815 2.447) 5.365 1.453 ( -5.944 4.664 -2.400) 7.927 1.453 ( -5.944 4.664 2.400) 7.927 1.624 ( -6.586 -3.582 -2.916) 8.044 1.624 ( -6.586 -3.582 2.916) 8.044 1.800 ( -9.181 -2.084 -1.201) 9.490 1.800 ( -9.181 -2.084 1.201) 9.490 1.985 ( -0.785 0.935 -0.816) 1.468 1.985 ( -0.785 0.935 0.816) 1.468 2.184 ( -7.856 -2.310 -3.124) 8.764 2.184 ( -7.856 -2.310 3.124) 8.764 2.338 ( 0.877 2.986 -3.723) 4.853 2.338 ( 0.877 2.986 3.723) 4.853 2.717 ( -0.243 -1.310 -3.978) 4.195 2.717 ( -0.243 -1.310 3.978) 4.195 3.164 ( 5.485 0.560 -1.765) 5.789 3.164 ( 5.485 0.560 1.765) 5.789 3.421 ( 1.907 0.597 -1.732) 2.645 3.421 ( 1.907 0.597 1.732) 2.645 3.630 ( -6.744 -0.031 -1.670) 6.948 3.630 ( -6.744 -0.031 1.670) 6.948 3.910 ( -12.511 -0.650 -0.889) 12.560 3.910 ( -12.511 -0.650 0.889) 12.560 4.179 ( -0.760 -1.103 -4.447) 4.645 4.179 ( -0.760 -1.103 4.447) 4.645 4.224 ( -5.664 -1.207 -3.664) 6.853 4.224 ( -5.664 -1.207 3.664) 6.853 4.492 ( -5.957 -0.891 -3.061) 6.756 4.492 ( -5.957 -0.891 3.061) 6.756 4.746 ( 0.938 0.377 -5.013) 5.113 4.746 ( 0.938 0.377 5.013) 5.113 4.918 ( 3.032 2.144 -1.408) 3.971 4.918 ( 3.032 2.144 1.408) 3.971 5.102 ( 3.307 -0.013 -3.639) 4.918 5.102 ( 3.307 -0.013 3.639) 4.918 5.453 ( 2.048 -1.301 -2.995) 3.855 5.453 ( 2.048 -1.301 2.995) 3.855 5.772 ( 6.715 -0.520 -2.732) 7.268 5.772 ( 6.715 -0.520 2.732) 7.268 5.919 ( 1.368 -0.248 -0.141) 1.397 5.919 ( 1.368 -0.248 0.141) 1.397 5.998 ( -2.624 0.062 -0.626) 2.698 5.998 ( -2.624 0.062 0.626) 2.698 6.245 ( 3.771 0.450 -3.888) 5.435 6.245 ( 3.771 0.450 3.888) 5.435 ======================= Grid point 500 (145/147) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 -0.203 -8.536) 8.538 0.900 ( 0.000 -0.203 8.536) 8.538 1.289 ( -0.000 7.715 -1.961) 7.960 1.289 ( -0.000 7.715 1.961) 7.960 1.373 ( 0.000 -2.313 -4.990) 5.500 1.373 ( 0.000 -2.313 4.990) 5.500 1.536 ( -0.000 0.698 -3.451) 3.521 1.536 ( -0.000 0.698 3.451) 3.521 1.767 ( 0.000 -3.661 -1.475) 3.947 1.767 ( 0.000 -3.661 1.475) 3.947 1.946 ( -0.000 1.402 -5.637) 5.809 1.946 ( -0.000 1.402 5.637) 5.809 2.130 ( 0.000 -3.257 -7.844) 8.494 2.130 ( 0.000 -3.257 7.844) 8.494 2.327 ( -0.000 4.424 -7.927) 9.077 2.327 ( -0.000 4.424 7.927) 9.077 2.727 ( 0.000 -2.270 -3.942) 4.549 2.727 ( 0.000 -2.270 3.942) 4.549 3.231 ( -0.000 0.044 -1.678) 1.678 3.231 ( -0.000 0.044 1.678) 1.678 3.441 ( -0.000 0.542 -2.153) 2.221 3.441 ( -0.000 0.542 2.153) 2.221 3.552 ( -0.000 0.631 -1.625) 1.743 3.552 ( -0.000 0.631 1.625) 1.743 3.763 ( 0.000 -0.310 -0.577) 0.655 3.763 ( 0.000 -0.310 0.577) 0.655 4.162 ( 0.000 -0.474 -2.669) 2.711 4.162 ( 0.000 -0.474 2.669) 2.711 4.206 ( 0.000 -3.291 -5.204) 6.158 4.206 ( 0.000 -3.291 5.204) 6.158 4.437 ( 0.000 -1.503 -3.198) 3.533 4.437 ( 0.000 -1.503 3.198) 3.533 4.754 ( -0.000 0.278 -4.981) 4.989 4.754 ( -0.000 0.278 4.981) 4.989 4.930 ( -0.000 3.227 -1.885) 3.737 4.930 ( -0.000 3.227 1.885) 3.737 5.136 ( 0.000 -0.055 -4.237) 4.238 5.136 ( 0.000 -0.055 4.237) 4.238 5.480 ( 0.000 -1.247 -2.498) 2.792 5.480 ( 0.000 -1.247 2.498) 2.792 5.850 ( 0.000 -1.521 -3.065) 3.421 5.850 ( 0.000 -1.521 3.065) 3.421 5.946 ( -0.000 0.012 -1.148) 1.148 5.946 ( -0.000 0.012 1.148) 1.148 5.952 ( -0.000 0.489 -0.569) 0.750 5.952 ( -0.000 0.489 0.569) 0.750 6.281 ( -0.000 0.654 -4.857) 4.900 6.281 ( -0.000 0.654 4.857) 4.900 ======================= Grid point 522 (146/147) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -4.758 0.000 -5.296) 7.120 0.943 ( -4.758 0.000 5.296) 7.120 1.356 ( -4.811 0.000 -2.888) 5.611 1.356 ( -4.811 0.000 2.888) 5.611 1.497 ( -9.820 0.000 -0.095) 9.820 1.497 ( -9.820 0.000 0.095) 9.820 1.594 ( -1.223 0.000 -3.768) 3.961 1.594 ( -1.223 0.000 3.768) 3.961 1.787 ( -10.478 0.000 -2.210) 10.709 1.787 ( -10.478 0.000 2.210) 10.709 1.994 ( 0.506 -0.000 -1.029) 1.147 1.994 ( 0.506 -0.000 1.029) 1.147 2.169 ( -8.792 0.000 -1.768) 8.968 2.169 ( -8.792 0.000 1.768) 8.968 2.355 ( 1.279 -0.000 -1.239) 1.781 2.355 ( 1.279 -0.000 1.239) 1.781 2.709 ( -0.457 0.000 -3.932) 3.958 2.709 ( -0.457 0.000 3.932) 3.958 3.168 ( 5.310 -0.000 -1.858) 5.626 3.168 ( 5.310 -0.000 1.858) 5.626 3.425 ( 1.898 -0.000 -1.976) 2.740 3.425 ( 1.898 -0.000 1.976) 2.740 3.630 ( -6.736 0.000 -1.064) 6.819 3.630 ( -6.736 0.000 1.064) 6.819 3.906 ( -12.234 0.000 -0.797) 12.260 3.906 ( -12.234 0.000 0.797) 12.260 4.172 ( -1.027 0.000 -4.377) 4.496 4.172 ( -1.027 0.000 4.377) 4.496 4.217 ( -5.821 0.000 -3.311) 6.697 4.217 ( -5.821 0.000 3.311) 6.697 4.487 ( -6.080 0.000 -2.971) 6.767 4.487 ( -6.080 0.000 2.971) 6.767 4.748 ( 0.839 -0.000 -4.863) 4.935 4.748 ( 0.839 -0.000 4.863) 4.935 4.931 ( 3.375 -0.000 -0.056) 3.376 4.931 ( 3.375 -0.000 0.056) 3.376 5.101 ( 3.196 -0.000 -3.668) 4.865 5.101 ( 3.196 -0.000 3.668) 4.865 5.445 ( 2.174 -0.000 -3.555) 4.167 5.445 ( 2.174 -0.000 3.555) 4.167 5.769 ( 6.566 -0.000 -3.042) 7.237 5.769 ( 6.566 -0.000 3.042) 7.237 5.917 ( 1.436 -0.000 -0.117) 1.441 5.917 ( 1.436 -0.000 0.117) 1.441 5.998 ( -2.567 0.000 -0.470) 2.610 5.998 ( -2.567 0.000 0.470) 2.610 6.248 ( 3.861 -0.000 -3.512) 5.219 6.248 ( 3.861 -0.000 3.512) 5.219 ======================= Grid point 526 (147/147) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 -0.098 -5.820) 5.821 0.898 ( 0.000 -0.098 5.820) 5.821 1.340 ( 0.000 -2.199 -5.859) 6.258 1.340 ( 0.000 -2.199 5.859) 6.258 1.341 ( -0.000 2.012 -0.472) 2.066 1.341 ( -0.000 2.012 0.472) 2.066 1.557 ( -0.000 2.062 -3.221) 3.824 1.557 ( -0.000 2.062 3.221) 3.824 1.729 ( 0.000 -2.460 -0.805) 2.588 1.729 ( 0.000 -2.460 0.805) 2.588 1.986 ( -0.000 4.177 -1.650) 4.491 1.986 ( -0.000 4.177 1.650) 4.491 2.085 ( 0.000 -3.974 -5.556) 6.831 2.085 ( 0.000 -3.974 5.556) 6.831 2.365 ( -0.000 1.961 -3.309) 3.847 2.365 ( -0.000 1.961 3.310) 3.847 2.709 ( 0.000 -0.861 -3.776) 3.873 2.709 ( 0.000 -0.861 3.776) 3.873 3.232 ( -0.000 0.033 -2.325) 2.326 3.232 ( -0.000 0.033 2.325) 2.326 3.446 ( -0.000 0.281 -2.362) 2.378 3.446 ( -0.000 0.281 2.362) 2.378 3.557 ( -0.000 0.241 -1.396) 1.416 3.557 ( -0.000 0.241 1.396) 1.416 3.760 ( 0.000 -0.129 -0.302) 0.328 3.760 ( 0.000 -0.129 0.302) 0.328 4.159 ( 0.000 -0.140 -2.628) 2.631 4.159 ( 0.000 -0.140 2.628) 2.631 4.176 ( 0.000 -1.561 -4.169) 4.451 4.176 ( 0.000 -1.561 4.169) 4.451 4.425 ( 0.000 -0.572 -3.094) 3.146 4.425 ( 0.000 -0.572 3.094) 3.146 4.757 ( -0.000 0.127 -4.751) 4.752 4.757 ( -0.000 0.127 4.751) 4.752 4.959 ( -0.000 1.518 -1.331) 2.019 4.959 ( -0.000 1.518 1.331) 2.019 5.134 ( 0.000 -0.127 -4.620) 4.622 5.134 ( 0.000 -0.127 4.620) 4.622 5.469 ( 0.000 -0.618 -3.159) 3.218 5.469 ( 0.000 -0.618 3.159) 3.218 5.838 ( 0.000 -0.607 -3.215) 3.271 5.838 ( 0.000 -0.607 3.215) 3.271 5.947 ( -0.000 0.024 -1.267) 1.267 5.947 ( -0.000 0.024 1.267) 1.267 5.956 ( -0.000 0.175 -0.563) 0.589 5.956 ( -0.000 0.175 0.563) 0.589 6.287 ( -0.000 0.324 -4.082) 4.094 6.287 ( -0.000 0.324 4.082) 4.094 =================== 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 3/32448 10.0 325.835 586.918 208.044 0.000 0.000 -0.000 3/32448 20.0 97.117 83.386 38.925 0.000 0.000 -0.000 3/32448 30.0 46.181 31.056 17.814 0.000 0.000 -0.000 3/32448 40.0 27.895 16.841 11.033 0.000 0.000 -0.000 3/32448 50.0 19.334 11.066 7.840 0.000 0.000 -0.000 3/32448 60.0 14.645 8.126 6.043 0.000 0.000 -0.000 3/32448 70.0 11.771 6.399 4.912 0.000 0.000 -0.000 3/32448 80.0 9.853 5.279 4.143 0.000 0.000 -0.000 3/32448 90.0 8.488 4.499 3.589 0.000 0.000 -0.000 3/32448 100.0 7.468 3.925 3.170 0.000 0.000 -0.000 3/32448 110.0 6.676 3.486 2.842 0.000 0.000 -0.000 3/32448 120.0 6.043 3.138 2.578 0.000 0.000 -0.000 3/32448 130.0 5.524 2.857 2.361 0.000 0.000 -0.000 3/32448 140.0 5.091 2.623 2.179 0.000 0.000 -0.000 3/32448 150.0 4.723 2.426 2.024 0.000 0.000 -0.000 3/32448 160.0 4.407 2.258 1.891 0.000 0.000 -0.000 3/32448 170.0 4.132 2.112 1.774 0.000 0.000 -0.000 3/32448 180.0 3.890 1.985 1.672 0.000 0.000 -0.000 3/32448 190.0 3.676 1.872 1.580 0.000 0.000 -0.000 3/32448 200.0 3.485 1.772 1.499 0.000 0.000 -0.000 3/32448 210.0 3.313 1.682 1.426 0.000 0.000 -0.000 3/32448 220.0 3.158 1.602 1.360 0.000 0.000 -0.000 3/32448 230.0 3.017 1.529 1.299 0.000 0.000 -0.000 3/32448 240.0 2.888 1.462 1.244 0.000 0.000 -0.000 3/32448 250.0 2.770 1.401 1.194 0.000 0.000 -0.000 3/32448 260.0 2.661 1.345 1.147 0.000 0.000 -0.000 3/32448 270.0 2.561 1.293 1.105 0.000 0.000 -0.000 3/32448 280.0 2.468 1.246 1.065 0.000 0.000 -0.000 3/32448 290.0 2.382 1.202 1.028 0.000 0.000 -0.000 3/32448 300.0 2.302 1.160 0.993 0.000 0.000 -0.000 3/32448 310.0 2.226 1.122 0.961 0.000 0.000 -0.000 3/32448 320.0 2.156 1.086 0.931 0.000 0.000 -0.000 3/32448 330.0 2.090 1.052 0.903 0.000 0.000 -0.000 3/32448 340.0 2.028 1.021 0.876 0.000 0.000 -0.000 3/32448 350.0 1.970 0.991 0.851 0.000 0.000 -0.000 3/32448 360.0 1.915 0.963 0.827 0.000 0.000 -0.000 3/32448 370.0 1.863 0.937 0.805 0.000 0.000 -0.000 3/32448 380.0 1.814 0.912 0.784 0.000 0.000 -0.000 3/32448 390.0 1.767 0.888 0.764 0.000 0.000 -0.000 3/32448 400.0 1.723 0.865 0.745 0.000 0.000 -0.000 3/32448 410.0 1.681 0.844 0.727 0.000 0.000 -0.000 3/32448 420.0 1.641 0.824 0.709 0.000 0.000 -0.000 3/32448 430.0 1.602 0.804 0.693 0.000 0.000 -0.000 3/32448 440.0 1.566 0.786 0.677 0.000 0.000 -0.000 3/32448 450.0 1.531 0.768 0.662 0.000 0.000 -0.000 3/32448 460.0 1.498 0.751 0.648 0.000 0.000 -0.000 3/32448 470.0 1.466 0.735 0.634 0.000 0.000 -0.000 3/32448 480.0 1.435 0.720 0.621 0.000 0.000 -0.000 3/32448 490.0 1.406 0.705 0.608 0.000 0.000 -0.000 3/32448 500.0 1.378 0.691 0.596 0.000 0.000 -0.000 3/32448 510.0 1.351 0.677 0.584 0.000 0.000 -0.000 3/32448 520.0 1.325 0.664 0.573 0.000 0.000 -0.000 3/32448 530.0 1.300 0.651 0.562 0.000 0.000 -0.000 3/32448 540.0 1.276 0.639 0.552 0.000 0.000 -0.000 3/32448 550.0 1.253 0.628 0.542 0.000 0.000 -0.000 3/32448 560.0 1.230 0.616 0.532 0.000 0.000 -0.000 3/32448 570.0 1.209 0.605 0.523 0.000 0.000 -0.000 3/32448 580.0 1.188 0.595 0.514 0.000 0.000 -0.000 3/32448 590.0 1.168 0.585 0.505 0.000 0.000 -0.000 3/32448 600.0 1.148 0.575 0.497 0.000 0.000 -0.000 3/32448 610.0 1.130 0.566 0.489 0.000 0.000 -0.000 3/32448 620.0 1.111 0.556 0.481 0.000 0.000 -0.000 3/32448 630.0 1.094 0.547 0.473 0.000 0.000 -0.000 3/32448 640.0 1.077 0.539 0.466 0.000 0.000 -0.000 3/32448 650.0 1.060 0.531 0.459 0.000 0.000 -0.000 3/32448 660.0 1.044 0.523 0.452 0.000 0.000 -0.000 3/32448 670.0 1.029 0.515 0.445 0.000 0.000 -0.000 3/32448 680.0 1.013 0.507 0.439 0.000 0.000 -0.000 3/32448 690.0 0.999 0.500 0.432 0.000 0.000 -0.000 3/32448 700.0 0.985 0.493 0.426 0.000 0.000 -0.000 3/32448 710.0 0.971 0.486 0.420 0.000 0.000 -0.000 3/32448 720.0 0.957 0.479 0.415 0.000 0.000 -0.000 3/32448 730.0 0.944 0.472 0.409 0.000 0.000 -0.000 3/32448 740.0 0.931 0.466 0.403 0.000 0.000 -0.000 3/32448 750.0 0.919 0.460 0.398 0.000 0.000 -0.000 3/32448 760.0 0.907 0.454 0.393 0.000 0.000 -0.000 3/32448 770.0 0.895 0.448 0.388 0.000 0.000 -0.000 3/32448 780.0 0.884 0.442 0.383 0.000 0.000 -0.000 3/32448 790.0 0.873 0.436 0.378 0.000 0.000 -0.000 3/32448 800.0 0.862 0.431 0.373 0.000 0.000 -0.000 3/32448 810.0 0.851 0.426 0.369 0.000 0.000 -0.000 3/32448 820.0 0.841 0.420 0.364 0.000 0.000 -0.000 3/32448 830.0 0.831 0.415 0.360 0.000 0.000 -0.000 3/32448 840.0 0.821 0.410 0.356 0.000 0.000 -0.000 3/32448 850.0 0.811 0.406 0.351 0.000 0.000 -0.000 3/32448 860.0 0.802 0.401 0.347 0.000 0.000 -0.000 3/32448 870.0 0.793 0.396 0.343 0.000 0.000 -0.000 3/32448 880.0 0.784 0.392 0.339 0.000 0.000 -0.000 3/32448 890.0 0.775 0.387 0.336 0.000 0.000 -0.000 3/32448 900.0 0.766 0.383 0.332 0.000 0.000 -0.000 3/32448 910.0 0.758 0.379 0.328 0.000 0.000 -0.000 3/32448 920.0 0.750 0.375 0.325 0.000 0.000 -0.000 3/32448 930.0 0.742 0.371 0.321 0.000 0.000 -0.000 3/32448 940.0 0.734 0.367 0.318 0.000 0.000 -0.000 3/32448 950.0 0.726 0.363 0.315 0.000 0.000 -0.000 3/32448 960.0 0.719 0.359 0.311 0.000 0.000 -0.000 3/32448 970.0 0.711 0.355 0.308 0.000 0.000 -0.000 3/32448 980.0 0.704 0.352 0.305 0.000 0.000 -0.000 3/32448 990.0 0.697 0.348 0.302 0.000 0.000 -0.000 3/32448 1000.0 0.690 0.345 0.299 0.000 0.000 -0.000 3/32448 Thermal conductivity related properties were written into "kappa-m13134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:10:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|