----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:48:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 2.037034515000000 -7.043585439999998 0.000000000000000 b 2.037034515000000 7.043585439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): *1 Cu 0.16343164749435 0.83656835250565 0.75000000000000 63.546 2 Cu 0.83656835250565 0.16343164749435 0.25000000000000 63.546 *3 Se 0.42954979393514 0.57045020606486 0.25000000000000 78.960 4 Se 0.57045020606486 0.42954979393514 0.75000000000000 78.960 *5 Se 0.73813292002130 0.26186707997870 0.10930824424107 78.960 6 Se 0.26186707997870 0.73813292002130 0.89069175575893 78.960 *7 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 9 Se 0.73813292002130 0.26186707997870 0.39069175575893 78.960 10 Se 0.26186707997870 0.73813292002130 0.60930824424107 78.960 *11 Rb 0.88942549776404 0.11057450223596 0.75000000000000 85.468 12 Rb 0.11057450223596 0.88942549776404 0.25000000000000 85.468 *13 Dy 0.36645209149179 0.63354790850821 0.06344203418655 162.500 14 Dy 0.63354790850821 0.36645209149179 0.93655796581345 162.500 15 Dy 0.36645209149179 0.63354790850821 0.43655796581345 162.500 16 Dy 0.63354790850821 0.36645209149179 0.56344203418655 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.074069030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.087170879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): *1 Cu 0.50000000000000 0.33656835250565 0.75000000000000 63.546 > 1 2 Cu 0.00000000000000 0.16343164749435 0.25000000000000 63.546 > 2 3 Cu 0.00000000000000 0.83656835250565 0.75000000000000 63.546 > 1 4 Cu 0.50000000000000 0.66343164749435 0.25000000000000 63.546 > 2 *5 Se 0.50000000000000 0.07045020606486 0.25000000000000 78.960 > 3 6 Se 0.00000000000000 0.42954979393514 0.75000000000000 78.960 > 4 *7 Se 0.00000000000000 0.26186707997870 0.10930824424107 78.960 > 5 8 Se 0.50000000000000 0.23813292002130 0.89069175575893 78.960 > 6 *9 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 7 10 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 8 11 Se 0.00000000000000 0.26186707997870 0.39069175575893 78.960 > 9 12 Se 0.50000000000000 0.23813292002130 0.60930824424107 78.960 > 10 13 Se 0.00000000000000 0.57045020606486 0.25000000000000 78.960 > 3 14 Se 0.50000000000000 0.92954979393514 0.75000000000000 78.960 > 4 15 Se 0.50000000000000 0.76186707997870 0.10930824424107 78.960 > 5 16 Se 0.00000000000000 0.73813292002130 0.89069175575893 78.960 > 6 17 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 7 18 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 8 19 Se 0.50000000000000 0.76186707997870 0.39069175575893 78.960 > 9 20 Se 0.00000000000000 0.73813292002130 0.60930824424107 78.960 > 10 *21 Rb 0.00000000000000 0.11057450223596 0.75000000000000 85.468 > 11 22 Rb 0.50000000000000 0.38942549776404 0.25000000000000 85.468 > 12 23 Rb 0.50000000000000 0.61057450223596 0.75000000000000 85.468 > 11 24 Rb 0.00000000000000 0.88942549776404 0.25000000000000 85.468 > 12 *25 Dy 0.50000000000000 0.13354790850821 0.06344203418655 162.500 > 13 26 Dy 0.00000000000000 0.36645209149179 0.93655796581345 162.500 > 14 27 Dy 0.50000000000000 0.13354790850821 0.43655796581345 162.500 > 15 28 Dy 0.00000000000000 0.36645209149179 0.56344203418655 162.500 > 16 29 Dy 0.00000000000000 0.63354790850821 0.06344203418655 162.500 > 13 30 Dy 0.50000000000000 0.86645209149179 0.93655796581345 162.500 > 14 31 Dy 0.00000000000000 0.63354790850821 0.43655796581345 162.500 > 15 32 Dy 0.50000000000000 0.86645209149179 0.56344203418655 162.500 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.296276120000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.087170879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): *1 Cu 0.12500000000000 0.33656835250565 0.75000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33656835250565 0.75000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33656835250565 0.75000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33656835250565 0.75000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16343164749435 0.25000000000000 63.546 > 2 6 Cu 0.25000000000000 0.16343164749435 0.25000000000000 63.546 > 2 7 Cu 0.50000000000000 0.16343164749435 0.25000000000000 63.546 > 2 8 Cu 0.75000000000000 0.16343164749435 0.25000000000000 63.546 > 2 9 Cu 0.00000000000000 0.83656835250565 0.75000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83656835250565 0.75000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83656835250565 0.75000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83656835250565 0.75000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66343164749435 0.25000000000000 63.546 > 2 14 Cu 0.37500000000000 0.66343164749435 0.25000000000000 63.546 > 2 15 Cu 0.62500000000000 0.66343164749435 0.25000000000000 63.546 > 2 16 Cu 0.87500000000000 0.66343164749435 0.25000000000000 63.546 > 2 *17 Se 0.12500000000000 0.07045020606486 0.25000000000000 78.960 > 3 18 Se 0.37500000000000 0.07045020606486 0.25000000000000 78.960 > 3 19 Se 0.62500000000000 0.07045020606486 0.25000000000000 78.960 > 3 20 Se 0.87500000000000 0.07045020606486 0.25000000000000 78.960 > 3 21 Se 0.00000000000000 0.42954979393514 0.75000000000000 78.960 > 4 22 Se 0.25000000000000 0.42954979393514 0.75000000000000 78.960 > 4 23 Se 0.50000000000000 0.42954979393514 0.75000000000000 78.960 > 4 24 Se 0.75000000000000 0.42954979393514 0.75000000000000 78.960 > 4 *25 Se 0.00000000000000 0.26186707997870 0.10930824424107 78.960 > 5 26 Se 0.25000000000000 0.26186707997870 0.10930824424107 78.960 > 5 27 Se 0.50000000000000 0.26186707997870 0.10930824424107 78.960 > 5 28 Se 0.75000000000000 0.26186707997870 0.10930824424107 78.960 > 5 29 Se 0.12500000000000 0.23813292002130 0.89069175575893 78.960 > 6 30 Se 0.37500000000000 0.23813292002130 0.89069175575893 78.960 > 6 31 Se 0.62500000000000 0.23813292002130 0.89069175575893 78.960 > 6 32 Se 0.87500000000000 0.23813292002130 0.89069175575893 78.960 > 6 *33 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 7 34 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 7 35 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 7 36 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 7 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 8 38 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 8 39 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 8 40 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 8 41 Se 0.00000000000000 0.26186707997870 0.39069175575893 78.960 > 9 42 Se 0.25000000000000 0.26186707997870 0.39069175575893 78.960 > 9 43 Se 0.50000000000000 0.26186707997870 0.39069175575893 78.960 > 9 44 Se 0.75000000000000 0.26186707997870 0.39069175575893 78.960 > 9 45 Se 0.12500000000000 0.23813292002130 0.60930824424107 78.960 > 10 46 Se 0.37500000000000 0.23813292002130 0.60930824424107 78.960 > 10 47 Se 0.62500000000000 0.23813292002130 0.60930824424107 78.960 > 10 48 Se 0.87500000000000 0.23813292002130 0.60930824424107 78.960 > 10 49 Se 0.00000000000000 0.57045020606486 0.25000000000000 78.960 > 3 50 Se 0.25000000000000 0.57045020606486 0.25000000000000 78.960 > 3 51 Se 0.50000000000000 0.57045020606486 0.25000000000000 78.960 > 3 52 Se 0.75000000000000 0.57045020606486 0.25000000000000 78.960 > 3 53 Se 0.12500000000000 0.92954979393514 0.75000000000000 78.960 > 4 54 Se 0.37500000000000 0.92954979393514 0.75000000000000 78.960 > 4 55 Se 0.62500000000000 0.92954979393514 0.75000000000000 78.960 > 4 56 Se 0.87500000000000 0.92954979393514 0.75000000000000 78.960 > 4 57 Se 0.12500000000000 0.76186707997870 0.10930824424107 78.960 > 5 58 Se 0.37500000000000 0.76186707997870 0.10930824424107 78.960 > 5 59 Se 0.62500000000000 0.76186707997870 0.10930824424107 78.960 > 5 60 Se 0.87500000000000 0.76186707997870 0.10930824424107 78.960 > 5 61 Se 0.00000000000000 0.73813292002130 0.89069175575893 78.960 > 6 62 Se 0.25000000000000 0.73813292002130 0.89069175575893 78.960 > 6 63 Se 0.50000000000000 0.73813292002130 0.89069175575893 78.960 > 6 64 Se 0.75000000000000 0.73813292002130 0.89069175575893 78.960 > 6 65 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 7 66 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 7 67 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 7 68 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 7 69 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 8 70 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 8 71 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 8 72 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 8 73 Se 0.12500000000000 0.76186707997870 0.39069175575893 78.960 > 9 74 Se 0.37500000000000 0.76186707997870 0.39069175575893 78.960 > 9 75 Se 0.62500000000000 0.76186707997870 0.39069175575893 78.960 > 9 76 Se 0.87500000000000 0.76186707997870 0.39069175575893 78.960 > 9 77 Se 0.00000000000000 0.73813292002130 0.60930824424107 78.960 > 10 78 Se 0.25000000000000 0.73813292002130 0.60930824424107 78.960 > 10 79 Se 0.50000000000000 0.73813292002130 0.60930824424107 78.960 > 10 80 Se 0.75000000000000 0.73813292002130 0.60930824424107 78.960 > 10 *81 Rb 0.00000000000000 0.11057450223596 0.75000000000000 85.468 > 11 82 Rb 0.25000000000000 0.11057450223596 0.75000000000000 85.468 > 11 83 Rb 0.50000000000000 0.11057450223596 0.75000000000000 85.468 > 11 84 Rb 0.75000000000000 0.11057450223596 0.75000000000000 85.468 > 11 85 Rb 0.12500000000000 0.38942549776404 0.25000000000000 85.468 > 12 86 Rb 0.37500000000000 0.38942549776404 0.25000000000000 85.468 > 12 87 Rb 0.62500000000000 0.38942549776404 0.25000000000000 85.468 > 12 88 Rb 0.87500000000000 0.38942549776404 0.25000000000000 85.468 > 12 89 Rb 0.12500000000000 0.61057450223596 0.75000000000000 85.468 > 11 90 Rb 0.37500000000000 0.61057450223596 0.75000000000000 85.468 > 11 91 Rb 0.62500000000000 0.61057450223596 0.75000000000000 85.468 > 11 92 Rb 0.87500000000000 0.61057450223596 0.75000000000000 85.468 > 11 93 Rb 0.00000000000000 0.88942549776404 0.25000000000000 85.468 > 12 94 Rb 0.25000000000000 0.88942549776404 0.25000000000000 85.468 > 12 95 Rb 0.50000000000000 0.88942549776404 0.25000000000000 85.468 > 12 96 Rb 0.75000000000000 0.88942549776404 0.25000000000000 85.468 > 12 *97 Dy 0.12500000000000 0.13354790850821 0.06344203418655 162.500 > 13 98 Dy 0.37500000000000 0.13354790850821 0.06344203418655 162.500 > 13 99 Dy 0.62500000000000 0.13354790850821 0.06344203418655 162.500 > 13 100 Dy 0.87500000000000 0.13354790850821 0.06344203418655 162.500 > 13 101 Dy 0.00000000000000 0.36645209149179 0.93655796581345 162.500 > 14 102 Dy 0.25000000000000 0.36645209149179 0.93655796581345 162.500 > 14 103 Dy 0.50000000000000 0.36645209149179 0.93655796581345 162.500 > 14 104 Dy 0.75000000000000 0.36645209149179 0.93655796581345 162.500 > 14 105 Dy 0.12500000000000 0.13354790850821 0.43655796581345 162.500 > 15 106 Dy 0.37500000000000 0.13354790850821 0.43655796581345 162.500 > 15 107 Dy 0.62500000000000 0.13354790850821 0.43655796581345 162.500 > 15 108 Dy 0.87500000000000 0.13354790850821 0.43655796581345 162.500 > 15 109 Dy 0.00000000000000 0.36645209149179 0.56344203418655 162.500 > 16 110 Dy 0.25000000000000 0.36645209149179 0.56344203418655 162.500 > 16 111 Dy 0.50000000000000 0.36645209149179 0.56344203418655 162.500 > 16 112 Dy 0.75000000000000 0.36645209149179 0.56344203418655 162.500 > 16 113 Dy 0.00000000000000 0.63354790850821 0.06344203418655 162.500 > 13 114 Dy 0.25000000000000 0.63354790850821 0.06344203418655 162.500 > 13 115 Dy 0.50000000000000 0.63354790850821 0.06344203418655 162.500 > 13 116 Dy 0.75000000000000 0.63354790850821 0.06344203418655 162.500 > 13 117 Dy 0.12500000000000 0.86645209149179 0.93655796581345 162.500 > 14 118 Dy 0.37500000000000 0.86645209149179 0.93655796581345 162.500 > 14 119 Dy 0.62500000000000 0.86645209149179 0.93655796581345 162.500 > 14 120 Dy 0.87500000000000 0.86645209149179 0.93655796581345 162.500 > 14 121 Dy 0.00000000000000 0.63354790850821 0.43655796581345 162.500 > 15 122 Dy 0.25000000000000 0.63354790850821 0.43655796581345 162.500 > 15 123 Dy 0.50000000000000 0.63354790850821 0.43655796581345 162.500 > 15 124 Dy 0.75000000000000 0.63354790850821 0.43655796581345 162.500 > 15 125 Dy 0.12500000000000 0.86645209149179 0.56344203418655 162.500 > 16 126 Dy 0.37500000000000 0.86645209149179 0.56344203418655 162.500 > 16 127 Dy 0.62500000000000 0.86645209149179 0.56344203418655 162.500 > 16 128 Dy 0.87500000000000 0.86645209149179 0.56344203418655 162.500 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8251959 0.0000000 0.0000000 0.0000000 6.8086728 0.0000000 0.0000000 0.0000000 8.9424724 -------------------------- Born effective charges -------------------------- 1 Cu 0.6151957 0.0000000 0.0000000 0.0000000 0.4151321 0.0000000 0.0000000 -0.0000000 0.5958640 2 Cu 0.6151957 0.0000000 0.0000000 0.0000000 0.4151321 0.0000000 0.0000000 -0.0000000 0.5958640 3 Se -1.6153732 0.0000000 0.0000000 0.0000000 -1.3851721 0.0000000 0.0000000 -0.0000000 -3.6616748 4 Se -1.6153732 0.0000000 0.0000000 0.0000000 -1.3851721 0.0000000 0.0000000 -0.0000000 -3.6616748 5 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 0.4439013 0.0000000 0.7311411 -2.8698598 6 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 0.4439013 0.0000000 0.7311411 -2.8698598 7 Se -4.3241628 0.0000000 0.0000000 0.0000000 -3.1625875 1.0208966 0.0000000 0.8455324 -1.5342375 8 Se -4.3241628 0.0000000 0.0000000 0.0000000 -3.1625875 -1.0208966 0.0000000 -0.8455324 -1.5342375 9 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 -0.4439013 0.0000000 -0.7311411 -2.8698598 10 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 -0.4439013 0.0000000 -0.7311411 -2.8698598 11 Rb 1.1055739 0.0000000 0.0000000 0.0000000 1.5738926 0.0000000 0.0000000 -0.0000000 1.2698111 12 Rb 1.1055739 0.0000000 0.0000000 0.0000000 1.5738926 0.0000000 0.0000000 -0.0000000 1.2698111 13 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 0.0068828 0.0000000 -0.3813064 4.5349784 14 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 0.0068828 0.0000000 -0.3813064 4.5349784 15 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 -0.0068828 0.0000000 0.3813064 4.5349784 16 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 -0.0068828 0.0000000 0.3813064 4.5349784 ---------------------------------------------------------------------------- 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): 0.006 Solver_block: 100 / 240 - Time: 1.948 Solver_block: 200 / 240 - Time: 1.937 Solver_block: 240 / 240 - Time: 0.855 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.880 --------------------------------- 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 01:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:48:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.037034515000000 -7.043585439999998 0.000000000000000 b 2.037034515000000 7.043585439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): 1 Cu 0.16343164749435 0.83656835250565 0.75000000000000 63.546 2 Cu 0.83656835250565 0.16343164749435 0.25000000000000 63.546 3 Se 0.42954979393514 0.57045020606486 0.25000000000000 78.960 4 Se 0.57045020606486 0.42954979393514 0.75000000000000 78.960 5 Se 0.73813292002130 0.26186707997870 0.10930824424107 78.960 6 Se 0.26186707997870 0.73813292002130 0.89069175575893 78.960 7 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 9 Se 0.73813292002130 0.26186707997870 0.39069175575893 78.960 10 Se 0.26186707997870 0.73813292002130 0.60930824424107 78.960 11 Rb 0.88942549776404 0.11057450223596 0.75000000000000 85.468 12 Rb 0.11057450223596 0.88942549776404 0.25000000000000 85.468 13 Dy 0.36645209149179 0.63354790850821 0.06344203418655 162.500 14 Dy 0.63354790850821 0.36645209149179 0.93655796581345 162.500 15 Dy 0.36645209149179 0.63354790850821 0.43655796581345 162.500 16 Dy 0.63354790850821 0.36645209149179 0.56344203418655 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.296276120000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.087170879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): 1 Cu 0.12500000000000 0.33656835250565 0.75000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33656835250565 0.75000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33656835250565 0.75000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33656835250565 0.75000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16343164749435 0.25000000000000 63.546 > 5 6 Cu 0.25000000000000 0.16343164749435 0.25000000000000 63.546 > 5 7 Cu 0.50000000000000 0.16343164749435 0.25000000000000 63.546 > 5 8 Cu 0.75000000000000 0.16343164749435 0.25000000000000 63.546 > 5 9 Cu 0.00000000000000 0.83656835250565 0.75000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83656835250565 0.75000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83656835250565 0.75000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83656835250565 0.75000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66343164749435 0.25000000000000 63.546 > 5 14 Cu 0.37500000000000 0.66343164749435 0.25000000000000 63.546 > 5 15 Cu 0.62500000000000 0.66343164749435 0.25000000000000 63.546 > 5 16 Cu 0.87500000000000 0.66343164749435 0.25000000000000 63.546 > 5 17 Se 0.12500000000000 0.07045020606486 0.25000000000000 78.960 > 17 18 Se 0.37500000000000 0.07045020606486 0.25000000000000 78.960 > 17 19 Se 0.62500000000000 0.07045020606486 0.25000000000000 78.960 > 17 20 Se 0.87500000000000 0.07045020606486 0.25000000000000 78.960 > 17 21 Se 0.00000000000000 0.42954979393514 0.75000000000000 78.960 > 21 22 Se 0.25000000000000 0.42954979393514 0.75000000000000 78.960 > 21 23 Se 0.50000000000000 0.42954979393514 0.75000000000000 78.960 > 21 24 Se 0.75000000000000 0.42954979393514 0.75000000000000 78.960 > 21 25 Se 0.00000000000000 0.26186707997870 0.10930824424107 78.960 > 25 26 Se 0.25000000000000 0.26186707997870 0.10930824424107 78.960 > 25 27 Se 0.50000000000000 0.26186707997870 0.10930824424107 78.960 > 25 28 Se 0.75000000000000 0.26186707997870 0.10930824424107 78.960 > 25 29 Se 0.12500000000000 0.23813292002130 0.89069175575893 78.960 > 29 30 Se 0.37500000000000 0.23813292002130 0.89069175575893 78.960 > 29 31 Se 0.62500000000000 0.23813292002130 0.89069175575893 78.960 > 29 32 Se 0.87500000000000 0.23813292002130 0.89069175575893 78.960 > 29 33 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 33 34 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 33 35 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 33 36 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 33 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 37 38 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 37 39 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 37 40 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 37 41 Se 0.00000000000000 0.26186707997870 0.39069175575893 78.960 > 41 42 Se 0.25000000000000 0.26186707997870 0.39069175575893 78.960 > 41 43 Se 0.50000000000000 0.26186707997870 0.39069175575893 78.960 > 41 44 Se 0.75000000000000 0.26186707997870 0.39069175575893 78.960 > 41 45 Se 0.12500000000000 0.23813292002130 0.60930824424107 78.960 > 45 46 Se 0.37500000000000 0.23813292002130 0.60930824424107 78.960 > 45 47 Se 0.62500000000000 0.23813292002130 0.60930824424107 78.960 > 45 48 Se 0.87500000000000 0.23813292002130 0.60930824424107 78.960 > 45 49 Se 0.00000000000000 0.57045020606486 0.25000000000000 78.960 > 17 50 Se 0.25000000000000 0.57045020606486 0.25000000000000 78.960 > 17 51 Se 0.50000000000000 0.57045020606486 0.25000000000000 78.960 > 17 52 Se 0.75000000000000 0.57045020606486 0.25000000000000 78.960 > 17 53 Se 0.12500000000000 0.92954979393514 0.75000000000000 78.960 > 21 54 Se 0.37500000000000 0.92954979393514 0.75000000000000 78.960 > 21 55 Se 0.62500000000000 0.92954979393514 0.75000000000000 78.960 > 21 56 Se 0.87500000000000 0.92954979393514 0.75000000000000 78.960 > 21 57 Se 0.12500000000000 0.76186707997870 0.10930824424107 78.960 > 25 58 Se 0.37500000000000 0.76186707997870 0.10930824424107 78.960 > 25 59 Se 0.62500000000000 0.76186707997870 0.10930824424107 78.960 > 25 60 Se 0.87500000000000 0.76186707997870 0.10930824424107 78.960 > 25 61 Se 0.00000000000000 0.73813292002130 0.89069175575893 78.960 > 29 62 Se 0.25000000000000 0.73813292002130 0.89069175575893 78.960 > 29 63 Se 0.50000000000000 0.73813292002130 0.89069175575893 78.960 > 29 64 Se 0.75000000000000 0.73813292002130 0.89069175575893 78.960 > 29 65 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 33 66 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 33 67 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 33 68 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 33 69 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 37 70 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 37 71 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 37 72 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 37 73 Se 0.12500000000000 0.76186707997870 0.39069175575893 78.960 > 41 74 Se 0.37500000000000 0.76186707997870 0.39069175575893 78.960 > 41 75 Se 0.62500000000000 0.76186707997870 0.39069175575893 78.960 > 41 76 Se 0.87500000000000 0.76186707997870 0.39069175575893 78.960 > 41 77 Se 0.00000000000000 0.73813292002130 0.60930824424107 78.960 > 45 78 Se 0.25000000000000 0.73813292002130 0.60930824424107 78.960 > 45 79 Se 0.50000000000000 0.73813292002130 0.60930824424107 78.960 > 45 80 Se 0.75000000000000 0.73813292002130 0.60930824424107 78.960 > 45 81 Rb 0.00000000000000 0.11057450223596 0.75000000000000 85.468 > 81 82 Rb 0.25000000000000 0.11057450223596 0.75000000000000 85.468 > 81 83 Rb 0.50000000000000 0.11057450223596 0.75000000000000 85.468 > 81 84 Rb 0.75000000000000 0.11057450223596 0.75000000000000 85.468 > 81 85 Rb 0.12500000000000 0.38942549776404 0.25000000000000 85.468 > 85 86 Rb 0.37500000000000 0.38942549776404 0.25000000000000 85.468 > 85 87 Rb 0.62500000000000 0.38942549776404 0.25000000000000 85.468 > 85 88 Rb 0.87500000000000 0.38942549776404 0.25000000000000 85.468 > 85 89 Rb 0.12500000000000 0.61057450223596 0.75000000000000 85.468 > 81 90 Rb 0.37500000000000 0.61057450223596 0.75000000000000 85.468 > 81 91 Rb 0.62500000000000 0.61057450223596 0.75000000000000 85.468 > 81 92 Rb 0.87500000000000 0.61057450223596 0.75000000000000 85.468 > 81 93 Rb 0.00000000000000 0.88942549776404 0.25000000000000 85.468 > 85 94 Rb 0.25000000000000 0.88942549776404 0.25000000000000 85.468 > 85 95 Rb 0.50000000000000 0.88942549776404 0.25000000000000 85.468 > 85 96 Rb 0.75000000000000 0.88942549776404 0.25000000000000 85.468 > 85 97 Dy 0.12500000000000 0.13354790850821 0.06344203418655 162.500 > 97 98 Dy 0.37500000000000 0.13354790850821 0.06344203418655 162.500 > 97 99 Dy 0.62500000000000 0.13354790850821 0.06344203418655 162.500 > 97 100 Dy 0.87500000000000 0.13354790850821 0.06344203418655 162.500 > 97 101 Dy 0.00000000000000 0.36645209149179 0.93655796581345 162.500 > 101 102 Dy 0.25000000000000 0.36645209149179 0.93655796581345 162.500 > 101 103 Dy 0.50000000000000 0.36645209149179 0.93655796581345 162.500 > 101 104 Dy 0.75000000000000 0.36645209149179 0.93655796581345 162.500 > 101 105 Dy 0.12500000000000 0.13354790850821 0.43655796581345 162.500 > 105 106 Dy 0.37500000000000 0.13354790850821 0.43655796581345 162.500 > 105 107 Dy 0.62500000000000 0.13354790850821 0.43655796581345 162.500 > 105 108 Dy 0.87500000000000 0.13354790850821 0.43655796581345 162.500 > 105 109 Dy 0.00000000000000 0.36645209149179 0.56344203418655 162.500 > 109 110 Dy 0.25000000000000 0.36645209149179 0.56344203418655 162.500 > 109 111 Dy 0.50000000000000 0.36645209149179 0.56344203418655 162.500 > 109 112 Dy 0.75000000000000 0.36645209149179 0.56344203418655 162.500 > 109 113 Dy 0.00000000000000 0.63354790850821 0.06344203418655 162.500 > 97 114 Dy 0.25000000000000 0.63354790850821 0.06344203418655 162.500 > 97 115 Dy 0.50000000000000 0.63354790850821 0.06344203418655 162.500 > 97 116 Dy 0.75000000000000 0.63354790850821 0.06344203418655 162.500 > 97 117 Dy 0.12500000000000 0.86645209149179 0.93655796581345 162.500 > 101 118 Dy 0.37500000000000 0.86645209149179 0.93655796581345 162.500 > 101 119 Dy 0.62500000000000 0.86645209149179 0.93655796581345 162.500 > 101 120 Dy 0.87500000000000 0.86645209149179 0.93655796581345 162.500 > 101 121 Dy 0.00000000000000 0.63354790850821 0.43655796581345 162.500 > 105 122 Dy 0.25000000000000 0.63354790850821 0.43655796581345 162.500 > 105 123 Dy 0.50000000000000 0.63354790850821 0.43655796581345 162.500 > 105 124 Dy 0.75000000000000 0.63354790850821 0.43655796581345 162.500 > 105 125 Dy 0.12500000000000 0.86645209149179 0.56344203418655 162.500 > 109 126 Dy 0.37500000000000 0.86645209149179 0.56344203418655 162.500 > 109 127 Dy 0.62500000000000 0.86645209149179 0.56344203418655 162.500 > 109 128 Dy 0.87500000000000 0.86645209149179 0.56344203418655 162.500 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8251959 0.0000000 0.0000000 0.0000000 6.8086728 0.0000000 0.0000000 0.0000000 8.9424724 -------------------------- Born effective charges -------------------------- 1 Cu 0.6151957 0.0000000 0.0000000 0.0000000 0.4151321 0.0000000 0.0000000 -0.0000000 0.5958640 2 Cu 0.6151957 0.0000000 0.0000000 0.0000000 0.4151321 0.0000000 0.0000000 -0.0000000 0.5958640 3 Se -1.6153732 0.0000000 0.0000000 0.0000000 -1.3851721 0.0000000 0.0000000 -0.0000000 -3.6616748 4 Se -1.6153732 0.0000000 0.0000000 0.0000000 -1.3851721 0.0000000 0.0000000 -0.0000000 -3.6616748 5 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 0.4439013 0.0000000 0.7311411 -2.8698598 6 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 0.4439013 0.0000000 0.7311411 -2.8698598 7 Se -4.3241628 0.0000000 0.0000000 0.0000000 -3.1625875 1.0208966 0.0000000 0.8455324 -1.5342375 8 Se -4.3241628 0.0000000 0.0000000 0.0000000 -3.1625875 -1.0208966 0.0000000 -0.8455324 -1.5342375 9 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 -0.4439013 0.0000000 -0.7311411 -2.8698598 10 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 -0.4439013 0.0000000 -0.7311411 -2.8698598 11 Rb 1.1055739 0.0000000 0.0000000 0.0000000 1.5738926 0.0000000 0.0000000 -0.0000000 1.2698111 12 Rb 1.1055739 0.0000000 0.0000000 0.0000000 1.5738926 0.0000000 0.0000000 -0.0000000 1.2698111 13 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 0.0068828 0.0000000 -0.3813064 4.5349784 14 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 0.0068828 0.0000000 -0.3813064 4.5349784 15 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 -0.0068828 0.0000000 0.3813064 4.5349784 16 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 -0.0068828 0.0000000 0.3813064 4.5349784 ---------------------------------------------------------------------------- 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[ 25, 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:48:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:48:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.037034515000000 -7.043585439999998 0.000000000000000 b 2.037034515000000 7.043585439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): 1 Cu 0.16343164749435 0.83656835250565 0.75000000000000 63.546 2 Cu 0.83656835250565 0.16343164749435 0.25000000000000 63.546 3 Se 0.42954979393514 0.57045020606486 0.25000000000000 78.960 4 Se 0.57045020606486 0.42954979393514 0.75000000000000 78.960 5 Se 0.73813292002130 0.26186707997870 0.10930824424107 78.960 6 Se 0.26186707997870 0.73813292002130 0.89069175575893 78.960 7 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 9 Se 0.73813292002130 0.26186707997870 0.39069175575893 78.960 10 Se 0.26186707997870 0.73813292002130 0.60930824424107 78.960 11 Rb 0.88942549776404 0.11057450223596 0.75000000000000 85.468 12 Rb 0.11057450223596 0.88942549776404 0.25000000000000 85.468 13 Dy 0.36645209149179 0.63354790850821 0.06344203418655 162.500 14 Dy 0.63354790850821 0.36645209149179 0.93655796581345 162.500 15 Dy 0.36645209149179 0.63354790850821 0.43655796581345 162.500 16 Dy 0.63354790850821 0.36645209149179 0.56344203418655 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.296276120000002 0.000000000000000 0.000000000000000 b 0.000000000000000 14.087170879999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.208436780000000 Atomic positions (fractional): 1 Cu 0.12500000000000 0.33656835250565 0.75000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33656835250565 0.75000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33656835250565 0.75000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33656835250565 0.75000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16343164749435 0.25000000000000 63.546 > 5 6 Cu 0.25000000000000 0.16343164749435 0.25000000000000 63.546 > 5 7 Cu 0.50000000000000 0.16343164749435 0.25000000000000 63.546 > 5 8 Cu 0.75000000000000 0.16343164749435 0.25000000000000 63.546 > 5 9 Cu 0.00000000000000 0.83656835250565 0.75000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83656835250565 0.75000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83656835250565 0.75000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83656835250565 0.75000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66343164749435 0.25000000000000 63.546 > 5 14 Cu 0.37500000000000 0.66343164749435 0.25000000000000 63.546 > 5 15 Cu 0.62500000000000 0.66343164749435 0.25000000000000 63.546 > 5 16 Cu 0.87500000000000 0.66343164749435 0.25000000000000 63.546 > 5 17 Se 0.12500000000000 0.07045020606486 0.25000000000000 78.960 > 17 18 Se 0.37500000000000 0.07045020606486 0.25000000000000 78.960 > 17 19 Se 0.62500000000000 0.07045020606486 0.25000000000000 78.960 > 17 20 Se 0.87500000000000 0.07045020606486 0.25000000000000 78.960 > 17 21 Se 0.00000000000000 0.42954979393514 0.75000000000000 78.960 > 21 22 Se 0.25000000000000 0.42954979393514 0.75000000000000 78.960 > 21 23 Se 0.50000000000000 0.42954979393514 0.75000000000000 78.960 > 21 24 Se 0.75000000000000 0.42954979393514 0.75000000000000 78.960 > 21 25 Se 0.00000000000000 0.26186707997870 0.10930824424107 78.960 > 25 26 Se 0.25000000000000 0.26186707997870 0.10930824424107 78.960 > 25 27 Se 0.50000000000000 0.26186707997870 0.10930824424107 78.960 > 25 28 Se 0.75000000000000 0.26186707997870 0.10930824424107 78.960 > 25 29 Se 0.12500000000000 0.23813292002130 0.89069175575893 78.960 > 29 30 Se 0.37500000000000 0.23813292002130 0.89069175575893 78.960 > 29 31 Se 0.62500000000000 0.23813292002130 0.89069175575893 78.960 > 29 32 Se 0.87500000000000 0.23813292002130 0.89069175575893 78.960 > 29 33 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 33 34 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 33 35 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 33 36 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 33 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 37 38 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 37 39 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 37 40 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 37 41 Se 0.00000000000000 0.26186707997870 0.39069175575893 78.960 > 41 42 Se 0.25000000000000 0.26186707997870 0.39069175575893 78.960 > 41 43 Se 0.50000000000000 0.26186707997870 0.39069175575893 78.960 > 41 44 Se 0.75000000000000 0.26186707997870 0.39069175575893 78.960 > 41 45 Se 0.12500000000000 0.23813292002130 0.60930824424107 78.960 > 45 46 Se 0.37500000000000 0.23813292002130 0.60930824424107 78.960 > 45 47 Se 0.62500000000000 0.23813292002130 0.60930824424107 78.960 > 45 48 Se 0.87500000000000 0.23813292002130 0.60930824424107 78.960 > 45 49 Se 0.00000000000000 0.57045020606486 0.25000000000000 78.960 > 17 50 Se 0.25000000000000 0.57045020606486 0.25000000000000 78.960 > 17 51 Se 0.50000000000000 0.57045020606486 0.25000000000000 78.960 > 17 52 Se 0.75000000000000 0.57045020606486 0.25000000000000 78.960 > 17 53 Se 0.12500000000000 0.92954979393514 0.75000000000000 78.960 > 21 54 Se 0.37500000000000 0.92954979393514 0.75000000000000 78.960 > 21 55 Se 0.62500000000000 0.92954979393514 0.75000000000000 78.960 > 21 56 Se 0.87500000000000 0.92954979393514 0.75000000000000 78.960 > 21 57 Se 0.12500000000000 0.76186707997870 0.10930824424107 78.960 > 25 58 Se 0.37500000000000 0.76186707997870 0.10930824424107 78.960 > 25 59 Se 0.62500000000000 0.76186707997870 0.10930824424107 78.960 > 25 60 Se 0.87500000000000 0.76186707997870 0.10930824424107 78.960 > 25 61 Se 0.00000000000000 0.73813292002130 0.89069175575893 78.960 > 29 62 Se 0.25000000000000 0.73813292002130 0.89069175575893 78.960 > 29 63 Se 0.50000000000000 0.73813292002130 0.89069175575893 78.960 > 29 64 Se 0.75000000000000 0.73813292002130 0.89069175575893 78.960 > 29 65 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 33 66 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 33 67 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 33 68 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 33 69 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 37 70 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 37 71 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 37 72 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 37 73 Se 0.12500000000000 0.76186707997870 0.39069175575893 78.960 > 41 74 Se 0.37500000000000 0.76186707997870 0.39069175575893 78.960 > 41 75 Se 0.62500000000000 0.76186707997870 0.39069175575893 78.960 > 41 76 Se 0.87500000000000 0.76186707997870 0.39069175575893 78.960 > 41 77 Se 0.00000000000000 0.73813292002130 0.60930824424107 78.960 > 45 78 Se 0.25000000000000 0.73813292002130 0.60930824424107 78.960 > 45 79 Se 0.50000000000000 0.73813292002130 0.60930824424107 78.960 > 45 80 Se 0.75000000000000 0.73813292002130 0.60930824424107 78.960 > 45 81 Rb 0.00000000000000 0.11057450223596 0.75000000000000 85.468 > 81 82 Rb 0.25000000000000 0.11057450223596 0.75000000000000 85.468 > 81 83 Rb 0.50000000000000 0.11057450223596 0.75000000000000 85.468 > 81 84 Rb 0.75000000000000 0.11057450223596 0.75000000000000 85.468 > 81 85 Rb 0.12500000000000 0.38942549776404 0.25000000000000 85.468 > 85 86 Rb 0.37500000000000 0.38942549776404 0.25000000000000 85.468 > 85 87 Rb 0.62500000000000 0.38942549776404 0.25000000000000 85.468 > 85 88 Rb 0.87500000000000 0.38942549776404 0.25000000000000 85.468 > 85 89 Rb 0.12500000000000 0.61057450223596 0.75000000000000 85.468 > 81 90 Rb 0.37500000000000 0.61057450223596 0.75000000000000 85.468 > 81 91 Rb 0.62500000000000 0.61057450223596 0.75000000000000 85.468 > 81 92 Rb 0.87500000000000 0.61057450223596 0.75000000000000 85.468 > 81 93 Rb 0.00000000000000 0.88942549776404 0.25000000000000 85.468 > 85 94 Rb 0.25000000000000 0.88942549776404 0.25000000000000 85.468 > 85 95 Rb 0.50000000000000 0.88942549776404 0.25000000000000 85.468 > 85 96 Rb 0.75000000000000 0.88942549776404 0.25000000000000 85.468 > 85 97 Dy 0.12500000000000 0.13354790850821 0.06344203418655 162.500 > 97 98 Dy 0.37500000000000 0.13354790850821 0.06344203418655 162.500 > 97 99 Dy 0.62500000000000 0.13354790850821 0.06344203418655 162.500 > 97 100 Dy 0.87500000000000 0.13354790850821 0.06344203418655 162.500 > 97 101 Dy 0.00000000000000 0.36645209149179 0.93655796581345 162.500 > 101 102 Dy 0.25000000000000 0.36645209149179 0.93655796581345 162.500 > 101 103 Dy 0.50000000000000 0.36645209149179 0.93655796581345 162.500 > 101 104 Dy 0.75000000000000 0.36645209149179 0.93655796581345 162.500 > 101 105 Dy 0.12500000000000 0.13354790850821 0.43655796581345 162.500 > 105 106 Dy 0.37500000000000 0.13354790850821 0.43655796581345 162.500 > 105 107 Dy 0.62500000000000 0.13354790850821 0.43655796581345 162.500 > 105 108 Dy 0.87500000000000 0.13354790850821 0.43655796581345 162.500 > 105 109 Dy 0.00000000000000 0.36645209149179 0.56344203418655 162.500 > 109 110 Dy 0.25000000000000 0.36645209149179 0.56344203418655 162.500 > 109 111 Dy 0.50000000000000 0.36645209149179 0.56344203418655 162.500 > 109 112 Dy 0.75000000000000 0.36645209149179 0.56344203418655 162.500 > 109 113 Dy 0.00000000000000 0.63354790850821 0.06344203418655 162.500 > 97 114 Dy 0.25000000000000 0.63354790850821 0.06344203418655 162.500 > 97 115 Dy 0.50000000000000 0.63354790850821 0.06344203418655 162.500 > 97 116 Dy 0.75000000000000 0.63354790850821 0.06344203418655 162.500 > 97 117 Dy 0.12500000000000 0.86645209149179 0.93655796581345 162.500 > 101 118 Dy 0.37500000000000 0.86645209149179 0.93655796581345 162.500 > 101 119 Dy 0.62500000000000 0.86645209149179 0.93655796581345 162.500 > 101 120 Dy 0.87500000000000 0.86645209149179 0.93655796581345 162.500 > 101 121 Dy 0.00000000000000 0.63354790850821 0.43655796581345 162.500 > 105 122 Dy 0.25000000000000 0.63354790850821 0.43655796581345 162.500 > 105 123 Dy 0.50000000000000 0.63354790850821 0.43655796581345 162.500 > 105 124 Dy 0.75000000000000 0.63354790850821 0.43655796581345 162.500 > 105 125 Dy 0.12500000000000 0.86645209149179 0.56344203418655 162.500 > 109 126 Dy 0.37500000000000 0.86645209149179 0.56344203418655 162.500 > 109 127 Dy 0.62500000000000 0.86645209149179 0.56344203418655 162.500 > 109 128 Dy 0.87500000000000 0.86645209149179 0.56344203418655 162.500 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8251959 0.0000000 0.0000000 0.0000000 6.8086728 0.0000000 0.0000000 0.0000000 8.9424724 -------------------------- Born effective charges -------------------------- 1 Cu 0.6151957 0.0000000 0.0000000 0.0000000 0.4151321 0.0000000 0.0000000 -0.0000000 0.5958640 2 Cu 0.6151957 0.0000000 0.0000000 0.0000000 0.4151321 0.0000000 0.0000000 -0.0000000 0.5958640 3 Se -1.6153732 0.0000000 0.0000000 0.0000000 -1.3851721 0.0000000 0.0000000 -0.0000000 -3.6616748 4 Se -1.6153732 0.0000000 0.0000000 0.0000000 -1.3851721 0.0000000 0.0000000 -0.0000000 -3.6616748 5 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 0.4439013 0.0000000 0.7311411 -2.8698598 6 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 0.4439013 0.0000000 0.7311411 -2.8698598 7 Se -4.3241628 0.0000000 0.0000000 0.0000000 -3.1625875 1.0208966 0.0000000 0.8455324 -1.5342375 8 Se -4.3241628 0.0000000 0.0000000 0.0000000 -3.1625875 -1.0208966 0.0000000 -0.8455324 -1.5342375 9 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 -0.4439013 0.0000000 -0.7311411 -2.8698598 10 Se -2.6944959 0.0000000 0.0000000 0.0000000 -2.2453580 -0.4439013 0.0000000 -0.7311411 -2.8698598 11 Rb 1.1055739 0.0000000 0.0000000 0.0000000 1.5738926 0.0000000 0.0000000 -0.0000000 1.2698111 12 Rb 1.1055739 0.0000000 0.0000000 0.0000000 1.5738926 0.0000000 0.0000000 -0.0000000 1.2698111 13 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 0.0068828 0.0000000 -0.3813064 4.5349784 14 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 0.0068828 0.0000000 -0.3813064 4.5349784 15 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 -0.0068828 0.0000000 0.3813064 4.5349784 16 Dy 4.8038791 0.0000000 0.0000000 0.0000000 3.5247255 -0.0068828 0.0000000 0.3813064 4.5349784 ---------------------------------------------------------------------------- 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: 0.56, Number of G-points: 303, 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: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-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 0.786 ( 0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.204 ( 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: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 18.645 -4.529 0.000) 19.187 0.467 ( 24.332 0.087 0.000) 24.332 0.802 ( 37.710 -11.503 0.000) 39.426 0.903 ( 10.331 -3.610 0.000) 10.944 1.205 ( 9.990 -1.082 0.000) 10.049 1.484 ( 9.356 -0.736 0.000) 9.385 1.663 ( 3.112 3.240 0.000) 4.492 1.735 ( 0.085 0.938 0.000) 0.942 1.784 ( 1.196 0.267 0.000) 1.225 1.787 ( 1.455 -1.352 0.000) 1.986 1.898 ( 11.833 7.555 0.000) 14.039 1.980 ( 2.142 -2.771 0.000) 3.502 2.111 ( 1.800 8.792 0.000) 8.975 2.159 ( 2.723 -4.198 0.000) 5.004 2.221 ( 2.784 -4.710 0.000) 5.471 2.364 ( 1.667 -1.573 0.000) 2.292 2.648 ( -6.970 2.018 0.000) 7.256 2.798 ( 4.415 0.804 0.000) 4.488 2.846 ( -0.291 -1.121 0.000) 1.158 2.865 ( -1.265 0.290 0.000) 1.297 2.933 ( 1.624 4.523 0.000) 4.806 2.994 ( 0.343 0.389 0.000) 0.519 3.045 ( -4.089 0.227 0.000) 4.095 3.117 ( 3.314 -3.275 0.000) 4.659 3.437 ( -1.505 -1.961 0.000) 2.472 3.471 ( -4.289 1.173 0.000) 4.447 3.701 ( 17.115 0.060 0.000) 17.115 4.051 ( 3.045 1.871 0.000) 3.574 4.205 ( 3.879 0.602 0.000) 3.926 4.299 ( -1.643 -1.419 0.000) 2.171 4.388 ( -1.408 1.808 0.000) 2.292 4.456 ( 3.686 -0.554 0.000) 3.728 4.607 ( 4.734 10.766 0.000) 11.761 4.673 ( -1.491 -0.779 0.000) 1.683 4.898 ( 0.814 0.321 0.000) 0.875 4.931 ( 0.357 2.815 0.000) 2.838 5.035 ( -4.802 0.431 0.000) 4.822 5.097 ( -4.314 1.084 0.000) 4.448 5.261 ( -1.774 -0.211 0.000) 1.786 5.353 ( -5.592 -5.604 0.000) 7.917 5.503 ( 3.745 -2.867 0.000) 4.717 5.761 ( -1.409 0.999 0.000) 1.727 5.834 ( 1.242 0.235 0.000) 1.264 5.837 ( 0.150 -0.137 0.000) 0.203 5.906 ( 0.106 0.283 0.000) 0.303 6.021 ( 0.690 7.802 0.000) 7.833 6.030 ( -0.995 -1.471 0.000) 1.776 6.186 ( -5.008 -6.136 0.000) 7.921 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 16.947 -3.397 0.000) 17.284 0.909 ( 22.730 1.921 0.000) 22.811 1.168 ( 14.559 -3.644 0.000) 15.009 1.388 ( 8.136 -0.499 0.000) 8.151 1.518 ( 30.945 -8.753 0.000) 32.159 1.639 ( 5.876 -1.993 0.000) 6.205 1.724 ( -0.211 2.071 0.000) 2.081 1.775 ( 9.954 3.029 0.000) 10.404 1.797 ( 0.013 -0.204 0.000) 0.205 1.862 ( 4.260 -0.333 0.000) 4.273 1.995 ( 3.839 1.417 0.000) 4.093 2.104 ( -0.604 2.207 0.000) 2.289 2.144 ( 12.740 4.410 0.000) 13.481 2.257 ( 4.690 -1.333 0.000) 4.876 2.352 ( 10.084 3.927 0.000) 10.822 2.445 ( 6.270 -4.247 0.000) 7.573 2.522 ( -3.443 1.338 0.000) 3.694 2.808 ( -5.230 1.344 0.000) 5.400 2.828 ( 0.204 0.521 0.000) 0.560 2.911 ( 5.119 -0.729 0.000) 5.171 2.954 ( -2.159 1.432 0.000) 2.591 2.970 ( 3.508 -1.396 0.000) 3.775 3.017 ( 0.342 -1.128 0.000) 1.179 3.171 ( 1.267 1.250 0.000) 1.780 3.348 ( -6.090 1.237 0.000) 6.214 3.426 ( -2.125 -2.832 0.000) 3.540 4.005 ( 12.000 0.682 0.000) 12.019 4.111 ( 3.809 0.957 0.000) 3.928 4.255 ( -0.995 -0.369 0.000) 1.061 4.352 ( -1.699 0.306 0.000) 1.726 4.356 ( 9.485 -1.965 0.000) 9.686 4.533 ( 3.346 -0.379 0.000) 3.368 4.635 ( 1.599 1.330 0.000) 2.080 4.646 ( -1.102 -0.714 0.000) 1.313 4.894 ( -4.428 2.499 0.000) 5.084 4.920 ( -0.208 1.384 0.000) 1.399 4.937 ( -1.117 -1.345 0.000) 1.748 4.997 ( -5.031 1.989 0.000) 5.410 5.229 ( -1.414 0.192 0.000) 1.427 5.266 ( -5.028 -1.895 0.000) 5.374 5.572 ( 2.448 1.729 0.000) 2.997 5.717 ( -2.490 1.731 0.000) 3.033 5.830 ( 0.261 0.594 0.000) 0.649 5.868 ( 0.813 -0.226 0.000) 0.843 5.910 ( 0.716 1.257 0.000) 1.446 5.979 ( -0.844 5.362 0.000) 5.428 6.016 ( -1.577 -2.463 0.000) 2.925 6.120 ( -4.458 -3.909 0.000) 5.929 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 14.625 -2.224 0.000) 14.793 1.293 ( 19.369 3.983 0.000) 19.774 1.459 ( 13.702 -1.296 0.000) 13.763 1.533 ( 7.751 -0.958 0.000) 7.810 1.713 ( 0.334 1.965 0.000) 1.993 1.765 ( 5.478 -4.535 0.000) 7.112 1.792 ( -0.691 -1.396 0.000) 1.558 1.862 ( 2.685 3.103 0.000) 4.104 1.960 ( 6.413 3.717 0.000) 7.413 1.971 ( 10.295 4.665 0.000) 11.303 2.055 ( -3.426 0.759 0.000) 3.509 2.144 ( 11.879 -4.412 0.000) 12.672 2.287 ( 3.397 -3.202 0.000) 4.668 2.348 ( 4.727 4.264 0.000) 6.366 2.466 ( 2.916 1.307 0.000) 3.195 2.568 ( 10.267 0.715 0.000) 10.292 2.596 ( -1.415 -0.811 0.000) 1.631 2.738 ( 7.667 1.824 0.000) 7.881 2.855 ( 3.378 -0.003 0.000) 3.378 2.942 ( 1.051 0.618 0.000) 1.219 2.989 ( 2.943 -0.864 0.000) 3.067 3.029 ( 0.284 -0.330 0.000) 0.436 3.076 ( 3.024 -3.827 0.000) 4.878 3.142 ( -1.160 2.119 0.000) 2.416 3.258 ( -3.341 -2.486 0.000) 4.165 3.405 ( -0.839 -1.819 0.000) 2.003 4.144 ( 4.679 0.570 0.000) 4.714 4.179 ( 3.874 0.782 0.000) 3.952 4.229 ( -1.997 -1.978 0.000) 2.811 4.316 ( -2.372 -0.780 0.000) 2.497 4.517 ( -0.055 0.696 0.000) 0.698 4.568 ( 4.454 -0.849 0.000) 4.535 4.648 ( -0.633 -2.152 0.000) 2.243 4.683 ( 3.656 -0.024 0.000) 3.656 4.778 ( -3.386 0.789 0.000) 3.477 4.894 ( -4.187 1.253 0.000) 4.371 4.910 ( -0.572 0.826 0.000) 1.005 4.973 ( 2.692 -0.748 0.000) 2.794 5.184 ( -1.529 2.001 0.000) 2.518 5.241 ( 1.332 -0.021 0.000) 1.332 5.567 ( -0.896 4.150 0.000) 4.246 5.649 ( -3.570 2.269 0.000) 4.230 5.818 ( -1.443 2.543 0.000) 2.924 5.868 ( -0.374 -0.625 0.000) 0.728 5.912 ( 0.305 2.359 0.000) 2.379 5.950 ( -0.350 1.804 0.000) 1.837 6.001 ( -1.443 -2.360 0.000) 2.766 6.063 ( -3.443 -2.020 0.000) 3.992 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 12.004 -1.112 0.000) 12.056 1.581 ( 13.199 5.050 0.000) 14.132 1.636 ( 5.931 1.095 0.000) 6.032 1.707 ( 2.068 1.008 0.000) 2.301 1.736 ( 8.127 -0.787 0.000) 8.165 1.806 ( 1.785 -3.451 0.000) 3.885 1.826 ( -0.585 -0.405 0.000) 0.711 1.919 ( 4.364 -1.741 0.000) 4.698 1.981 ( -3.394 0.491 0.000) 3.430 1.986 ( 3.165 6.933 0.000) 7.621 2.124 ( 6.363 8.249 0.000) 10.418 2.248 ( 3.848 5.813 0.000) 6.971 2.319 ( -3.164 -0.833 0.000) 3.272 2.383 ( -7.541 4.027 0.000) 8.549 2.429 ( 6.083 -3.662 0.000) 7.100 2.575 ( 0.165 -2.372 0.000) 2.378 2.824 ( 7.392 -5.225 0.000) 9.052 2.905 ( 4.385 -0.277 0.000) 4.394 2.923 ( 2.898 2.424 0.000) 3.778 3.007 ( 7.274 0.747 0.000) 7.313 3.028 ( -0.132 0.269 0.000) 0.299 3.036 ( -0.417 0.160 0.000) 0.447 3.073 ( 5.816 -4.318 0.000) 7.243 3.193 ( 0.444 -1.513 0.000) 1.576 3.242 ( 0.024 -5.958 0.000) 5.958 3.442 ( 4.195 -1.947 0.000) 4.625 4.185 ( -0.628 -0.491 0.000) 0.797 4.238 ( 2.907 -1.202 0.000) 3.146 4.245 ( 2.941 0.450 0.000) 2.976 4.276 ( -1.494 -0.541 0.000) 1.589 4.452 ( -3.606 1.321 0.000) 3.840 4.629 ( 1.827 2.034 0.000) 2.734 4.635 ( -1.215 -1.153 0.000) 1.676 4.683 ( -0.649 1.536 0.000) 1.668 4.821 ( 3.167 -2.810 0.000) 4.234 4.826 ( -2.490 -0.309 0.000) 2.509 4.896 ( -0.711 0.964 0.000) 1.198 5.039 ( 3.580 -1.234 0.000) 3.787 5.168 ( 0.639 3.619 0.000) 3.675 5.293 ( 4.263 0.537 0.000) 4.297 5.521 ( -0.890 3.583 0.000) 3.692 5.555 ( -5.059 2.555 0.000) 5.667 5.766 ( -2.255 1.846 0.000) 2.914 5.849 ( -2.137 -0.152 0.000) 2.142 5.896 ( -0.567 2.086 0.000) 2.161 5.930 ( -1.442 0.394 0.000) 1.495 5.980 ( -1.836 -0.923 0.000) 2.055 6.004 ( -3.702 -0.432 0.000) 3.727 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 8.733 -0.016 0.000) 8.733 1.681 ( 0.799 1.337 0.000) 1.557 1.719 ( 4.337 3.980 0.000) 5.886 1.736 ( 2.353 1.447 0.000) 2.762 1.799 ( -1.422 -2.880 0.000) 3.212 1.810 ( -0.940 2.055 0.000) 2.260 1.888 ( 0.362 -2.065 0.000) 2.096 1.979 ( 1.909 4.764 0.000) 5.132 1.992 ( 6.159 -0.302 0.000) 6.166 2.010 ( 2.951 2.983 0.000) 4.196 2.138 ( 1.948 2.375 0.000) 3.072 2.242 ( -4.254 3.626 0.000) 5.589 2.277 ( -2.000 0.470 0.000) 2.055 2.310 ( 4.376 3.757 0.000) 5.767 2.575 ( 7.856 -1.761 0.000) 8.051 2.576 ( -1.126 -1.235 0.000) 1.671 2.800 ( -2.600 1.051 0.000) 2.804 2.947 ( 1.297 -0.333 0.000) 1.339 3.012 ( -0.814 0.569 0.000) 0.993 3.014 ( 2.955 3.419 0.000) 4.519 3.020 ( -3.577 -8.305 0.000) 9.043 3.120 ( -4.642 -3.368 0.000) 5.735 3.137 ( 4.470 -0.805 0.000) 4.542 3.191 ( -0.579 -2.448 0.000) 2.515 3.376 ( 7.861 -3.325 0.000) 8.535 3.581 ( 8.946 -2.845 0.000) 9.388 4.176 ( -0.246 -0.493 0.000) 0.551 4.241 ( -0.839 -0.390 0.000) 0.925 4.302 ( 2.455 -0.266 0.000) 2.469 4.312 ( 2.604 0.550 0.000) 2.661 4.410 ( 0.717 0.833 0.000) 1.099 4.627 ( -0.655 4.740 0.000) 4.785 4.640 ( 1.486 -0.882 0.000) 1.729 4.685 ( 1.826 -0.466 0.000) 1.884 4.801 ( -0.126 0.154 0.000) 0.199 4.863 ( -0.534 -3.041 0.000) 3.087 4.874 ( -0.776 1.223 0.000) 1.449 5.115 ( 3.639 -1.286 0.000) 3.860 5.131 ( -3.099 3.823 0.000) 4.921 5.389 ( 5.904 0.550 0.000) 5.929 5.432 ( -6.377 2.256 0.000) 6.764 5.517 ( 1.872 1.224 0.000) 2.237 5.719 ( -1.848 1.098 0.000) 2.149 5.799 ( -2.901 -0.203 0.000) 2.908 5.874 ( -0.666 1.337 0.000) 1.494 5.886 ( -2.800 0.454 0.000) 2.837 5.926 ( -4.470 0.203 0.000) 4.475 5.942 ( -2.242 0.039 0.000) 2.242 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 1.417 0.634 0.000) 1.553 1.723 ( 3.501 0.405 0.000) 3.524 1.740 ( 0.493 3.166 0.000) 3.204 1.748 ( 0.443 0.395 0.000) 0.593 1.765 ( -1.248 0.835 0.000) 1.501 1.790 ( 0.159 -0.854 0.000) 0.869 1.857 ( -3.779 -1.264 0.000) 3.985 1.984 ( 1.149 1.799 0.000) 2.135 2.078 ( 4.008 0.368 0.000) 4.025 2.106 ( 3.916 -0.816 0.000) 4.000 2.150 ( -2.145 -1.900 0.000) 2.866 2.186 ( -0.752 1.917 0.000) 2.060 2.231 ( -0.797 1.318 0.000) 1.540 2.358 ( 1.836 2.682 0.000) 3.250 2.558 ( -0.860 -0.348 0.000) 0.928 2.709 ( 4.093 -2.654 0.000) 4.879 2.818 ( 6.898 7.718 0.000) 10.352 2.941 ( -9.077 -10.294 0.000) 13.725 2.970 ( 0.918 -0.323 0.000) 0.973 2.993 ( -0.815 0.425 0.000) 0.919 2.998 ( -1.992 4.048 0.000) 4.512 3.067 ( -1.485 -2.901 0.000) 3.260 3.184 ( 0.677 -0.473 0.000) 0.825 3.192 ( -0.311 -0.792 0.000) 0.851 3.479 ( 2.452 -0.229 0.000) 2.463 3.747 ( 4.896 -2.038 0.000) 5.303 4.178 ( 0.058 -0.251 0.000) 0.257 4.235 ( -0.075 -0.108 0.000) 0.131 4.323 ( 0.435 0.526 0.000) 0.683 4.341 ( 0.821 0.343 0.000) 0.889 4.464 ( 3.295 -1.506 0.000) 3.623 4.570 ( -2.275 3.404 0.000) 4.095 4.673 ( 0.558 -0.575 0.000) 0.802 4.748 ( 4.256 0.603 0.000) 4.298 4.836 ( -3.537 -2.247 0.000) 4.190 4.844 ( 3.204 0.225 0.000) 3.212 4.867 ( 2.427 -0.500 0.000) 2.478 5.011 ( -7.102 2.725 0.000) 7.607 5.191 ( 3.769 -0.852 0.000) 3.864 5.305 ( -5.424 1.327 0.000) 5.584 5.494 ( 4.823 0.308 0.000) 4.833 5.549 ( 0.480 -0.074 0.000) 0.485 5.689 ( -0.565 0.529 0.000) 0.774 5.753 ( -1.675 -0.059 0.000) 1.676 5.835 ( -1.650 0.472 0.000) 1.716 5.849 ( -2.837 -0.073 0.000) 2.838 5.859 ( -0.269 0.470 0.000) 0.542 5.907 ( -1.066 0.150 0.000) 1.076 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 17.772 -0.000 0.000) 17.772 0.923 ( 23.210 -0.000 0.000) 23.210 1.148 ( 15.414 -0.000 0.000) 15.414 1.385 ( 8.392 -0.000 0.000) 8.392 1.465 ( 33.646 -0.000 0.000) 33.646 1.626 ( 5.326 -0.000 0.000) 5.326 1.737 ( -0.213 0.000 0.000) 0.213 1.795 ( -0.378 0.000 0.000) 0.378 1.796 ( 9.512 -0.000 0.000) 9.512 1.858 ( 4.615 -0.000 0.000) 4.615 2.002 ( 3.570 -0.000 0.000) 3.570 2.117 ( -2.065 0.000 0.000) 2.065 2.178 ( 11.120 -0.000 0.000) 11.120 2.240 ( 7.272 -0.000 0.000) 7.272 2.388 ( 13.809 -0.000 0.000) 13.809 2.407 ( 3.398 -0.000 0.000) 3.398 2.530 ( -4.185 0.000 0.000) 4.185 2.816 ( -4.912 0.000 0.000) 4.912 2.832 ( -0.134 0.000 0.000) 0.134 2.905 ( 5.733 -0.000 0.000) 5.733 2.963 ( 1.728 -0.000 0.000) 1.728 2.963 ( -2.976 0.000 0.000) 2.976 3.009 ( 0.892 -0.000 0.000) 0.892 3.179 ( 2.331 -0.000 0.000) 2.331 3.356 ( -7.413 0.000 0.000) 7.413 3.408 ( -1.191 0.000 0.000) 1.191 4.009 ( 12.032 -0.000 0.000) 12.032 4.116 ( 3.597 -0.000 0.000) 3.597 4.253 ( -2.376 0.000 0.000) 2.376 4.345 ( 11.051 -0.000 0.000) 11.051 4.353 ( -2.314 0.000 0.000) 2.314 4.531 ( 2.987 -0.000 0.000) 2.987 4.643 ( -0.621 0.000 0.000) 0.621 4.643 ( -0.326 0.000 0.000) 0.326 4.914 ( -7.487 0.000 0.000) 7.487 4.924 ( 1.789 -0.000 0.000) 1.789 4.929 ( -0.644 0.000 0.000) 0.644 5.008 ( -5.235 0.000 0.000) 5.235 5.232 ( -0.877 0.000 0.000) 0.877 5.252 ( -4.281 0.000 0.000) 4.281 5.582 ( 3.337 -0.000 0.000) 3.337 5.726 ( -2.548 0.000 0.000) 2.548 5.834 ( 0.526 -0.000 0.000) 0.526 5.866 ( 0.789 -0.000 0.000) 0.789 5.919 ( 1.176 -0.000 0.000) 1.176 6.001 ( -1.652 0.000 0.000) 1.652 6.023 ( -1.798 0.000 0.000) 1.798 6.085 ( -4.001 0.000 0.000) 4.001 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 15.350 -0.781 0.000) 15.369 1.327 ( 19.702 1.849 0.000) 19.788 1.448 ( 15.404 -0.556 0.000) 15.414 1.526 ( 6.998 -0.294 0.000) 7.004 1.729 ( 5.635 -1.694 0.000) 5.884 1.730 ( 0.047 1.030 0.000) 1.031 1.778 ( -1.394 -0.984 0.000) 1.706 1.887 ( 0.416 1.313 0.000) 1.377 1.989 ( 16.253 1.152 0.000) 16.294 2.006 ( 12.186 1.629 0.000) 12.295 2.062 ( -3.590 0.344 0.000) 3.606 2.104 ( 7.466 -1.996 0.000) 7.729 2.256 ( 0.669 -1.745 0.000) 1.868 2.388 ( 6.759 2.071 0.000) 7.069 2.476 ( 3.607 0.526 0.000) 3.645 2.580 ( 8.177 0.861 0.000) 8.222 2.589 ( -1.435 -0.380 0.000) 1.485 2.754 ( 6.633 0.805 0.000) 6.682 2.858 ( 3.509 0.321 0.000) 3.523 2.947 ( 0.992 0.305 0.000) 1.038 2.980 ( 1.925 -0.551 0.000) 2.003 3.025 ( 0.614 -0.186 0.000) 0.641 3.045 ( 6.053 -1.542 0.000) 6.247 3.150 ( -5.782 -0.229 0.000) 5.786 3.244 ( -2.951 -0.215 0.000) 2.959 3.391 ( -0.576 -0.665 0.000) 0.879 4.150 ( 4.606 0.348 0.000) 4.619 4.186 ( 3.809 0.364 0.000) 3.826 4.212 ( -2.002 -0.900 0.000) 2.195 4.308 ( -2.508 -0.460 0.000) 2.550 4.523 ( -2.160 0.347 0.000) 2.188 4.560 ( 8.145 -0.535 0.000) 8.163 4.632 ( -0.716 -0.722 0.000) 1.017 4.684 ( 3.829 0.070 0.000) 3.830 4.784 ( -4.852 0.321 0.000) 4.862 4.904 ( -5.222 0.471 0.000) 5.243 4.917 ( -0.606 0.293 0.000) 0.673 4.967 ( 2.708 -0.277 0.000) 2.723 5.198 ( -0.993 0.611 0.000) 1.166 5.240 ( 1.737 -0.100 0.000) 1.740 5.598 ( -0.944 1.494 0.000) 1.768 5.666 ( -3.679 0.790 0.000) 3.762 5.843 ( -1.323 1.872 0.000) 2.292 5.860 ( 0.036 -0.945 0.000) 0.946 5.939 ( 0.815 2.288 0.000) 2.429 5.973 ( -2.047 2.057 0.000) 2.901 5.974 ( -1.340 -2.256 0.000) 2.624 6.037 ( -2.366 -2.171 0.000) 3.211 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 12.561 -0.611 0.000) 12.576 1.627 ( 12.790 3.125 0.000) 13.166 1.647 ( 6.214 0.822 0.000) 6.268 1.711 ( 7.135 -0.319 0.000) 7.142 1.736 ( 3.094 0.730 0.000) 3.179 1.772 ( 1.558 -2.639 0.000) 3.065 1.817 ( 1.173 -0.969 0.000) 1.521 1.912 ( 4.399 0.190 0.000) 4.403 1.986 ( -3.663 0.351 0.000) 3.679 2.046 ( -0.211 3.671 0.000) 3.677 2.195 ( 8.001 4.388 0.000) 9.125 2.245 ( 5.542 -1.709 0.000) 5.800 2.383 ( 1.739 0.313 0.000) 1.767 2.400 ( 3.001 5.999 0.000) 6.708 2.424 ( -7.987 3.199 0.000) 8.604 2.549 ( 0.943 -2.244 0.000) 2.434 2.754 ( 4.743 -6.920 0.000) 8.390 2.903 ( 4.021 -0.091 0.000) 4.022 2.946 ( 3.965 1.742 0.000) 4.331 3.005 ( 0.068 -3.460 0.000) 3.461 3.014 ( 6.765 0.513 0.000) 6.784 3.030 ( -0.079 0.142 0.000) 0.162 3.066 ( 3.347 0.780 0.000) 3.437 3.168 ( 2.710 -3.076 0.000) 4.099 3.204 ( -1.772 -0.865 0.000) 1.971 3.423 ( 4.178 -1.474 0.000) 4.430 4.181 ( -0.864 -0.159 0.000) 0.878 4.227 ( 3.328 -0.774 0.000) 3.417 4.251 ( 2.385 0.662 0.000) 2.475 4.268 ( -0.842 -0.746 0.000) 1.125 4.464 ( -2.966 0.908 0.000) 3.102 4.626 ( -0.304 -0.528 0.000) 0.610 4.636 ( 1.083 -0.210 0.000) 1.104 4.713 ( 0.697 3.451 0.000) 3.521 4.789 ( 2.402 -3.143 0.000) 3.956 4.823 ( -2.919 -0.291 0.000) 2.934 4.903 ( -0.693 0.449 0.000) 0.826 5.029 ( 3.506 -0.626 0.000) 3.562 5.197 ( 0.724 1.680 0.000) 1.829 5.298 ( 4.372 0.287 0.000) 4.381 5.553 ( -2.001 2.155 0.000) 2.940 5.576 ( -5.287 1.329 0.000) 5.451 5.787 ( -2.648 1.749 0.000) 3.173 5.847 ( -2.265 -0.150 0.000) 2.270 5.918 ( -1.128 1.839 0.000) 2.157 5.934 ( -1.719 0.312 0.000) 1.747 5.969 ( -1.001 -1.098 0.000) 1.486 5.997 ( -3.050 -0.732 0.000) 3.137 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 9.355 -0.072 0.000) 9.355 1.695 ( 0.099 1.057 0.000) 1.061 1.748 ( 1.885 1.385 0.000) 2.339 1.751 ( 2.716 1.103 0.000) 2.932 1.774 ( -0.382 -1.589 0.000) 1.634 1.841 ( 2.473 3.204 0.000) 4.047 1.867 ( -0.074 -1.806 0.000) 1.807 1.989 ( 5.774 -0.266 0.000) 5.781 1.994 ( 3.760 0.803 0.000) 3.845 2.054 ( 1.664 0.931 0.000) 1.906 2.188 ( -4.879 8.356 0.000) 9.676 2.277 ( -5.040 2.701 0.000) 5.719 2.288 ( -0.406 1.960 0.000) 2.001 2.358 ( 4.984 3.830 0.000) 6.286 2.537 ( 4.827 -5.290 0.000) 7.161 2.563 ( -0.525 -1.175 0.000) 1.286 2.786 ( 0.435 -3.976 0.000) 4.000 2.943 ( -4.649 -4.072 0.000) 6.180 2.944 ( 1.319 -0.247 0.000) 1.341 3.018 ( -0.795 0.513 0.000) 0.946 3.034 ( 2.280 -0.040 0.000) 2.281 3.120 ( -2.553 2.598 0.000) 3.642 3.128 ( 4.107 -0.680 0.000) 4.163 3.168 ( -0.226 -1.570 0.000) 1.586 3.338 ( 11.088 -3.570 0.000) 11.648 3.551 ( 7.583 -2.448 0.000) 7.969 4.174 ( 0.038 -0.017 0.000) 0.042 4.238 ( -0.633 -0.184 0.000) 0.660 4.297 ( 3.182 -0.620 0.000) 3.242 4.317 ( 2.710 0.431 0.000) 2.744 4.421 ( -0.584 0.990 0.000) 1.150 4.633 ( 0.987 -0.478 0.000) 1.097 4.669 ( 2.284 1.458 0.000) 2.710 4.688 ( -0.824 2.659 0.000) 2.784 4.800 ( 0.298 -0.222 0.000) 0.371 4.827 ( -0.561 -3.562 0.000) 3.606 4.884 ( -1.029 0.609 0.000) 1.196 5.103 ( 3.896 -0.816 0.000) 3.981 5.167 ( -3.396 2.733 0.000) 4.359 5.394 ( 5.795 0.416 0.000) 5.810 5.452 ( -6.835 1.466 0.000) 6.991 5.529 ( 0.697 0.912 0.000) 1.148 5.734 ( -2.017 1.514 0.000) 2.522 5.794 ( -3.069 -0.648 0.000) 3.137 5.887 ( -1.179 1.081 0.000) 1.600 5.890 ( -2.751 0.309 0.000) 2.768 5.927 ( -4.366 0.039 0.000) 4.366 5.942 ( -1.949 -0.052 0.000) 1.950 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.611 1.693 0.000) 2.337 1.722 ( 3.219 -0.669 0.000) 3.287 1.749 ( -0.853 -0.094 0.000) 0.858 1.755 ( 0.177 -0.001 0.000) 0.177 1.786 ( 1.153 0.109 0.000) 1.158 1.814 ( -2.593 7.362 0.000) 7.806 1.842 ( -2.531 -1.353 0.000) 2.870 2.002 ( -1.746 1.714 0.000) 2.447 2.085 ( 3.852 0.782 0.000) 3.931 2.097 ( 3.868 -0.758 0.000) 3.941 2.131 ( -0.733 -1.303 0.000) 1.495 2.206 ( -2.009 1.584 0.000) 2.558 2.242 ( -2.361 0.691 0.000) 2.460 2.388 ( -1.152 2.100 0.000) 2.395 2.553 ( -0.482 -0.435 0.000) 0.649 2.635 ( 1.939 -9.976 0.000) 10.163 2.846 ( -4.143 -3.669 0.000) 5.534 2.895 ( 5.256 1.772 0.000) 5.547 2.967 ( 0.973 -0.260 0.000) 1.007 2.998 ( -0.940 0.482 0.000) 1.056 3.018 ( -2.960 1.782 0.000) 3.455 3.083 ( 2.419 4.288 0.000) 4.924 3.178 ( 1.114 -0.599 0.000) 1.265 3.178 ( 0.119 -1.632 0.000) 1.636 3.487 ( 3.989 1.699 0.000) 4.336 3.712 ( 5.762 -4.212 0.000) 7.137 4.179 ( 0.569 0.470 0.000) 0.738 4.236 ( 0.193 0.173 0.000) 0.259 4.329 ( 0.288 0.605 0.000) 0.670 4.347 ( 0.650 0.582 0.000) 0.873 4.444 ( 2.141 -2.042 0.000) 2.958 4.608 ( -3.701 3.481 0.000) 5.081 4.660 ( 0.626 -1.599 0.000) 1.718 4.754 ( 4.717 0.512 0.000) 4.744 4.810 ( -2.351 -2.493 0.000) 3.427 4.846 ( 4.140 0.098 0.000) 4.141 4.864 ( -0.134 -0.119 0.000) 0.179 5.041 ( -7.736 2.605 0.000) 8.163 5.183 ( 4.059 -0.609 0.000) 4.105 5.317 ( -6.144 0.996 0.000) 6.224 5.498 ( 4.748 0.331 0.000) 4.760 5.547 ( 0.117 -0.184 0.000) 0.219 5.697 ( -0.930 0.971 0.000) 1.344 5.750 ( -1.711 -0.557 0.000) 1.799 5.840 ( -1.803 0.404 0.000) 1.847 5.849 ( -3.051 -0.057 0.000) 3.052 5.864 ( -0.798 0.381 0.000) 0.884 5.909 ( -1.159 0.156 0.000) 1.170 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.980 0.406 0.000) 2.021 1.714 ( -3.707 -1.089 0.000) 3.864 1.724 ( -3.359 0.655 0.000) 3.422 1.742 ( -0.945 -0.641 0.000) 1.142 1.762 ( 0.661 -0.137 0.000) 0.675 1.804 ( 1.423 1.624 0.000) 2.159 1.868 ( 4.515 0.697 0.000) 4.568 1.961 ( -3.486 -2.348 0.000) 4.203 2.079 ( -3.072 0.622 0.000) 3.134 2.113 ( -3.485 0.528 0.000) 3.524 2.165 ( 0.832 0.536 0.000) 0.990 2.166 ( -1.107 -1.737 0.000) 2.060 2.216 ( 0.881 -1.167 0.000) 1.462 2.334 ( -3.516 -1.808 0.000) 3.954 2.561 ( 1.220 0.180 0.000) 1.233 2.667 ( -4.615 -8.666 0.000) 9.818 2.784 ( -2.334 1.275 0.000) 2.659 2.924 ( -0.866 -6.638 0.000) 6.694 2.973 ( -0.819 0.338 0.000) 0.886 2.989 ( 0.635 -0.306 0.000) 0.705 3.078 ( 10.095 11.560 0.000) 15.348 3.112 ( 2.879 4.402 0.000) 5.260 3.188 ( -0.255 0.220 0.000) 0.336 3.193 ( 0.965 -0.596 0.000) 1.134 3.494 ( -1.596 2.622 0.000) 3.069 3.754 ( -3.382 -0.787 0.000) 3.472 4.185 ( 0.455 1.119 0.000) 1.208 4.238 ( 0.272 0.435 0.000) 0.513 4.318 ( -1.029 -0.291 0.000) 1.070 4.340 ( -1.049 0.094 0.000) 1.053 4.470 ( -2.525 -0.845 0.000) 2.663 4.541 ( -0.543 -1.504 0.000) 1.599 4.670 ( -0.187 -1.047 0.000) 1.063 4.741 ( -3.440 -0.592 0.000) 3.490 4.841 ( -2.173 -0.278 0.000) 2.191 4.858 ( 4.271 1.731 0.000) 4.609 4.873 ( -5.140 0.579 0.000) 5.172 4.985 ( 6.131 -1.763 0.000) 6.379 5.201 ( -3.479 1.024 0.000) 3.627 5.289 ( 4.626 -1.478 0.000) 4.856 5.491 ( -4.973 -0.213 0.000) 4.977 5.549 ( -0.807 -0.065 0.000) 0.809 5.686 ( 0.240 -0.083 0.000) 0.254 5.752 ( 1.642 -0.328 0.000) 1.675 5.830 ( 1.444 -0.434 0.000) 1.508 5.850 ( 2.619 0.071 0.000) 2.620 5.854 ( -0.247 -0.448 0.000) 0.511 5.906 ( 0.930 -0.108 0.000) 0.936 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -8.062 -0.070 0.000) 8.062 1.667 ( -1.495 -1.323 0.000) 1.996 1.667 ( -5.431 -5.000 0.000) 7.382 1.721 ( -2.159 -1.351 0.000) 2.547 1.794 ( 2.293 -1.092 0.000) 2.539 1.835 ( 2.129 3.601 0.000) 4.184 1.899 ( -4.705 -7.346 0.000) 8.723 1.911 ( -0.323 2.045 0.000) 2.071 1.995 ( -6.594 0.326 0.000) 6.602 2.012 ( -3.145 1.360 0.000) 3.427 2.108 ( -5.538 -2.969 0.000) 6.284 2.199 ( 3.566 -4.062 0.000) 5.405 2.232 ( -4.495 -5.922 0.000) 7.435 2.327 ( 4.539 4.717 0.000) 6.546 2.575 ( -6.905 -1.598 0.000) 7.088 2.588 ( 1.637 0.965 0.000) 1.900 2.786 ( 3.125 -0.753 0.000) 3.214 2.951 ( -1.263 0.358 0.000) 1.313 2.958 ( -0.486 -5.698 0.000) 5.718 3.006 ( 0.775 -0.507 0.000) 0.926 3.101 ( -2.060 5.252 0.000) 5.641 3.145 ( -4.686 0.721 0.000) 4.741 3.182 ( 4.853 5.970 0.000) 7.694 3.225 ( 3.231 4.772 0.000) 5.763 3.412 ( -5.130 3.463 0.000) 6.189 3.609 ( -9.785 2.105 0.000) 10.008 4.185 ( 0.417 1.227 0.000) 1.296 4.246 ( 1.032 0.567 0.000) 1.177 4.301 ( -1.507 -0.620 0.000) 1.629 4.307 ( -2.571 -0.283 0.000) 2.587 4.405 ( -2.011 -0.031 0.000) 2.011 4.574 ( 0.551 -4.810 0.000) 4.842 4.651 ( -1.414 0.978 0.000) 1.719 4.690 ( -1.687 0.454 0.000) 1.747 4.794 ( 0.171 -1.074 0.000) 1.087 4.857 ( 0.230 -1.774 0.000) 1.789 4.893 ( 0.426 2.353 0.000) 2.392 5.089 ( 2.460 -3.611 0.000) 4.369 5.131 ( -3.236 1.617 0.000) 3.617 5.383 ( -6.049 -0.537 0.000) 6.072 5.404 ( 5.736 -2.702 0.000) 6.341 5.503 ( -2.976 -1.200 0.000) 3.208 5.710 ( 1.692 -0.570 0.000) 1.786 5.799 ( 2.919 -0.109 0.000) 2.921 5.859 ( 0.242 -1.252 0.000) 1.275 5.880 ( 2.862 -0.519 0.000) 2.908 5.923 ( 4.383 -0.351 0.000) 4.397 5.941 ( 2.469 -0.116 0.000) 2.472 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -11.105 1.422 0.000) 11.195 1.523 ( -12.982 -5.203 0.000) 13.986 1.624 ( -5.129 -1.122 0.000) 5.251 1.693 ( -1.302 -1.549 0.000) 2.023 1.748 ( -9.332 1.155 0.000) 9.403 1.822 ( 0.170 -1.260 0.000) 1.271 1.842 ( -2.936 2.866 0.000) 4.102 1.898 ( -1.853 -8.597 0.000) 8.795 1.954 ( -2.888 4.140 0.000) 5.047 1.979 ( 3.442 0.241 0.000) 3.451 2.026 ( -5.724 -8.934 0.000) 10.610 2.156 ( -5.681 -8.573 0.000) 10.284 2.339 ( 7.854 -3.905 0.000) 8.771 2.376 ( 2.858 7.100 0.000) 7.654 2.463 ( -4.923 2.228 0.000) 5.404 2.598 ( 0.167 1.924 0.000) 1.931 2.864 ( -2.841 1.923 0.000) 3.431 2.897 ( -4.978 -1.919 0.000) 5.336 2.910 ( -4.588 0.586 0.000) 4.625 2.999 ( -7.737 -0.755 0.000) 7.773 3.018 ( -2.548 -2.203 0.000) 3.368 3.025 ( -0.096 -0.241 0.000) 0.259 3.140 ( -7.763 6.883 0.000) 10.374 3.214 ( -0.419 2.339 0.000) 2.376 3.315 ( 0.019 6.966 0.000) 6.966 3.462 ( -3.927 1.546 0.000) 4.220 4.192 ( 0.289 0.906 0.000) 0.951 4.242 ( -3.513 -0.010 0.000) 3.513 4.252 ( -2.299 1.235 0.000) 2.610 4.280 ( 2.029 0.181 0.000) 2.037 4.437 ( 4.243 -1.249 0.000) 4.423 4.592 ( -1.530 -4.342 0.000) 4.604 4.651 ( 2.260 1.731 0.000) 2.847 4.679 ( 0.680 0.147 0.000) 0.695 4.828 ( 2.231 -0.102 0.000) 2.234 4.850 ( -3.612 2.361 0.000) 4.315 4.881 ( 0.999 -1.720 0.000) 1.989 5.055 ( -3.730 1.755 0.000) 4.122 5.119 ( -1.125 -5.276 0.000) 5.394 5.287 ( -4.197 -0.686 0.000) 4.253 5.481 ( -0.443 -3.428 0.000) 3.456 5.522 ( 4.732 -3.424 0.000) 5.841 5.749 ( 1.893 -1.240 0.000) 2.263 5.850 ( 2.240 0.180 0.000) 2.248 5.874 ( 0.356 -1.815 0.000) 1.849 5.925 ( 1.371 -0.395 0.000) 1.426 5.989 ( 2.488 0.638 0.000) 2.569 6.005 ( 3.990 -0.252 0.000) 3.998 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -13.327 3.335 0.000) 13.738 1.252 ( -17.689 -3.072 0.000) 17.954 1.474 ( -10.934 1.428 0.000) 11.026 1.546 ( -8.974 1.457 0.000) 9.091 1.689 ( -0.737 -2.367 0.000) 2.479 1.803 ( -0.679 0.258 0.000) 0.726 1.815 ( -8.068 2.615 0.000) 8.481 1.819 ( -3.257 -4.277 0.000) 5.376 1.910 ( -2.552 -5.361 0.000) 5.937 1.926 ( -6.234 -1.801 0.000) 6.489 2.048 ( 3.138 -0.462 0.000) 3.172 2.156 ( -3.981 -4.570 0.000) 6.061 2.296 ( -8.608 1.155 0.000) 8.685 2.348 ( -7.306 3.269 0.000) 8.004 2.449 ( -1.935 -1.660 0.000) 2.549 2.579 ( -12.119 3.207 0.000) 12.536 2.605 ( 1.300 0.762 0.000) 1.507 2.719 ( -9.047 -1.438 0.000) 9.161 2.861 ( -3.374 1.042 0.000) 3.531 2.935 ( -1.085 -0.602 0.000) 1.241 2.989 ( -4.472 -1.503 0.000) 4.718 3.032 ( 0.178 0.219 0.000) 0.282 3.091 ( 4.421 -2.105 0.000) 4.896 3.145 ( -5.404 4.504 0.000) 7.034 3.290 ( 0.790 2.873 0.000) 2.980 3.429 ( 1.109 2.376 0.000) 2.622 4.139 ( -5.097 -0.381 0.000) 5.111 4.171 ( -4.012 -0.599 0.000) 4.057 4.252 ( 1.930 2.053 0.000) 2.818 4.321 ( 1.925 0.097 0.000) 1.927 4.509 ( -1.266 -0.861 0.000) 1.531 4.575 ( 0.457 0.165 0.000) 0.486 4.678 ( 0.602 3.317 0.000) 3.372 4.686 ( -3.458 0.505 0.000) 3.494 4.768 ( 0.509 -0.801 0.000) 0.949 4.878 ( 2.802 -1.690 0.000) 3.272 4.899 ( 0.232 -1.143 0.000) 1.166 4.983 ( -2.805 1.036 0.000) 2.991 5.152 ( 2.857 -4.141 0.000) 5.031 5.239 ( -1.060 -0.381 0.000) 1.127 5.515 ( 0.993 -4.884 0.000) 4.983 5.618 ( 3.499 -3.337 0.000) 4.835 5.792 ( 1.539 -2.049 0.000) 2.563 5.875 ( 0.586 0.570 0.000) 0.817 5.889 ( 0.063 -1.835 0.000) 1.836 5.935 ( -0.542 -0.894 0.000) 1.046 6.025 ( 2.083 2.004 0.000) 2.891 6.078 ( 3.939 0.625 0.000) 3.988 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -14.878 5.943 0.000) 16.021 0.902 ( -19.542 1.452 0.000) 19.596 1.222 ( -12.337 5.965 0.000) 13.703 1.394 ( -7.584 0.557 0.000) 7.605 1.624 ( -22.342 8.524 0.000) 23.912 1.651 ( -8.393 -1.084 0.000) 8.463 1.696 ( -0.049 -2.970 0.000) 2.971 1.757 ( -10.550 1.358 0.000) 10.637 1.794 ( -0.755 -0.901 0.000) 1.176 1.864 ( -5.453 0.716 0.000) 5.499 1.973 ( -4.459 -2.345 0.000) 5.039 2.074 ( -2.718 -3.021 0.000) 4.064 2.101 ( -14.598 -3.141 0.000) 14.932 2.253 ( -1.022 -2.234 0.000) 2.457 2.308 ( -9.729 -4.194 0.000) 10.595 2.491 ( -5.007 4.206 0.000) 6.540 2.505 ( 1.632 -1.360 0.000) 2.124 2.789 ( 5.883 -2.030 0.000) 6.224 2.824 ( -0.843 -0.147 0.000) 0.856 2.907 ( -4.762 -1.718 0.000) 5.062 2.938 ( 1.111 -1.384 0.000) 1.775 2.999 ( -6.510 3.916 0.000) 7.597 3.030 ( 0.249 1.231 0.000) 1.255 3.160 ( 1.453 -0.338 0.000) 1.492 3.330 ( 3.478 -2.193 0.000) 4.112 3.460 ( 3.175 3.087 0.000) 4.428 3.995 ( -11.983 -1.086 0.000) 12.032 4.097 ( -4.499 -1.451 0.000) 4.727 4.257 ( -1.721 -0.107 0.000) 1.725 4.342 ( -0.123 -1.612 0.000) 1.617 4.388 ( -6.269 3.715 0.000) 7.287 4.539 ( -4.240 0.605 0.000) 4.283 4.618 ( -5.918 -1.565 0.000) 6.122 4.658 ( 2.353 1.353 0.000) 2.715 4.863 ( 4.265 -3.133 0.000) 5.293 4.906 ( 0.329 -0.929 0.000) 0.985 4.950 ( 0.828 0.934 0.000) 1.249 4.968 ( 4.722 -2.940 0.000) 5.563 5.229 ( 2.082 0.181 0.000) 2.090 5.283 ( 6.872 0.820 0.000) 6.921 5.547 ( -0.206 -2.640 0.000) 2.648 5.691 ( 2.490 -2.830 0.000) 3.769 5.820 ( 0.412 -1.257 0.000) 1.323 5.871 ( -0.860 0.420 0.000) 0.957 5.897 ( -0.061 -1.156 0.000) 1.158 5.928 ( -0.863 -3.555 0.000) 3.658 6.048 ( 1.854 3.157 0.000) 3.661 6.153 ( 4.909 2.011 0.000) 5.305 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -14.349 10.410 0.000) 17.727 0.517 ( -16.745 10.353 0.000) 19.687 0.976 ( -8.551 9.168 0.000) 12.537 0.993 ( -30.995 21.177 0.000) 37.539 1.227 ( -8.949 2.744 0.000) 9.360 1.498 ( -9.824 1.594 0.000) 9.952 1.606 ( -3.319 -6.574 0.000) 7.364 1.715 ( 0.237 -2.556 0.000) 2.567 1.778 ( -1.463 -1.021 0.000) 1.784 1.792 ( -4.854 -3.619 0.000) 6.055 1.827 ( -9.939 -2.062 0.000) 10.150 1.985 ( -1.065 -1.417 0.000) 1.773 1.996 ( -5.988 -11.470 0.000) 12.939 2.223 ( -0.891 5.745 0.000) 5.814 2.244 ( -0.361 -0.822 0.000) 0.898 2.403 ( -1.804 5.299 0.000) 5.597 2.607 ( 6.400 -5.180 0.000) 8.234 2.784 ( -3.995 -1.666 0.000) 4.329 2.859 ( 1.423 -0.737 0.000) 1.603 2.862 ( -0.424 -0.387 0.000) 0.574 2.877 ( -5.721 -2.046 0.000) 6.076 2.983 ( 1.095 -1.700 0.000) 2.022 3.045 ( 2.487 0.538 0.000) 2.544 3.163 ( 0.457 4.361 0.000) 4.385 3.421 ( 3.284 -5.122 0.000) 6.084 3.491 ( 2.069 4.594 0.000) 5.038 3.700 ( -16.644 -0.151 0.000) 16.644 4.010 ( -7.590 -5.683 0.000) 9.481 4.196 ( -3.313 -0.946 0.000) 3.445 4.322 ( -0.275 2.418 0.000) 2.433 4.332 ( -5.167 -8.536 0.000) 9.978 4.470 ( -2.323 1.906 0.000) 3.005 4.485 ( -10.321 -6.747 0.000) 12.330 4.690 ( 1.671 2.132 0.000) 2.709 4.891 ( -0.553 -1.002 0.000) 1.144 4.913 ( -0.125 -0.313 0.000) 0.337 5.026 ( 4.435 -1.184 0.000) 4.590 5.073 ( 4.086 -2.925 0.000) 5.025 5.265 ( 1.867 0.501 0.000) 1.933 5.412 ( 7.138 4.182 0.000) 8.273 5.548 ( 2.636 4.233 0.000) 4.987 5.742 ( 1.401 -2.337 0.000) 2.725 5.830 ( -0.295 -0.522 0.000) 0.600 5.839 ( -1.194 0.213 0.000) 1.213 5.902 ( 0.134 -0.483 0.000) 0.501 5.932 ( -3.048 -7.030 0.000) 7.662 6.058 ( 1.138 3.450 0.000) 3.633 6.243 ( 6.330 3.454 0.000) 7.212 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.207 ( 0.000 18.546 0.000) 18.546 0.283 ( 0.000 25.612 0.000) 25.612 0.374 ( 0.000 33.965 0.000) 33.965 0.836 ( 0.000 8.758 0.000) 8.758 1.102 ( 0.000 3.073 0.000) 3.073 1.378 ( 0.000 0.497 0.000) 0.497 1.625 ( -0.000 -1.902 0.000) 1.902 1.702 ( -0.000 -10.207 0.000) 10.207 1.727 ( -0.000 -1.396 0.000) 1.396 1.766 ( -0.000 -0.896 0.000) 0.896 1.785 ( 0.000 0.583 0.000) 0.583 1.984 ( 0.000 0.217 0.000) 0.217 2.019 ( -0.000 -13.932 0.000) 13.932 2.176 ( 0.000 7.555 0.000) 7.555 2.240 ( 0.000 3.536 0.000) 3.536 2.362 ( 0.000 3.633 0.000) 3.633 2.728 ( -0.000 -0.552 0.000) 0.552 2.746 ( -0.000 -1.142 0.000) 1.142 2.827 ( -0.000 -9.721 0.000) 9.721 2.866 ( -0.000 -1.849 0.000) 1.849 2.876 ( -0.000 -0.516 0.000) 0.516 2.991 ( 0.000 0.142 0.000) 0.142 3.082 ( -0.000 -1.232 0.000) 1.232 3.140 ( 0.000 9.779 0.000) 9.779 3.491 ( -0.000 -5.168 0.000) 5.168 3.503 ( 0.000 0.583 0.000) 0.583 3.513 ( 0.000 0.394 0.000) 0.394 3.714 ( -0.000 -0.320 0.000) 0.320 4.168 ( -0.000 -0.513 0.000) 0.513 4.179 ( -0.000 -0.719 0.000) 0.719 4.318 ( -0.000 -0.011 0.000) 0.011 4.409 ( -0.000 -0.238 0.000) 0.238 4.430 ( 0.000 3.119 0.000) 3.119 4.695 ( 0.000 1.646 0.000) 1.646 4.888 ( -0.000 -0.486 0.000) 0.486 4.906 ( 0.000 0.681 0.000) 0.681 5.077 ( -0.000 -1.089 0.000) 1.089 5.131 ( -0.000 -2.704 0.000) 2.704 5.281 ( 0.000 0.434 0.000) 0.434 5.454 ( 0.000 2.475 0.000) 2.475 5.758 ( -0.000 -1.889 0.000) 1.889 5.767 ( -0.000 -1.820 0.000) 1.820 5.785 ( 0.000 0.144 0.000) 0.144 5.814 ( 0.000 0.132 0.000) 0.132 5.842 ( -0.000 -0.299 0.000) 0.299 5.905 ( -0.000 -0.253 0.000) 0.253 6.052 ( 0.000 2.795 0.000) 2.795 6.349 ( -0.000 -0.763 0.000) 0.763 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 12.747 -0.000 0.000) 12.747 1.645 ( 12.519 -0.000 0.000) 12.519 1.652 ( 6.140 -0.000 0.000) 6.140 1.708 ( 9.135 -0.000 0.000) 9.135 1.747 ( -1.174 0.000 0.000) 1.174 1.750 ( 4.038 -0.000 0.000) 4.038 1.811 ( 2.073 -0.000 0.000) 2.073 1.915 ( 4.344 -0.000 0.000) 4.344 1.988 ( -3.806 0.000 0.000) 3.806 2.065 ( -3.248 0.000 0.000) 3.248 2.217 ( 7.379 -0.000 0.000) 7.379 2.239 ( 9.570 -0.000 0.000) 9.570 2.367 ( 6.201 -0.000 0.000) 6.201 2.444 ( -8.940 0.000 0.000) 8.940 2.462 ( 0.101 -0.000 0.000) 0.101 2.534 ( 1.998 -0.000 0.000) 1.998 2.704 ( 1.682 -0.000 0.000) 1.682 2.903 ( 3.859 -0.000 0.000) 3.859 2.958 ( 5.605 -0.000 0.000) 5.605 2.983 ( -1.548 0.000 0.000) 1.548 3.017 ( 6.561 -0.000 0.000) 6.561 3.031 ( -0.047 0.000 0.000) 0.047 3.071 ( 3.938 -0.000 0.000) 3.938 3.149 ( 3.507 -0.000 0.000) 3.507 3.202 ( -2.558 0.000 0.000) 2.558 3.414 ( 4.118 -0.000 0.000) 4.118 4.181 ( -0.977 0.000 0.000) 0.977 4.222 ( 3.512 -0.000 0.000) 3.512 4.258 ( 3.672 -0.000 0.000) 3.672 4.261 ( -2.066 0.000 0.000) 2.066 4.470 ( -2.698 0.000 0.000) 2.698 4.623 ( 0.059 -0.000 0.000) 0.059 4.634 ( 0.839 -0.000 0.000) 0.839 4.748 ( 2.555 -0.000 0.000) 2.555 4.756 ( 0.710 -0.000 0.000) 0.710 4.821 ( -3.120 0.000 0.000) 3.120 4.906 ( -0.713 0.000 0.000) 0.713 5.025 ( 3.485 -0.000 0.000) 3.485 5.206 ( 0.803 -0.000 0.000) 0.803 5.300 ( 4.425 -0.000 0.000) 4.425 5.565 ( -2.384 0.000 0.000) 2.384 5.583 ( -5.364 0.000 0.000) 5.364 5.798 ( -2.796 0.000 0.000) 2.796 5.846 ( -2.445 0.000 0.000) 2.445 5.930 ( -1.859 0.000 0.000) 1.859 5.936 ( -1.966 0.000 0.000) 1.966 5.961 ( -0.182 0.000 0.000) 0.182 5.992 ( -2.581 0.000 0.000) 2.581 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.729 -0.040 0.000) 9.729 1.703 ( -0.351 0.417 0.000) 0.545 1.755 ( 1.166 -0.276 0.000) 1.198 1.756 ( 0.541 0.267 0.000) 0.603 1.768 ( 2.432 0.294 0.000) 2.450 1.852 ( -0.735 -0.827 0.000) 1.106 1.868 ( 4.457 1.444 0.000) 4.685 1.987 ( 5.591 -0.108 0.000) 5.592 2.009 ( 3.919 1.984 0.000) 4.393 2.038 ( 1.631 -2.512 0.000) 2.995 2.288 ( -4.202 4.887 0.000) 6.445 2.298 ( -5.652 1.040 0.000) 5.747 2.326 ( -2.708 7.997 0.000) 8.443 2.386 ( 5.547 0.870 0.000) 5.614 2.455 ( -2.614 -9.337 0.000) 9.696 2.553 ( -0.046 -0.514 0.000) 0.516 2.742 ( 5.996 -2.467 0.000) 6.483 2.920 ( -4.940 -0.901 0.000) 5.022 2.942 ( 1.327 -0.092 0.000) 1.330 3.023 ( -0.757 0.219 0.000) 0.788 3.033 ( 2.350 0.041 0.000) 2.351 3.123 ( 3.829 -0.277 0.000) 3.839 3.144 ( -2.742 0.637 0.000) 2.815 3.164 ( 0.004 0.955 0.000) 0.955 3.304 ( 14.117 -2.107 0.000) 14.273 3.532 ( 6.671 -0.980 0.000) 6.742 4.174 ( 0.260 0.064 0.000) 0.268 4.237 ( -0.502 -0.052 0.000) 0.505 4.291 ( 3.476 -0.304 0.000) 3.489 4.321 ( 2.813 0.156 0.000) 2.817 4.429 ( -1.341 0.427 0.000) 1.407 4.630 ( 0.507 -0.133 0.000) 0.524 4.670 ( 3.474 -0.149 0.000) 3.477 4.730 ( -2.062 3.648 0.000) 4.191 4.787 ( -0.219 -3.363 0.000) 3.370 4.797 ( 0.651 -0.136 0.000) 0.665 4.888 ( -1.121 0.178 0.000) 1.135 5.097 ( 4.014 -0.279 0.000) 4.024 5.188 ( -3.421 0.964 0.000) 3.555 5.398 ( 5.739 0.155 0.000) 5.741 5.463 ( -7.066 0.505 0.000) 7.084 5.536 ( -0.057 0.334 0.000) 0.338 5.749 ( -2.060 1.035 0.000) 2.305 5.786 ( -3.370 -0.659 0.000) 3.434 5.892 ( -2.720 0.111 0.000) 2.723 5.896 ( -1.588 0.432 0.000) 1.645 5.927 ( -4.209 -0.014 0.000) 4.209 5.941 ( -1.687 -0.049 0.000) 1.688 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 2.774 2.278 0.000) 3.589 1.709 ( 2.184 -1.599 0.000) 2.707 1.747 ( -1.886 -0.310 0.000) 1.911 1.754 ( -0.023 -0.162 0.000) 0.163 1.790 ( 0.931 0.463 0.000) 1.040 1.829 ( -0.839 -0.920 0.000) 1.245 1.893 ( -0.992 5.680 0.000) 5.766 2.030 ( -4.837 3.828 0.000) 6.168 2.090 ( 3.727 -0.444 0.000) 3.753 2.092 ( 2.420 0.305 0.000) 2.439 2.125 ( -0.340 0.269 0.000) 0.434 2.220 ( -2.821 0.896 0.000) 2.960 2.249 ( -3.686 0.714 0.000) 3.755 2.378 ( -5.910 -5.252 0.000) 7.907 2.538 ( 3.811 -5.146 0.000) 6.403 2.549 ( -0.167 -0.313 0.000) 0.355 2.829 ( -1.917 0.053 0.000) 1.918 2.879 ( 0.501 -3.035 0.000) 3.076 2.964 ( 1.018 -0.145 0.000) 1.028 3.003 ( -1.054 0.340 0.000) 1.107 3.058 ( 4.506 3.802 0.000) 5.896 3.123 ( 1.634 2.604 0.000) 3.074 3.162 ( 0.132 -0.945 0.000) 0.954 3.172 ( 1.464 -0.433 0.000) 1.527 3.514 ( 6.674 3.059 0.000) 7.342 3.661 ( 5.276 -4.803 0.000) 7.135 4.186 ( 1.000 0.558 0.000) 1.145 4.238 ( 0.423 0.187 0.000) 0.463 4.335 ( 0.696 0.489 0.000) 0.850 4.353 ( 0.629 0.468 0.000) 0.784 4.423 ( 0.600 -1.504 0.000) 1.620 4.642 ( -5.063 2.495 0.000) 5.645 4.643 ( 0.311 -1.307 0.000) 1.343 4.759 ( 4.178 0.451 0.000) 4.203 4.784 ( -0.166 -2.150 0.000) 2.157 4.846 ( 4.301 0.035 0.000) 4.302 4.863 ( -1.225 0.036 0.000) 1.226 5.064 ( -8.137 1.544 0.000) 8.283 5.178 ( 4.265 -0.318 0.000) 4.277 5.326 ( -6.625 0.532 0.000) 6.646 5.501 ( 4.769 0.227 0.000) 4.775 5.545 ( -0.205 -0.162 0.000) 0.261 5.709 ( -1.362 1.165 0.000) 1.792 5.741 ( -1.607 -0.923 0.000) 1.853 5.844 ( -1.818 0.249 0.000) 1.835 5.848 ( -3.280 -0.045 0.000) 3.280 5.867 ( -1.197 0.211 0.000) 1.215 5.911 ( -1.207 0.102 0.000) 1.212 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -3.225 1.003 0.000) 3.378 1.701 ( -3.594 -1.245 0.000) 3.803 1.735 ( -0.728 -0.575 0.000) 0.928 1.751 ( -6.455 3.194 0.000) 7.202 1.762 ( -0.719 0.754 0.000) 1.042 1.824 ( 3.122 1.925 0.000) 3.668 1.871 ( 4.781 -0.168 0.000) 4.784 1.932 ( -5.162 -2.958 0.000) 5.949 2.091 ( -1.666 1.398 0.000) 2.175 2.116 ( -2.096 -0.077 0.000) 2.097 2.151 ( -3.811 -0.915 0.000) 3.919 2.162 ( -3.134 -0.419 0.000) 3.161 2.208 ( 1.319 -0.575 0.000) 1.439 2.309 ( -1.689 -3.388 0.000) 3.785 2.562 ( 1.510 0.054 0.000) 1.511 2.584 ( -1.298 -5.131 0.000) 5.292 2.802 ( -2.893 0.835 0.000) 3.011 2.857 ( -0.147 -4.716 0.000) 4.718 2.977 ( -0.579 0.327 0.000) 0.665 2.986 ( 0.299 -0.244 0.000) 0.386 3.153 ( 2.737 3.096 0.000) 4.132 3.177 ( 2.298 1.089 0.000) 2.543 3.189 ( 0.075 0.033 0.000) 0.082 3.191 ( 8.486 5.203 0.000) 9.954 3.537 ( -0.838 5.275 0.000) 5.341 3.730 ( -1.793 -3.624 0.000) 4.043 4.200 ( 0.986 1.452 0.000) 1.755 4.244 ( 0.354 0.470 0.000) 0.588 4.317 ( -1.912 0.102 0.000) 1.915 4.343 ( -1.154 0.451 0.000) 1.239 4.447 ( -0.399 -2.729 0.000) 2.758 4.537 ( -4.067 0.335 0.000) 4.081 4.653 ( -0.003 -1.825 0.000) 1.825 4.735 ( -2.600 -0.443 0.000) 2.638 4.838 ( -1.599 -0.204 0.000) 1.612 4.874 ( 4.727 1.080 0.000) 4.849 4.878 ( -6.275 0.194 0.000) 6.278 4.973 ( 4.557 -0.495 0.000) 4.584 5.213 ( -3.374 1.061 0.000) 3.537 5.273 ( 4.058 -1.384 0.000) 4.288 5.490 ( -5.132 -0.110 0.000) 5.133 5.548 ( -1.047 -0.122 0.000) 1.054 5.687 ( -0.084 0.177 0.000) 0.196 5.747 ( 1.713 -0.449 0.000) 1.771 5.826 ( 1.249 -0.301 0.000) 1.285 5.850 ( -0.642 -0.319 0.000) 0.717 5.851 ( 2.432 0.047 0.000) 2.433 5.905 ( 0.790 -0.059 0.000) 0.792 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -7.518 -0.110 0.000) 7.519 1.618 ( -6.912 -3.716 0.000) 7.848 1.653 ( -2.005 -1.084 0.000) 2.279 1.708 ( -2.224 -1.021 0.000) 2.447 1.776 ( 0.356 -2.636 0.000) 2.660 1.837 ( -5.860 -3.606 0.000) 6.880 1.874 ( 2.017 3.373 0.000) 3.931 1.933 ( -0.144 1.830 0.000) 1.835 2.001 ( -6.161 0.840 0.000) 6.218 2.028 ( -4.416 1.183 0.000) 4.572 2.083 ( -4.410 -1.210 0.000) 4.573 2.154 ( 2.922 -4.297 0.000) 5.196 2.169 ( -5.721 -5.373 0.000) 7.848 2.381 ( 6.684 4.282 0.000) 7.937 2.551 ( -4.181 -1.929 0.000) 4.605 2.597 ( 2.005 0.620 0.000) 2.099 2.783 ( 2.145 -0.429 0.000) 2.188 2.899 ( 0.791 -4.533 0.000) 4.601 2.955 ( -1.235 0.337 0.000) 1.280 3.001 ( 0.694 -0.424 0.000) 0.814 3.141 ( -3.489 2.290 0.000) 4.174 3.152 ( -4.655 0.523 0.000) 4.685 3.216 ( 2.380 1.412 0.000) 2.767 3.300 ( 4.909 6.830 0.000) 8.411 3.457 ( -3.527 4.961 0.000) 6.087 3.624 ( -9.383 0.412 0.000) 9.392 4.203 ( 0.398 1.920 0.000) 1.961 4.252 ( 0.966 0.365 0.000) 1.033 4.289 ( -1.015 -1.346 0.000) 1.686 4.308 ( -2.374 0.557 0.000) 2.439 4.409 ( -2.379 0.741 0.000) 2.492 4.523 ( -0.019 -4.410 0.000) 4.410 4.658 ( -0.315 0.087 0.000) 0.327 4.694 ( -1.549 0.291 0.000) 1.576 4.778 ( -1.006 -1.629 0.000) 1.914 4.838 ( -0.394 -1.649 0.000) 1.696 4.914 ( 0.277 1.584 0.000) 1.608 5.056 ( 1.828 -2.339 0.000) 2.969 5.149 ( -2.748 1.663 0.000) 3.212 5.375 ( 5.043 -2.595 0.000) 5.672 5.378 ( -6.198 -0.409 0.000) 6.212 5.491 ( -3.718 -0.924 0.000) 3.831 5.706 ( 1.538 -0.211 0.000) 1.553 5.797 ( 3.084 -0.215 0.000) 3.091 5.847 ( -0.035 -0.933 0.000) 0.934 5.875 ( 2.927 -0.467 0.000) 2.964 5.919 ( 4.148 -0.365 0.000) 4.164 5.940 ( 2.620 -0.132 0.000) 2.623 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -9.974 1.469 0.000) 10.082 1.473 ( -11.522 -3.708 0.000) 12.104 1.612 ( -4.120 -1.070 0.000) 4.257 1.676 ( -1.638 -1.505 0.000) 2.224 1.759 ( -9.786 0.945 0.000) 9.831 1.772 ( -3.008 -8.903 0.000) 9.397 1.832 ( 1.978 -2.049 0.000) 2.847 1.862 ( -4.877 0.690 0.000) 4.926 1.937 ( -6.601 -6.808 0.000) 9.483 1.991 ( 3.547 2.103 0.000) 4.124 2.006 ( -2.539 3.995 0.000) 4.734 2.074 ( -6.883 -5.738 0.000) 8.961 2.300 ( 8.696 -3.324 0.000) 9.309 2.458 ( 2.984 7.602 0.000) 8.167 2.474 ( -3.774 -0.168 0.000) 3.778 2.616 ( 0.382 1.335 0.000) 1.388 2.862 ( 4.682 -1.275 0.000) 4.853 2.890 ( -7.054 -0.274 0.000) 7.060 2.918 ( -4.152 0.884 0.000) 4.245 2.991 ( -7.924 -0.702 0.000) 7.955 2.996 ( -7.849 -1.654 0.000) 8.022 3.024 ( -0.915 -0.024 0.000) 0.916 3.210 ( -5.957 5.233 0.000) 7.929 3.247 ( -2.703 4.007 0.000) 4.834 3.385 ( -1.727 5.502 0.000) 5.767 3.475 ( -3.254 0.980 0.000) 3.398 4.204 ( -0.245 1.222 0.000) 1.246 4.245 ( -3.751 0.555 0.000) 3.792 4.264 ( -1.382 0.943 0.000) 1.673 4.280 ( 2.015 -0.027 0.000) 2.015 4.426 ( 4.440 -0.797 0.000) 4.511 4.542 ( -0.976 -4.655 0.000) 4.756 4.672 ( 3.073 1.943 0.000) 3.636 4.681 ( 0.337 0.130 0.000) 0.361 4.822 ( 2.718 -1.071 0.000) 2.921 4.857 ( 1.483 -2.754 0.000) 3.128 4.872 ( -3.762 1.747 0.000) 4.148 5.060 ( -2.712 -4.934 0.000) 5.630 5.076 ( -3.965 2.002 0.000) 4.442 5.279 ( -4.216 -0.672 0.000) 4.269 5.450 ( -1.263 -2.270 0.000) 2.598 5.483 ( 4.439 -3.592 0.000) 5.710 5.739 ( 1.623 -0.720 0.000) 1.775 5.853 ( 2.477 0.218 0.000) 2.487 5.857 ( 0.351 -1.319 0.000) 1.364 5.921 ( 1.434 -0.333 0.000) 1.472 5.995 ( 3.002 0.401 0.000) 3.029 5.999 ( 3.954 -0.719 0.000) 4.019 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -11.702 3.910 0.000) 12.338 1.235 ( -14.185 0.312 0.000) 14.188 1.489 ( -8.435 1.278 0.000) 8.531 1.562 ( -9.929 1.274 0.000) 10.011 1.663 ( -0.996 -2.328 0.000) 2.532 1.757 ( -4.710 -6.398 0.000) 7.945 1.793 ( -10.521 -6.042 0.000) 12.132 1.795 ( -2.301 -1.723 0.000) 2.874 1.863 ( 0.273 -3.413 0.000) 3.424 1.956 ( -4.009 5.545 0.000) 6.843 2.047 ( 2.562 0.352 0.000) 2.586 2.063 ( 2.765 -9.793 0.000) 10.176 2.331 ( -10.205 3.532 0.000) 10.799 2.383 ( -11.881 3.227 0.000) 12.312 2.431 ( -1.101 -1.682 0.000) 2.011 2.612 ( 0.600 0.584 0.000) 0.837 2.637 ( -10.963 6.666 0.000) 12.831 2.711 ( -9.622 -0.013 0.000) 9.622 2.877 ( -3.579 1.828 0.000) 4.019 2.929 ( -1.087 -0.536 0.000) 1.212 2.945 ( -4.021 -6.110 0.000) 7.315 3.033 ( 0.630 0.075 0.000) 0.634 3.083 ( 0.850 0.990 0.000) 1.305 3.201 ( -2.280 5.178 0.000) 5.658 3.314 ( -2.735 1.342 0.000) 3.047 3.453 ( 0.879 1.930 0.000) 2.120 4.136 ( -5.731 -0.067 0.000) 5.731 4.168 ( -4.163 0.157 0.000) 4.166 4.271 ( 1.292 1.326 0.000) 1.851 4.316 ( 0.992 -1.086 0.000) 1.471 4.499 ( -1.204 -0.859 0.000) 1.478 4.572 ( 5.090 -0.618 0.000) 5.128 4.692 ( -2.082 0.529 0.000) 2.148 4.718 ( 0.731 3.745 0.000) 3.816 4.762 ( -3.710 -0.190 0.000) 3.715 4.859 ( 1.221 -1.702 0.000) 2.095 4.887 ( -0.061 -1.142 0.000) 1.144 4.995 ( -3.150 1.116 0.000) 3.342 5.093 ( 4.744 -6.565 0.000) 8.100 5.233 ( -1.011 -0.645 0.000) 1.199 5.469 ( 1.416 -3.244 0.000) 3.540 5.579 ( 3.641 -3.631 0.000) 5.143 5.774 ( 1.440 -1.347 0.000) 1.972 5.872 ( 0.431 -1.254 0.000) 1.326 5.881 ( 0.724 0.571 0.000) 0.922 5.928 ( -0.822 -0.387 0.000) 0.909 6.044 ( 2.793 1.568 0.000) 3.203 6.078 ( 4.136 -0.485 0.000) 4.165 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -12.354 7.264 0.000) 14.331 0.950 ( -13.364 7.400 0.000) 15.276 1.292 ( -9.530 6.487 0.000) 11.528 1.396 ( -7.405 -0.412 0.000) 7.417 1.605 ( -9.505 -5.459 0.000) 10.961 1.663 ( -0.487 -2.916 0.000) 2.956 1.678 ( -10.843 0.332 0.000) 10.848 1.775 ( -1.453 -2.591 0.000) 2.971 1.796 ( -9.806 3.824 0.000) 10.526 1.885 ( -4.162 0.946 0.000) 4.268 1.966 ( -13.255 3.640 0.000) 13.746 2.045 ( -5.980 -2.064 0.000) 6.326 2.075 ( -15.273 -1.787 0.000) 15.377 2.212 ( 2.178 -4.698 0.000) 5.178 2.261 ( -10.193 -4.390 0.000) 11.098 2.500 ( -1.989 0.713 0.000) 2.113 2.534 ( -3.611 3.487 0.000) 5.020 2.768 ( 6.430 -1.434 0.000) 6.587 2.822 ( -2.531 -0.910 0.000) 2.690 2.878 ( -3.958 -2.914 0.000) 4.915 2.925 ( 0.396 -1.027 0.000) 1.101 3.043 ( 0.818 1.119 0.000) 1.386 3.048 ( -6.415 4.493 0.000) 7.832 3.168 ( 2.656 2.024 0.000) 3.339 3.299 ( 0.283 -3.575 0.000) 3.586 3.488 ( 3.716 1.977 0.000) 4.209 3.982 ( -12.072 -1.194 0.000) 12.131 4.081 ( -5.800 -1.413 0.000) 5.970 4.253 ( -3.342 -0.638 0.000) 3.402 4.315 ( -2.568 -3.246 0.000) 4.139 4.433 ( -4.047 4.318 0.000) 5.918 4.546 ( -5.162 0.645 0.000) 5.203 4.605 ( -9.420 -0.726 0.000) 9.448 4.675 ( 3.836 1.723 0.000) 4.205 4.826 ( 4.212 -3.521 0.000) 5.490 4.898 ( 1.065 -1.035 0.000) 1.485 4.941 ( 5.057 -1.351 0.000) 5.234 4.958 ( 0.203 0.574 0.000) 0.608 5.231 ( 2.795 0.067 0.000) 2.796 5.278 ( 8.463 -1.911 0.000) 8.676 5.521 ( 2.206 -1.840 0.000) 2.873 5.658 ( 2.775 -3.040 0.000) 4.116 5.805 ( 0.899 -1.489 0.000) 1.739 5.876 ( -0.897 0.484 0.000) 1.020 5.886 ( 0.416 -0.813 0.000) 0.913 5.902 ( -2.124 -1.467 0.000) 2.581 6.082 ( 2.473 3.034 0.000) 3.914 6.165 ( 5.102 0.360 0.000) 5.115 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -10.186 12.209 0.000) 15.900 0.680 ( -6.244 18.372 0.000) 19.404 1.090 ( -6.122 11.032 0.000) 12.616 1.233 ( -24.623 21.727 0.000) 32.838 1.259 ( -6.998 2.760 0.000) 7.523 1.507 ( -6.437 -1.888 0.000) 6.708 1.538 ( -8.717 -3.424 0.000) 9.366 1.680 ( 0.424 -3.857 0.000) 3.881 1.736 ( -9.952 -4.233 0.000) 10.815 1.761 ( -1.513 -2.146 0.000) 2.626 1.828 ( -5.367 -0.006 0.000) 5.367 1.872 ( -10.305 -10.555 0.000) 14.751 1.959 ( -0.681 -3.045 0.000) 3.120 2.215 ( -0.327 -3.960 0.000) 3.974 2.256 ( 0.909 -0.443 0.000) 1.011 2.464 ( -1.243 5.381 0.000) 5.522 2.549 ( 5.225 -4.637 0.000) 6.986 2.761 ( -4.103 -2.546 0.000) 4.829 2.836 ( -4.350 -1.104 0.000) 4.488 2.851 ( 1.779 -0.684 0.000) 1.906 2.904 ( -3.479 3.725 0.000) 5.097 2.960 ( 1.840 -2.085 0.000) 2.781 3.057 ( 1.580 1.545 0.000) 2.210 3.206 ( 2.743 3.236 0.000) 4.242 3.349 ( 1.397 -7.606 0.000) 7.733 3.539 ( 2.209 3.641 0.000) 4.258 3.698 ( -15.836 -0.192 0.000) 15.837 3.936 ( -13.460 -7.175 0.000) 15.253 4.186 ( -3.059 -0.750 0.000) 3.149 4.246 ( -7.417 -5.904 0.000) 9.480 4.344 ( -2.768 1.470 0.000) 3.134 4.450 ( -6.054 -1.404 0.000) 6.215 4.498 ( -0.238 3.223 0.000) 3.231 4.717 ( 1.951 2.778 0.000) 3.394 4.876 ( 0.035 -1.672 0.000) 1.672 4.915 ( 0.503 0.317 0.000) 0.594 5.010 ( 3.675 -1.592 0.000) 4.005 5.042 ( 3.951 -2.224 0.000) 4.534 5.270 ( 1.824 0.348 0.000) 1.857 5.445 ( 7.005 1.800 0.000) 7.233 5.580 ( 5.371 1.556 0.000) 5.591 5.715 ( 1.552 -2.530 0.000) 2.968 5.822 ( 0.040 -1.009 0.000) 1.010 5.842 ( -1.716 0.262 0.000) 1.736 5.874 ( -3.079 -3.649 0.000) 4.775 5.897 ( 0.347 -0.425 0.000) 0.548 6.101 ( 1.491 4.120 0.000) 4.381 6.264 ( 5.512 0.721 0.000) 5.559 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 17.102 0.000) 17.102 0.556 ( 0.000 24.394 0.000) 24.394 0.738 ( 0.000 32.615 0.000) 32.615 0.961 ( 0.000 13.192 0.000) 13.192 1.148 ( 0.000 5.037 0.000) 5.037 1.384 ( 0.000 0.516 0.000) 0.516 1.586 ( -0.000 -10.291 0.000) 10.291 1.600 ( -0.000 -2.570 0.000) 2.570 1.706 ( -0.000 -2.350 0.000) 2.350 1.751 ( -0.000 -1.872 0.000) 1.872 1.790 ( 0.000 0.175 0.000) 0.175 1.855 ( -0.000 -15.807 0.000) 15.807 1.971 ( -0.000 -2.410 0.000) 2.410 2.235 ( -0.000 -3.136 0.000) 3.136 2.254 ( 0.000 4.656 0.000) 4.656 2.422 ( 0.000 6.331 0.000) 6.331 2.706 ( -0.000 -8.997 0.000) 8.997 2.719 ( -0.000 -1.102 0.000) 1.102 2.729 ( -0.000 -1.919 0.000) 1.919 2.869 ( -0.000 -0.637 0.000) 0.637 2.879 ( 0.000 2.163 0.000) 2.163 2.987 ( -0.000 -0.995 0.000) 0.995 3.074 ( 0.000 0.062 0.000) 0.062 3.232 ( 0.000 6.651 0.000) 6.651 3.413 ( -0.000 -8.701 0.000) 8.701 3.512 ( 0.000 1.024 0.000) 1.024 3.519 ( 0.000 0.692 0.000) 0.692 3.709 ( -0.000 -0.671 0.000) 0.671 4.161 ( -0.000 -0.734 0.000) 0.734 4.169 ( -0.000 -1.119 0.000) 1.119 4.317 ( -0.000 -0.197 0.000) 0.197 4.405 ( -0.000 -0.581 0.000) 0.581 4.475 ( 0.000 4.646 0.000) 4.646 4.720 ( 0.000 2.800 0.000) 2.800 4.880 ( -0.000 -0.949 0.000) 0.949 4.915 ( 0.000 0.915 0.000) 0.915 5.060 ( -0.000 -1.992 0.000) 1.992 5.097 ( -0.000 -3.157 0.000) 3.157 5.286 ( 0.000 0.458 0.000) 0.458 5.488 ( 0.000 3.345 0.000) 3.345 5.728 ( -0.000 -3.535 0.000) 3.535 5.743 ( -0.000 -2.417 0.000) 2.417 5.787 ( 0.000 0.256 0.000) 0.256 5.816 ( 0.000 0.232 0.000) 0.232 5.837 ( -0.000 -0.526 0.000) 0.526 5.902 ( -0.000 -0.307 0.000) 0.307 6.092 ( 0.000 4.250 0.000) 4.250 6.338 ( -0.000 -1.194 0.000) 1.194 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.824 -0.000 0.000) 5.824 1.694 ( -0.924 0.000 0.000) 0.924 1.745 ( -2.173 0.000 0.000) 2.173 1.753 ( -0.071 0.000 0.000) 0.071 1.793 ( 0.463 -0.000 0.000) 0.463 1.824 ( 0.172 -0.000 0.000) 0.172 1.923 ( 0.439 -0.000 0.000) 0.439 2.062 ( -3.418 0.000 0.000) 3.418 2.088 ( 3.662 -0.000 0.000) 3.662 2.093 ( 2.212 -0.000 0.000) 2.212 2.132 ( -5.219 0.000 0.000) 5.219 2.225 ( -3.114 0.000 0.000) 3.114 2.260 ( -4.241 0.000 0.000) 4.241 2.318 ( -5.959 0.000 0.000) 5.959 2.519 ( 4.752 -0.000 0.000) 4.752 2.547 ( -0.039 0.000 0.000) 0.039 2.834 ( -2.335 0.000 0.000) 2.335 2.856 ( 0.475 -0.000 0.000) 0.475 2.964 ( 1.038 -0.000 0.000) 1.038 3.005 ( -1.107 0.000 0.000) 1.107 3.080 ( 6.078 -0.000 0.000) 6.078 3.136 ( 1.435 -0.000 0.000) 1.435 3.159 ( -0.025 0.000 0.000) 0.025 3.169 ( 1.602 -0.000 0.000) 1.602 3.538 ( 9.529 -0.000 0.000) 9.529 3.626 ( 3.411 -0.000 0.000) 3.411 4.189 ( 1.176 -0.000 0.000) 1.176 4.239 ( 0.513 -0.000 0.000) 0.513 4.338 ( 1.110 -0.000 0.000) 1.110 4.355 ( 0.657 -0.000 0.000) 0.657 4.415 ( -0.246 0.000 0.000) 0.246 4.635 ( 0.102 -0.000 0.000) 0.102 4.657 ( -5.902 0.000 0.000) 5.902 4.765 ( -1.337 0.000 0.000) 1.337 4.768 ( 6.294 -0.000 0.000) 6.294 4.846 ( 4.245 -0.000 0.000) 4.245 4.864 ( -1.450 0.000 0.000) 1.450 5.073 ( -8.276 0.000 0.000) 8.276 5.176 ( 4.339 -0.000 0.000) 4.339 5.329 ( -6.792 0.000 0.000) 6.792 5.502 ( 4.804 -0.000 0.000) 4.804 5.544 ( -0.346 0.000 0.000) 0.346 5.718 ( -1.786 0.000 0.000) 1.786 5.734 ( -1.309 0.000 0.000) 1.309 5.845 ( -1.647 0.000 0.000) 1.647 5.848 ( -3.535 0.000 0.000) 3.535 5.869 ( -1.345 0.000 0.000) 1.345 5.911 ( -1.221 0.000 0.000) 1.221 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -4.750 0.650 0.000) 4.794 1.690 ( -2.861 -0.685 0.000) 2.942 1.730 ( -0.463 -0.229 0.000) 0.517 1.757 ( 0.176 -0.080 0.000) 0.193 1.803 ( -12.378 3.832 0.000) 12.958 1.844 ( 5.007 1.506 0.000) 5.229 1.865 ( 4.126 -0.853 0.000) 4.213 1.898 ( -4.920 -2.821 0.000) 5.672 2.103 ( -0.521 0.524 0.000) 0.739 2.114 ( -1.016 -0.215 0.000) 1.039 2.145 ( -5.726 -0.175 0.000) 5.729 2.171 ( -5.154 2.107 0.000) 5.568 2.199 ( -3.581 -1.225 0.000) 3.785 2.263 ( 5.922 -3.694 0.000) 6.980 2.558 ( 0.486 -0.420 0.000) 0.642 2.562 ( 1.678 0.006 0.000) 1.678 2.785 ( -5.390 -2.183 0.000) 5.815 2.841 ( 2.005 0.377 0.000) 2.040 2.981 ( 0.008 0.284 0.000) 0.284 2.984 ( -0.360 -0.243 0.000) 0.434 3.167 ( 1.220 -0.692 0.000) 1.402 3.176 ( 2.236 1.083 0.000) 2.484 3.189 ( 0.257 -0.012 0.000) 0.257 3.243 ( 9.239 2.465 0.000) 9.562 3.604 ( -0.192 6.503 0.000) 6.506 3.678 ( -0.718 -5.683 0.000) 5.728 4.213 ( 1.429 0.698 0.000) 1.591 4.247 ( 0.348 0.189 0.000) 0.397 4.320 ( -2.807 0.247 0.000) 2.817 4.348 ( -1.107 0.286 0.000) 1.144 4.422 ( 0.409 -1.457 0.000) 1.513 4.541 ( -5.439 0.252 0.000) 5.445 4.637 ( -0.058 -0.913 0.000) 0.914 4.732 ( -2.058 -0.166 0.000) 2.065 4.837 ( -1.375 -0.072 0.000) 1.376 4.878 ( -6.224 -0.005 0.000) 6.224 4.882 ( 4.953 0.366 0.000) 4.967 4.971 ( 3.165 -0.001 0.000) 3.165 5.223 ( -3.813 0.618 0.000) 3.863 5.261 ( 4.220 -0.735 0.000) 4.283 5.489 ( -5.233 -0.032 0.000) 5.233 5.546 ( -1.171 -0.059 0.000) 1.173 5.689 ( -0.348 0.123 0.000) 0.369 5.743 ( 1.847 -0.217 0.000) 1.860 5.824 ( 1.129 -0.107 0.000) 1.135 5.848 ( -0.852 -0.115 0.000) 0.860 5.851 ( 2.324 0.016 0.000) 2.324 5.905 ( 0.701 -0.018 0.000) 0.701 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -7.186 -0.079 0.000) 7.186 1.589 ( -9.126 -1.735 0.000) 9.289 1.644 ( -2.287 -0.624 0.000) 2.371 1.699 ( -2.385 -0.540 0.000) 2.445 1.742 ( -4.374 -2.832 0.000) 5.211 1.817 ( -2.489 -0.710 0.000) 2.589 1.904 ( 1.232 1.935 0.000) 2.294 1.948 ( -2.035 0.904 0.000) 2.227 2.019 ( -2.396 2.583 0.000) 3.523 2.033 ( -8.160 0.057 0.000) 8.160 2.085 ( -1.440 0.942 0.000) 1.721 2.106 ( 1.805 -4.371 0.000) 4.729 2.120 ( -5.024 -3.221 0.000) 5.968 2.402 ( 5.619 -0.369 0.000) 5.631 2.555 ( -0.317 2.808 0.000) 2.826 2.602 ( 2.224 0.299 0.000) 2.244 2.761 ( 2.101 -3.489 0.000) 4.073 2.871 ( 0.894 -0.665 0.000) 1.114 2.958 ( -1.230 0.230 0.000) 1.251 2.997 ( 0.626 -0.276 0.000) 0.684 3.155 ( -3.618 0.506 0.000) 3.653 3.156 ( -4.487 0.272 0.000) 4.495 3.227 ( 2.752 0.650 0.000) 2.828 3.353 ( 3.054 2.955 0.000) 4.250 3.518 ( -3.608 5.899 0.000) 6.915 3.616 ( -7.741 -1.864 0.000) 7.963 4.226 ( 0.343 2.214 0.000) 2.241 4.254 ( 0.531 0.018 0.000) 0.531 4.273 ( -1.093 -1.710 0.000) 2.030 4.318 ( -1.786 1.026 0.000) 2.060 4.420 ( -1.418 1.243 0.000) 1.885 4.480 ( -1.247 -3.376 0.000) 3.599 4.651 ( 1.049 -1.192 0.000) 1.588 4.696 ( -1.502 0.133 0.000) 1.507 4.766 ( -2.939 -0.421 0.000) 2.969 4.823 ( -0.696 -1.122 0.000) 1.321 4.927 ( 0.142 0.790 0.000) 0.803 5.038 ( 1.485 -1.022 0.000) 1.803 5.165 ( -2.331 1.167 0.000) 2.607 5.350 ( 4.498 -1.703 0.000) 4.810 5.374 ( -6.313 -0.216 0.000) 6.317 5.484 ( -4.097 -0.499 0.000) 4.127 5.705 ( 1.403 -0.048 0.000) 1.404 5.795 ( 3.277 -0.154 0.000) 3.281 5.839 ( -0.176 -0.491 0.000) 0.521 5.871 ( 2.976 -0.280 0.000) 2.990 5.916 ( 3.915 -0.228 0.000) 3.921 5.939 ( 2.704 -0.085 0.000) 2.705 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -8.854 1.159 0.000) 8.930 1.446 ( -8.529 -1.280 0.000) 8.624 1.601 ( -3.339 -0.864 0.000) 3.449 1.661 ( -1.929 -1.083 0.000) 2.212 1.670 ( -3.746 -8.569 0.000) 9.352 1.768 ( -10.264 0.552 0.000) 10.279 1.821 ( 1.225 -0.530 0.000) 1.335 1.861 ( -6.213 -0.525 0.000) 6.235 1.877 ( -9.191 -3.927 0.000) 9.994 1.989 ( -8.093 -4.653 0.000) 9.335 2.020 ( 2.507 2.674 0.000) 3.666 2.082 ( 0.106 4.672 0.000) 4.673 2.268 ( 10.011 -2.425 0.000) 10.301 2.458 ( -1.191 -2.254 0.000) 2.549 2.538 ( 1.089 6.477 0.000) 6.567 2.628 ( 0.521 0.750 0.000) 0.913 2.852 ( 4.055 -0.425 0.000) 4.078 2.878 ( -1.095 -1.712 0.000) 2.033 2.928 ( -2.895 0.900 0.000) 3.032 2.984 ( -8.076 -0.614 0.000) 8.099 2.984 ( -13.146 -0.553 0.000) 13.158 3.025 ( -2.151 0.190 0.000) 2.159 3.248 ( -0.610 2.165 0.000) 2.249 3.299 ( -6.025 4.817 0.000) 7.714 3.430 ( -5.535 2.511 0.000) 6.078 3.486 ( -2.237 1.017 0.000) 2.457 4.218 ( -0.992 1.181 0.000) 1.542 4.253 ( -2.652 0.630 0.000) 2.725 4.272 ( -0.130 0.493 0.000) 0.510 4.281 ( 0.451 0.283 0.000) 0.533 4.421 ( 3.859 0.015 0.000) 3.859 4.493 ( -0.248 -4.046 0.000) 4.054 4.681 ( 0.035 -0.024 0.000) 0.042 4.691 ( 3.702 1.377 0.000) 3.950 4.800 ( 4.575 -2.851 0.000) 5.391 4.829 ( 0.660 -1.962 0.000) 2.071 4.888 ( -3.752 1.044 0.000) 3.895 5.019 ( -4.383 -2.605 0.000) 5.099 5.097 ( -4.259 1.701 0.000) 4.586 5.273 ( -4.280 -0.487 0.000) 4.308 5.431 ( -1.508 -1.159 0.000) 1.902 5.447 ( 4.311 -2.811 0.000) 5.146 5.733 ( 1.427 -0.374 0.000) 1.475 5.846 ( 0.419 -0.775 0.000) 0.881 5.855 ( 2.731 0.200 0.000) 2.738 5.918 ( 1.561 -0.212 0.000) 1.575 5.991 ( 3.754 -0.734 0.000) 3.825 5.998 ( 3.368 0.217 0.000) 3.375 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -10.045 3.699 0.000) 10.705 1.263 ( -9.327 4.796 0.000) 10.488 1.501 ( -7.089 0.688 0.000) 7.123 1.573 ( -10.123 0.787 0.000) 10.154 1.641 ( -1.065 -1.554 0.000) 1.883 1.681 ( -2.496 -7.781 0.000) 8.171 1.720 ( -10.672 -6.495 0.000) 12.493 1.768 ( -3.718 -3.027 0.000) 4.794 1.829 ( -1.350 -3.146 0.000) 3.423 1.924 ( -2.291 -8.808 0.000) 9.101 2.054 ( 1.717 0.816 0.000) 1.901 2.061 ( 2.185 7.234 0.000) 7.557 2.354 ( -11.089 0.894 0.000) 11.125 2.414 ( -0.737 -1.402 0.000) 1.584 2.427 ( -12.730 4.701 0.000) 13.570 2.618 ( -0.536 0.424 0.000) 0.683 2.700 ( -8.970 3.661 0.000) 9.688 2.718 ( -9.171 1.214 0.000) 9.251 2.864 ( -4.652 -5.358 0.000) 7.095 2.914 ( -1.134 2.536 0.000) 2.778 2.923 ( -1.067 -0.490 0.000) 1.174 3.034 ( 0.991 0.005 0.000) 0.991 3.107 ( -3.423 3.384 0.000) 4.813 3.250 ( -0.150 3.518 0.000) 3.522 3.318 ( -5.990 -0.535 0.000) 6.014 3.469 ( 0.355 0.909 0.000) 0.975 4.137 ( -6.439 0.214 0.000) 6.443 4.176 ( -4.332 1.265 0.000) 4.513 4.279 ( 0.040 0.206 0.000) 0.210 4.298 ( -0.294 -2.224 0.000) 2.244 4.491 ( 0.350 -0.478 0.000) 0.592 4.563 ( 7.893 -0.814 0.000) 7.935 4.695 ( 0.074 -0.103 0.000) 0.127 4.757 ( 1.107 3.197 0.000) 3.383 4.765 ( -7.644 0.564 0.000) 7.665 4.843 ( -1.038 -1.184 0.000) 1.574 4.876 ( 0.435 -0.819 0.000) 0.928 5.006 ( -3.680 0.965 0.000) 3.804 5.015 ( 6.777 -7.122 0.000) 9.831 5.226 ( -0.946 -0.577 0.000) 1.108 5.444 ( 1.994 -1.436 0.000) 2.457 5.542 ( 4.004 -3.034 0.000) 5.023 5.762 ( 1.305 -0.822 0.000) 1.542 5.861 ( 0.710 -0.761 0.000) 1.041 5.887 ( 0.760 0.476 0.000) 0.897 5.926 ( -0.808 -0.081 0.000) 0.812 6.059 ( 3.406 1.084 0.000) 3.575 6.069 ( 4.221 -0.949 0.000) 4.326 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -9.978 7.273 0.000) 12.347 1.060 ( -6.664 12.507 0.000) 14.172 1.358 ( -6.505 4.875 0.000) 8.129 1.383 ( -8.870 -1.482 0.000) 8.993 1.546 ( -9.317 -4.951 0.000) 10.551 1.636 ( -0.632 -1.933 0.000) 2.033 1.648 ( -5.193 -4.729 0.000) 7.023 1.739 ( -1.947 -3.900 0.000) 4.359 1.814 ( -7.560 -1.993 0.000) 7.818 1.874 ( -2.984 -0.831 0.000) 3.097 2.016 ( -17.692 0.003 0.000) 17.692 2.033 ( -7.693 -0.057 0.000) 7.693 2.082 ( -13.961 5.538 0.000) 15.019 2.171 ( 2.009 -1.596 0.000) 2.565 2.213 ( -11.480 -4.318 0.000) 12.265 2.522 ( -7.177 2.971 0.000) 7.768 2.565 ( -2.751 2.038 0.000) 3.424 2.761 ( 6.782 0.173 0.000) 6.785 2.794 ( -4.638 -3.478 0.000) 5.797 2.864 ( -1.228 0.260 0.000) 1.255 2.915 ( -0.047 -0.818 0.000) 0.820 3.054 ( 1.463 0.951 0.000) 1.744 3.086 ( -3.653 2.112 0.000) 4.219 3.200 ( -0.497 2.861 0.000) 2.904 3.256 ( -1.468 -3.343 0.000) 3.652 3.502 ( 3.596 0.534 0.000) 3.635 3.970 ( -12.256 -1.054 0.000) 12.302 4.067 ( -7.823 -1.104 0.000) 7.900 4.244 ( -3.680 -0.853 0.000) 3.777 4.276 ( -3.928 -3.678 0.000) 5.381 4.478 ( -3.353 3.846 0.000) 5.102 4.552 ( -5.570 0.517 0.000) 5.594 4.601 ( -11.113 -0.116 0.000) 11.114 4.694 ( 4.890 1.624 0.000) 5.153 4.788 ( 4.224 -3.388 0.000) 5.415 4.876 ( 1.708 -2.529 0.000) 3.052 4.948 ( 5.883 2.325 0.000) 6.326 4.963 ( -0.434 0.292 0.000) 0.523 5.227 ( 6.804 -1.633 0.000) 6.997 5.245 ( 5.941 -3.047 0.000) 6.677 5.509 ( 3.950 -0.376 0.000) 3.968 5.627 ( 3.318 -2.527 0.000) 4.171 5.790 ( 0.988 -1.173 0.000) 1.534 5.878 ( 0.709 -0.530 0.000) 0.885 5.881 ( -1.042 0.233 0.000) 1.068 5.893 ( -2.536 -0.217 0.000) 2.545 6.112 ( 3.185 2.484 0.000) 4.039 6.164 ( 5.283 -0.481 0.000) 5.305 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -7.262 11.797 0.000) 13.853 0.897 ( -0.350 20.565 0.000) 20.568 1.203 ( -4.640 8.820 0.000) 9.966 1.276 ( -4.307 0.053 0.000) 4.307 1.431 ( -12.419 6.834 0.000) 14.175 1.466 ( -6.713 3.068 0.000) 7.381 1.538 ( -14.107 0.838 0.000) 14.132 1.635 ( -1.075 -3.926 0.000) 4.070 1.717 ( -11.892 1.528 0.000) 11.989 1.727 ( -1.785 -4.216 0.000) 4.579 1.783 ( -12.998 -5.183 0.000) 13.994 1.815 ( -4.834 -2.429 0.000) 5.410 1.924 ( -0.937 -3.120 0.000) 3.257 2.166 ( -0.610 -4.715 0.000) 4.755 2.217 ( -1.461 -5.692 0.000) 5.876 2.512 ( 6.025 -2.499 0.000) 6.522 2.513 ( -1.011 3.464 0.000) 3.608 2.733 ( -3.339 -2.507 0.000) 4.176 2.837 ( -3.747 0.630 0.000) 3.800 2.848 ( 2.159 0.215 0.000) 2.169 2.940 ( 1.897 -1.567 0.000) 2.461 2.947 ( -5.265 3.544 0.000) 6.346 3.077 ( 1.661 1.986 0.000) 2.589 3.229 ( 2.773 0.021 0.000) 2.773 3.271 ( 0.530 -4.913 0.000) 4.942 3.566 ( 2.220 1.272 0.000) 2.559 3.696 ( -14.892 -0.196 0.000) 14.893 3.864 ( -15.429 -5.800 0.000) 16.483 4.179 ( -2.932 -0.494 0.000) 2.974 4.201 ( -4.973 -2.759 0.000) 5.687 4.354 ( -4.698 0.473 0.000) 4.722 4.439 ( -5.471 -0.756 0.000) 5.523 4.536 ( 1.162 3.423 0.000) 3.615 4.745 ( 2.023 2.054 0.000) 2.883 4.856 ( 1.010 -1.731 0.000) 2.004 4.911 ( 0.830 -1.210 0.000) 1.467 4.993 ( 2.682 -1.486 0.000) 3.066 5.035 ( 3.948 1.335 0.000) 4.167 5.273 ( 1.897 0.197 0.000) 1.907 5.445 ( 7.866 -2.103 0.000) 8.142 5.590 ( 5.115 0.824 0.000) 5.181 5.690 ( 1.885 -1.982 0.000) 2.735 5.809 ( 0.088 -1.260 0.000) 1.263 5.843 ( -2.296 -0.147 0.000) 2.301 5.851 ( -2.197 -0.648 0.000) 2.291 5.892 ( 0.476 -0.335 0.000) 0.582 6.145 ( 1.976 3.915 0.000) 4.385 6.265 ( 4.844 -0.301 0.000) 4.853 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 15.284 0.000) 15.284 0.813 ( 0.000 22.351 0.000) 22.351 1.080 ( 0.000 29.546 0.000) 29.546 1.103 ( 0.000 11.755 0.000) 11.755 1.206 ( 0.000 5.312 0.000) 5.312 1.386 ( -0.000 -0.216 0.000) 0.216 1.490 ( -0.000 -6.775 0.000) 6.775 1.574 ( -0.000 -1.829 0.000) 1.829 1.675 ( -0.000 -14.990 0.000) 14.990 1.679 ( -0.000 -2.497 0.000) 2.497 1.732 ( -0.000 -3.053 0.000) 3.053 1.785 ( -0.000 -1.249 0.000) 1.249 1.938 ( -0.000 -3.377 0.000) 3.377 2.189 ( -0.000 -4.907 0.000) 4.907 2.241 ( -0.000 -7.133 0.000) 7.133 2.484 ( 0.000 4.646 0.000) 4.646 2.663 ( 0.000 0.747 0.000) 0.747 2.702 ( -0.000 -2.077 0.000) 2.077 2.709 ( -0.000 -1.586 0.000) 1.586 2.864 ( -0.000 -0.157 0.000) 0.157 2.905 ( 0.000 2.284 0.000) 2.284 2.972 ( -0.000 -1.474 0.000) 1.474 3.085 ( 0.000 1.796 0.000) 1.796 3.280 ( 0.000 0.717 0.000) 0.717 3.316 ( -0.000 -6.941 0.000) 6.941 3.525 ( 0.000 1.216 0.000) 1.216 3.528 ( 0.000 0.821 0.000) 0.821 3.698 ( -0.000 -1.333 0.000) 1.333 4.153 ( -0.000 -0.602 0.000) 0.602 4.157 ( -0.000 -1.086 0.000) 1.086 4.313 ( -0.000 -0.520 0.000) 0.520 4.396 ( -0.000 -0.970 0.000) 0.970 4.526 ( 0.000 4.500 0.000) 4.500 4.751 ( 0.000 2.652 0.000) 2.652 4.869 ( -0.000 -1.076 0.000) 1.076 4.921 ( -0.000 -0.017 0.000) 0.017 5.036 ( -0.000 -2.368 0.000) 2.368 5.073 ( -0.000 -0.786 0.000) 0.786 5.291 ( 0.000 0.412 0.000) 0.412 5.518 ( 0.000 1.598 0.000) 1.598 5.685 ( -0.000 -3.829 0.000) 3.829 5.718 ( -0.000 -2.007 0.000) 2.007 5.790 ( 0.000 0.310 0.000) 0.310 5.819 ( 0.000 0.278 0.000) 0.278 5.831 ( -0.000 -0.581 0.000) 0.581 5.899 ( -0.000 -0.289 0.000) 0.289 6.141 ( 0.000 4.561 0.000) 4.561 6.325 ( -0.000 -1.188 0.000) 1.188 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -7.077 0.000 0.000) 7.077 1.579 ( -10.288 0.000 0.000) 10.288 1.640 ( -2.375 0.000 0.000) 2.375 1.696 ( -2.462 0.000 0.000) 2.462 1.726 ( -5.496 0.000 0.000) 5.496 1.813 ( -1.539 0.000 0.000) 1.539 1.914 ( 1.089 -0.000 0.000) 1.089 1.953 ( -4.084 0.000 0.000) 4.084 2.034 ( -9.060 0.000 0.000) 9.060 2.049 ( 4.767 -0.000 0.000) 4.767 2.066 ( -3.165 0.000 0.000) 3.165 2.087 ( -5.995 0.000 0.000) 5.995 2.106 ( 0.507 -0.000 0.000) 0.507 2.396 ( 4.574 -0.000 0.000) 4.574 2.580 ( 1.664 -0.000 0.000) 1.664 2.604 ( 2.296 -0.000 0.000) 2.296 2.734 ( 2.317 -0.000 0.000) 2.317 2.871 ( 0.654 -0.000 0.000) 0.654 2.959 ( -1.235 0.000 0.000) 1.235 2.996 ( 0.604 -0.000 0.000) 0.604 3.157 ( -3.396 0.000 0.000) 3.396 3.158 ( -4.395 0.000 0.000) 4.395 3.230 ( 2.742 -0.000 0.000) 2.742 3.369 ( 2.412 -0.000 0.000) 2.412 3.567 ( -5.191 0.000 0.000) 5.191 3.591 ( -5.716 0.000 0.000) 5.716 4.245 ( 1.703 -0.000 0.000) 1.703 4.254 ( 0.304 -0.000 0.000) 0.304 4.256 ( -2.604 0.000 0.000) 2.604 4.324 ( -1.451 0.000 0.000) 1.451 4.431 ( 0.809 -0.000 0.000) 0.809 4.457 ( -3.483 0.000 0.000) 3.483 4.642 ( 1.336 -0.000 0.000) 1.336 4.697 ( -1.495 0.000 0.000) 1.495 4.765 ( -3.592 0.000 0.000) 3.592 4.816 ( -0.761 0.000 0.000) 0.761 4.931 ( 0.087 -0.000 0.000) 0.087 5.032 ( 1.389 -0.000 0.000) 1.389 5.172 ( -2.167 0.000 0.000) 2.167 5.341 ( 4.292 -0.000 0.000) 4.292 5.373 ( -6.357 0.000 0.000) 6.357 5.481 ( -4.208 0.000 0.000) 4.208 5.705 ( 1.346 -0.000 0.000) 1.346 5.794 ( 3.363 -0.000 0.000) 3.363 5.837 ( -0.218 0.000 0.000) 0.218 5.869 ( 2.994 -0.000 0.000) 2.994 5.914 ( 3.820 -0.000 0.000) 3.820 5.938 ( 2.731 -0.000 0.000) 2.731 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -8.119 0.452 0.000) 8.132 1.442 ( -4.725 0.262 0.000) 4.732 1.594 ( -3.007 -0.350 0.000) 3.028 1.599 ( -6.626 -3.824 0.000) 7.651 1.653 ( -2.007 -0.394 0.000) 2.046 1.771 ( -10.633 0.168 0.000) 10.634 1.816 ( -0.074 -0.402 0.000) 0.409 1.852 ( -9.322 -0.890 0.000) 9.364 1.856 ( -6.843 -0.312 0.000) 6.850 1.950 ( -8.844 -2.005 0.000) 9.069 2.042 ( 1.158 1.201 0.000) 1.669 2.125 ( 1.678 2.349 0.000) 2.887 2.249 ( 11.312 -0.964 0.000) 11.353 2.435 ( -0.109 -1.497 0.000) 1.501 2.591 ( -0.388 2.796 0.000) 2.822 2.633 ( 0.577 0.236 0.000) 0.623 2.847 ( 6.724 -0.573 0.000) 6.748 2.863 ( -1.245 -0.580 0.000) 1.373 2.936 ( -1.430 0.416 0.000) 1.489 2.978 ( -8.553 -0.290 0.000) 8.558 2.981 ( -15.115 -0.090 0.000) 15.116 3.027 ( -3.052 0.127 0.000) 3.055 3.264 ( 0.604 0.710 0.000) 0.933 3.338 ( -4.298 1.945 0.000) 4.718 3.444 ( -8.658 0.433 0.000) 8.668 3.496 ( -2.302 0.569 0.000) 2.371 4.228 ( -1.690 0.524 0.000) 1.769 4.257 ( -0.418 0.140 0.000) 0.441 4.275 ( 0.977 0.126 0.000) 0.986 4.286 ( -2.259 0.398 0.000) 2.294 4.427 ( 2.593 0.875 0.000) 2.737 4.457 ( 0.881 -2.390 0.000) 2.547 4.681 ( -0.150 -0.033 0.000) 0.153 4.699 ( 4.600 0.131 0.000) 4.602 4.775 ( 4.493 -1.221 0.000) 4.656 4.814 ( 0.564 -0.727 0.000) 0.921 4.895 ( -3.716 0.343 0.000) 3.732 5.002 ( -5.014 -0.686 0.000) 5.060 5.111 ( -4.498 0.691 0.000) 4.550 5.269 ( -4.330 -0.178 0.000) 4.333 5.423 ( -1.519 -0.346 0.000) 1.558 5.425 ( 4.328 -1.085 0.000) 4.462 5.730 ( 1.320 -0.117 0.000) 1.325 5.840 ( 0.472 -0.254 0.000) 0.536 5.857 ( 2.892 0.084 0.000) 2.894 5.917 ( 1.668 -0.069 0.000) 1.670 5.985 ( 3.574 -0.308 0.000) 3.587 5.999 ( 3.560 0.068 0.000) 3.561 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -8.711 2.388 0.000) 9.033 1.338 ( -4.146 8.744 0.000) 9.677 1.503 ( -7.240 -0.180 0.000) 7.243 1.580 ( -0.599 -10.593 0.000) 10.610 1.582 ( -9.082 0.836 0.000) 9.120 1.629 ( -1.084 -0.684 0.000) 1.282 1.664 ( -10.292 -3.501 0.000) 10.871 1.735 ( -4.981 -2.509 0.000) 5.577 1.790 ( -6.747 -3.480 0.000) 7.592 1.856 ( 0.112 -3.246 0.000) 3.248 2.062 ( 1.050 0.615 0.000) 1.217 2.135 ( 1.741 5.446 0.000) 5.718 2.358 ( -11.581 -0.023 0.000) 11.581 2.401 ( -0.753 -0.817 0.000) 1.111 2.477 ( -11.591 4.186 0.000) 12.324 2.621 ( -1.372 0.204 0.000) 1.387 2.698 ( -10.921 -3.367 0.000) 11.428 2.733 ( -8.570 1.235 0.000) 8.658 2.829 ( -2.153 -0.843 0.000) 2.312 2.918 ( -1.026 -0.349 0.000) 1.084 2.946 ( 1.703 2.533 0.000) 3.053 3.034 ( 1.219 -0.004 0.000) 1.219 3.156 ( -7.547 5.446 0.000) 9.307 3.265 ( -3.011 -1.647 0.000) 3.431 3.311 ( -4.854 0.081 0.000) 4.855 3.474 ( 0.160 0.224 0.000) 0.276 4.140 ( -7.068 0.267 0.000) 7.073 4.195 ( -4.646 2.181 0.000) 5.132 4.270 ( -1.349 -2.791 0.000) 3.100 4.277 ( -1.042 -0.385 0.000) 1.110 4.489 ( 2.174 -0.048 0.000) 2.174 4.556 ( 9.085 -0.547 0.000) 9.101 4.692 ( 0.954 -0.293 0.000) 0.998 4.772 ( -9.341 0.550 0.000) 9.357 4.784 ( 2.198 1.616 0.000) 2.728 4.835 ( -5.868 -0.052 0.000) 5.869 4.870 ( 3.248 -0.137 0.000) 3.251 4.946 ( 8.560 -5.127 0.000) 9.977 5.015 ( -4.188 0.570 0.000) 4.227 5.221 ( -0.846 -0.322 0.000) 0.906 5.434 ( 2.417 -0.474 0.000) 2.463 5.515 ( 4.396 -1.713 0.000) 4.718 5.756 ( 1.204 -0.397 0.000) 1.268 5.855 ( 0.871 -0.358 0.000) 0.942 5.891 ( 0.700 0.258 0.000) 0.746 5.926 ( -0.689 0.064 0.000) 0.692 6.060 ( 4.278 -0.720 0.000) 4.338 6.068 ( 3.819 0.556 0.000) 3.859 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -8.084 5.786 0.000) 9.941 1.214 ( -1.586 15.257 0.000) 15.339 1.346 ( -9.266 -3.199 0.000) 9.803 1.418 ( -6.332 4.255 0.000) 7.629 1.503 ( -8.124 -2.827 0.000) 8.602 1.589 ( -3.499 -5.710 0.000) 6.697 1.620 ( -0.532 -1.074 0.000) 1.199 1.695 ( -2.034 -3.783 0.000) 4.295 1.748 ( -3.459 -9.236 0.000) 9.863 1.866 ( -2.312 -1.159 0.000) 2.586 1.996 ( -20.408 -1.582 0.000) 20.469 2.043 ( -7.094 1.764 0.000) 7.310 2.147 ( -5.217 4.619 0.000) 6.968 2.167 ( -13.798 -3.989 0.000) 14.363 2.188 ( -8.413 3.822 0.000) 9.241 2.546 ( -8.912 0.432 0.000) 8.922 2.579 ( -2.373 0.648 0.000) 2.460 2.770 ( 6.965 1.302 0.000) 7.085 2.775 ( -3.970 1.019 0.000) 4.099 2.874 ( -2.394 1.547 0.000) 2.850 2.906 ( -0.395 -0.690 0.000) 0.795 3.063 ( 2.094 0.687 0.000) 2.204 3.087 ( -4.639 -2.344 0.000) 5.198 3.186 ( -2.486 -3.282 0.000) 4.117 3.270 ( -0.011 4.074 0.000) 4.074 3.502 ( 2.775 -0.500 0.000) 2.819 3.960 ( -12.457 -0.715 0.000) 12.478 4.057 ( -10.267 -0.722 0.000) 10.292 4.236 ( -3.419 -0.722 0.000) 3.494 4.240 ( -3.475 -2.739 0.000) 4.424 4.515 ( -3.826 2.834 0.000) 4.761 4.556 ( -5.253 0.111 0.000) 5.254 4.601 ( -11.835 0.012 0.000) 11.835 4.709 ( 4.742 1.050 0.000) 4.857 4.755 ( 4.969 -2.448 0.000) 5.540 4.851 ( 1.939 -1.902 0.000) 2.716 4.965 ( -0.934 0.113 0.000) 0.941 4.984 ( 7.200 3.899 0.000) 8.188 5.179 ( 11.303 -5.526 0.000) 12.581 5.234 ( 1.772 -0.210 0.000) 1.785 5.509 ( 5.011 0.244 0.000) 5.017 5.604 ( 3.897 -1.609 0.000) 4.216 5.779 ( 0.973 -0.711 0.000) 1.205 5.874 ( 0.870 -0.302 0.000) 0.921 5.882 ( -1.434 0.015 0.000) 1.435 5.894 ( -2.369 0.235 0.000) 2.381 6.135 ( 3.789 1.628 0.000) 4.124 6.157 ( 5.514 -0.600 0.000) 5.547 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -5.340 9.848 0.000) 11.203 1.119 ( 1.605 19.720 0.000) 19.785 1.226 ( -5.302 -4.971 0.000) 7.268 1.303 ( -2.783 5.495 0.000) 6.160 1.412 ( -2.557 -1.627 0.000) 3.031 1.517 ( -11.216 -0.590 0.000) 11.231 1.556 ( -8.938 1.341 0.000) 9.038 1.606 ( -2.896 -1.224 0.000) 3.144 1.680 ( -2.271 -3.801 0.000) 4.428 1.751 ( -12.912 -1.425 0.000) 12.990 1.755 ( -9.403 -1.695 0.000) 9.555 1.797 ( -9.898 4.211 0.000) 10.757 1.895 ( -2.399 -2.013 0.000) 3.132 2.117 ( -0.640 -4.014 0.000) 4.065 2.164 ( -4.862 -2.417 0.000) 5.429 2.489 ( 5.881 -1.756 0.000) 6.137 2.539 ( -1.090 1.355 0.000) 1.739 2.710 ( -2.735 -1.469 0.000) 3.105 2.837 ( -4.282 -1.020 0.000) 4.402 2.857 ( 2.201 1.371 0.000) 2.593 2.926 ( 2.070 -1.204 0.000) 2.395 2.962 ( -6.176 -1.426 0.000) 6.339 3.099 ( 2.151 1.990 0.000) 2.931 3.204 ( 0.852 -1.048 0.000) 1.351 3.269 ( 2.332 2.039 0.000) 3.098 3.566 ( 2.264 -1.221 0.000) 2.572 3.694 ( -14.026 -0.159 0.000) 14.027 3.811 ( -15.463 -3.856 0.000) 15.936 4.175 ( -2.763 -0.265 0.000) 2.776 4.180 ( -3.506 -1.318 0.000) 3.746 4.357 ( -5.943 0.036 0.000) 5.943 4.431 ( -5.806 -0.662 0.000) 5.843 4.569 ( 1.680 2.507 0.000) 3.018 4.756 ( 1.505 -0.153 0.000) 1.513 4.844 ( 2.284 -0.357 0.000) 2.312 4.892 ( 1.174 -1.876 0.000) 2.213 4.979 ( 1.875 -0.983 0.000) 2.117 5.070 ( 4.119 4.637 0.000) 6.202 5.275 ( 2.047 0.102 0.000) 2.050 5.399 ( 7.851 -5.889 0.000) 9.815 5.602 ( 4.848 1.278 0.000) 5.014 5.672 ( 2.290 -1.210 0.000) 2.590 5.797 ( 0.335 -0.796 0.000) 0.863 5.841 ( -2.302 -0.019 0.000) 2.302 5.850 ( -2.004 0.061 0.000) 2.005 5.889 ( 0.547 -0.235 0.000) 0.595 6.184 ( 2.463 3.047 0.000) 3.918 6.260 ( 4.591 -0.466 0.000) 4.614 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 12.867 0.000) 12.867 1.041 ( 0.000 19.206 0.000) 19.206 1.187 ( 0.000 1.904 0.000) 1.904 1.258 ( 0.000 4.037 0.000) 4.037 1.355 ( 0.000 16.258 0.000) 16.258 1.379 ( -0.000 -0.816 0.000) 0.816 1.460 ( 0.000 4.995 0.000) 4.995 1.541 ( -0.000 -7.451 0.000) 7.451 1.562 ( -0.000 -0.414 0.000) 0.414 1.655 ( -0.000 -1.763 0.000) 1.763 1.698 ( -0.000 -3.376 0.000) 3.376 1.760 ( -0.000 -3.518 0.000) 3.518 1.900 ( -0.000 -3.401 0.000) 3.401 2.136 ( -0.000 -4.579 0.000) 4.579 2.138 ( -0.000 -9.258 0.000) 9.258 2.521 ( 0.000 2.155 0.000) 2.155 2.678 ( -0.000 -0.200 0.000) 0.200 2.679 ( -0.000 -1.947 0.000) 1.947 2.692 ( -0.000 -1.490 0.000) 1.490 2.867 ( 0.000 0.643 0.000) 0.643 2.923 ( 0.000 0.721 0.000) 0.721 2.959 ( -0.000 -0.854 0.000) 0.854 3.109 ( 0.000 2.492 0.000) 2.492 3.224 ( -0.000 -4.297 0.000) 4.297 3.312 ( 0.000 0.923 0.000) 0.923 3.536 ( 0.000 0.757 0.000) 0.757 3.538 ( 0.000 1.117 0.000) 1.117 3.676 ( -0.000 -2.850 0.000) 2.850 4.147 ( -0.000 -0.734 0.000) 0.734 4.148 ( -0.000 -0.268 0.000) 0.268 4.305 ( -0.000 -0.785 0.000) 0.785 4.384 ( -0.000 -1.198 0.000) 1.198 4.569 ( 0.000 3.372 0.000) 3.372 4.770 ( 0.000 0.509 0.000) 0.509 4.861 ( -0.000 -0.098 0.000) 0.098 4.913 ( -0.000 -1.461 0.000) 1.461 5.012 ( -0.000 -1.898 0.000) 1.898 5.087 ( 0.000 3.290 0.000) 3.290 5.295 ( 0.000 0.338 0.000) 0.338 5.507 ( -0.000 -4.036 0.000) 4.036 5.658 ( -0.000 -0.714 0.000) 0.714 5.700 ( -0.000 -1.227 0.000) 1.227 5.794 ( 0.000 0.292 0.000) 0.292 5.822 ( 0.000 0.260 0.000) 0.260 5.825 ( -0.000 -0.446 0.000) 0.446 5.896 ( -0.000 -0.237 0.000) 0.237 6.188 ( 0.000 4.009 0.000) 4.009 6.313 ( -0.000 -0.889 0.000) 0.889 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -8.170 0.000 0.000) 8.170 1.429 ( 1.833 -0.000 0.000) 1.833 1.478 ( -3.977 0.000 0.000) 3.977 1.501 ( -7.621 0.000 0.000) 7.621 1.588 ( -8.435 0.000 0.000) 8.435 1.625 ( -0.884 0.000 0.000) 0.884 1.645 ( -10.065 0.000 0.000) 10.065 1.720 ( -5.663 0.000 0.000) 5.663 1.769 ( -9.107 0.000 0.000) 9.107 1.841 ( 0.976 -0.000 0.000) 0.976 2.066 ( 0.818 -0.000 0.000) 0.818 2.167 ( 1.705 -0.000 0.000) 1.705 2.357 ( -11.365 0.000 0.000) 11.365 2.397 ( -0.813 0.000 0.000) 0.813 2.505 ( -10.231 0.000 0.000) 10.231 2.622 ( -1.648 0.000 0.000) 1.648 2.670 ( -13.099 0.000 0.000) 13.099 2.740 ( -8.345 0.000 0.000) 8.345 2.827 ( -1.352 0.000 0.000) 1.352 2.916 ( -0.999 0.000 0.000) 0.999 2.960 ( 3.486 -0.000 0.000) 3.486 3.034 ( 1.295 -0.000 0.000) 1.295 3.212 ( -8.676 0.000 0.000) 8.676 3.228 ( -7.496 0.000 0.000) 7.496 3.315 ( -1.792 0.000 0.000) 1.792 3.475 ( 0.191 -0.000 0.000) 0.191 4.142 ( -7.345 0.000 0.000) 7.345 4.214 ( -5.542 0.000 0.000) 5.542 4.247 ( -1.033 0.000 0.000) 1.033 4.275 ( -1.390 0.000 0.000) 1.390 4.489 ( 2.900 -0.000 0.000) 2.900 4.552 ( 9.396 -0.000 0.000) 9.396 4.690 ( 1.087 -0.000 0.000) 1.087 4.775 ( -9.697 0.000 0.000) 9.697 4.792 ( 3.151 -0.000 0.000) 3.151 4.837 ( -11.010 0.000 0.000) 11.010 4.871 ( 7.159 -0.000 0.000) 7.159 4.914 ( 9.247 -0.000 0.000) 9.247 5.018 ( -4.402 0.000 0.000) 4.402 5.219 ( -0.800 0.000 0.000) 0.800 5.432 ( 2.563 -0.000 0.000) 2.563 5.506 ( 4.567 -0.000 0.000) 4.567 5.753 ( 1.167 -0.000 0.000) 1.167 5.853 ( 0.923 -0.000 0.000) 0.923 5.892 ( 0.654 -0.000 0.000) 0.654 5.927 ( -0.626 0.000 0.000) 0.626 6.055 ( 4.305 -0.000 0.000) 4.305 6.071 ( 3.964 -0.000 0.000) 3.964 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -6.909 2.370 0.000) 7.304 1.318 ( -10.864 -1.613 0.000) 10.983 1.381 ( 0.866 14.499 0.000) 14.525 1.453 ( -5.538 1.853 0.000) 5.840 1.484 ( -6.410 -0.708 0.000) 6.449 1.521 ( -0.698 -7.826 0.000) 7.857 1.610 ( -0.921 -0.648 0.000) 1.126 1.642 ( -4.829 -7.460 0.000) 8.886 1.665 ( -1.471 -1.527 0.000) 2.121 1.854 ( -0.077 -0.636 0.000) 0.641 1.987 ( -23.236 -0.316 0.000) 23.239 2.066 ( -2.702 1.979 0.000) 3.349 2.129 ( -18.872 -2.622 0.000) 19.053 2.183 ( -1.548 1.905 0.000) 2.455 2.225 ( -14.707 2.115 0.000) 14.858 2.534 ( -5.460 -1.427 0.000) 5.643 2.582 ( -2.254 0.083 0.000) 2.255 2.783 ( 7.094 0.747 0.000) 7.134 2.802 ( -2.184 2.212 0.000) 3.109 2.900 ( -3.824 1.297 0.000) 4.038 2.900 ( -3.883 1.327 0.000) 4.103 3.039 ( -8.859 -4.736 0.000) 10.046 3.069 ( 2.507 0.260 0.000) 2.521 3.166 ( 1.184 -0.592 0.000) 1.323 3.307 ( 0.298 1.962 0.000) 1.985 3.495 ( 1.702 -0.467 0.000) 1.764 3.955 ( -12.584 -0.252 0.000) 12.586 4.052 ( -12.078 -0.260 0.000) 12.081 4.219 ( -2.460 -0.997 0.000) 2.654 4.230 ( -3.127 -0.285 0.000) 3.140 4.540 ( -5.183 1.733 0.000) 5.465 4.553 ( -4.142 -0.701 0.000) 4.201 4.601 ( -12.121 0.004 0.000) 12.121 4.716 ( 2.323 0.231 0.000) 2.335 4.737 ( 7.681 -0.771 0.000) 7.720 4.837 ( 2.019 -0.674 0.000) 2.128 4.965 ( -1.203 0.026 0.000) 1.203 5.027 ( 8.621 3.410 0.000) 9.271 5.123 ( 10.564 -4.050 0.000) 11.314 5.233 ( 1.879 -0.057 0.000) 1.880 5.512 ( 5.515 0.153 0.000) 5.517 5.593 ( 4.263 -0.545 0.000) 4.297 5.774 ( 0.962 -0.237 0.000) 0.991 5.872 ( 0.942 -0.099 0.000) 0.947 5.882 ( -1.554 0.006 0.000) 1.554 5.896 ( -2.351 0.114 0.000) 2.354 6.147 ( 4.133 0.568 0.000) 4.171 6.152 ( 5.690 -0.253 0.000) 5.696 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -4.182 6.218 0.000) 7.494 1.160 ( -6.772 -5.673 0.000) 8.834 1.320 ( 0.590 16.627 0.000) 16.638 1.351 ( -3.898 3.030 0.000) 4.937 1.413 ( -0.823 1.742 0.000) 1.926 1.493 ( -6.876 -3.340 0.000) 7.644 1.548 ( -8.149 -2.477 0.000) 8.517 1.597 ( -1.711 -0.896 0.000) 1.931 1.651 ( -1.101 -1.355 0.000) 1.745 1.693 ( -5.441 -6.891 0.000) 8.780 1.744 ( -14.620 -0.014 0.000) 14.620 1.836 ( -7.821 0.700 0.000) 7.852 1.884 ( -9.599 -0.237 0.000) 9.602 2.082 ( -0.339 -2.298 0.000) 2.323 2.182 ( -2.880 4.833 0.000) 5.626 2.473 ( 2.261 -1.162 0.000) 2.543 2.547 ( -1.221 0.232 0.000) 1.242 2.706 ( -3.766 1.012 0.000) 3.900 2.803 ( -7.500 -5.410 0.000) 9.248 2.875 ( 1.588 1.744 0.000) 2.359 2.913 ( 2.722 -1.208 0.000) 2.978 2.933 ( -3.284 -2.349 0.000) 4.037 3.118 ( 2.710 1.336 0.000) 3.022 3.213 ( 2.642 1.508 0.000) 3.042 3.299 ( 1.000 3.218 0.000) 3.370 3.543 ( 2.041 -2.539 0.000) 3.258 3.693 ( -13.426 -0.087 0.000) 13.426 3.780 ( -15.332 -1.894 0.000) 15.449 4.170 ( -2.789 -0.545 0.000) 2.842 4.173 ( -2.568 -0.101 0.000) 2.570 4.356 ( -6.737 -0.044 0.000) 6.737 4.425 ( -6.206 -0.436 0.000) 6.221 4.589 ( 1.749 1.138 0.000) 2.087 4.748 ( 1.112 -0.931 0.000) 1.450 4.846 ( 2.969 0.366 0.000) 2.992 4.875 ( 1.350 -1.137 0.000) 1.765 4.972 ( 1.519 -0.414 0.000) 1.575 5.130 ( 4.745 6.065 0.000) 7.700 5.275 ( 2.145 -0.031 0.000) 2.145 5.326 ( 7.050 -6.928 0.000) 9.884 5.615 ( 4.950 0.877 0.000) 5.027 5.663 ( 2.616 -0.533 0.000) 2.670 5.791 ( 0.596 -0.364 0.000) 0.699 5.843 ( -2.127 0.284 0.000) 2.145 5.850 ( -2.143 -0.137 0.000) 2.147 5.887 ( 0.582 -0.122 0.000) 0.595 6.210 ( 2.822 1.668 0.000) 3.278 6.256 ( 4.555 -0.285 0.000) 4.564 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 9.324 0.000) 9.324 1.140 ( -0.000 -8.217 0.000) 8.217 1.220 ( 0.000 12.469 0.000) 12.469 1.292 ( 0.000 2.110 0.000) 2.110 1.380 ( 0.000 2.210 0.000) 2.210 1.418 ( 0.000 3.462 0.000) 3.462 1.526 ( 0.000 2.910 0.000) 2.910 1.563 ( 0.000 0.493 0.000) 0.493 1.580 ( 0.000 6.744 0.000) 6.744 1.642 ( -0.000 -0.700 0.000) 0.700 1.658 ( -0.000 -3.897 0.000) 3.897 1.707 ( -0.000 -6.189 0.000) 6.189 1.865 ( -0.000 -2.766 0.000) 2.766 2.093 ( -0.000 -3.013 0.000) 3.013 2.095 ( 0.000 3.733 0.000) 3.733 2.534 ( 0.000 0.465 0.000) 0.465 2.627 ( -0.000 -9.302 0.000) 9.302 2.662 ( -0.000 -1.138 0.000) 1.138 2.677 ( -0.000 -1.266 0.000) 1.266 2.876 ( 0.000 0.896 0.000) 0.896 2.920 ( -0.000 -0.782 0.000) 0.782 2.953 ( -0.000 -0.314 0.000) 0.314 3.136 ( 0.000 2.312 0.000) 2.312 3.221 ( 0.000 3.177 0.000) 3.177 3.319 ( 0.000 0.545 0.000) 0.545 3.544 ( 0.000 0.525 0.000) 0.525 3.548 ( 0.000 0.769 0.000) 0.769 3.636 ( -0.000 -4.323 0.000) 4.323 4.141 ( -0.000 -0.321 0.000) 0.321 4.147 ( 0.000 0.016 0.000) 0.016 4.297 ( -0.000 -0.759 0.000) 0.759 4.372 ( -0.000 -1.040 0.000) 1.040 4.598 ( 0.000 1.813 0.000) 1.813 4.765 ( -0.000 -1.121 0.000) 1.121 4.865 ( 0.000 0.603 0.000) 0.603 4.895 ( -0.000 -1.436 0.000) 1.436 4.996 ( -0.000 -0.897 0.000) 0.897 5.140 ( 0.000 6.178 0.000) 6.178 5.298 ( 0.000 0.172 0.000) 0.172 5.439 ( -0.000 -7.700 0.000) 7.700 5.663 ( 0.000 0.943 0.000) 0.943 5.691 ( -0.000 -0.554 0.000) 0.554 5.796 ( 0.000 0.207 0.000) 0.207 5.822 ( -0.000 -0.224 0.000) 0.224 5.825 ( 0.000 0.183 0.000) 0.183 5.894 ( -0.000 -0.155 0.000) 0.155 6.226 ( 0.000 2.744 0.000) 2.744 6.305 ( -0.000 -0.509 0.000) 0.509 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -3.662 0.000 0.000) 3.662 1.125 ( -7.845 0.000 0.000) 7.845 1.367 ( -4.535 0.000 0.000) 4.535 1.436 ( 1.706 -0.000 0.000) 1.706 1.451 ( -10.010 0.000 0.000) 10.010 1.458 ( 1.322 -0.000 0.000) 1.322 1.507 ( -3.829 0.000 0.000) 3.829 1.590 ( -0.703 0.000 0.000) 0.703 1.644 ( -7.750 0.000 0.000) 7.750 1.645 ( -0.653 0.000 0.000) 0.653 1.745 ( -15.464 0.000 0.000) 15.464 1.836 ( -5.288 0.000 0.000) 5.288 1.882 ( -13.426 0.000 0.000) 13.426 2.069 ( -0.118 0.000 0.000) 0.118 2.219 ( 1.428 -0.000 0.000) 1.428 2.466 ( -1.500 0.000 0.000) 1.500 2.548 ( -1.274 0.000 0.000) 1.274 2.734 ( -5.908 0.000 0.000) 5.908 2.743 ( -7.959 0.000 0.000) 7.959 2.889 ( -0.403 0.000 0.000) 0.403 2.902 ( 4.697 -0.000 0.000) 4.697 2.921 ( -1.599 0.000 0.000) 1.599 3.126 ( 2.963 -0.000 0.000) 2.963 3.222 ( 3.479 -0.000 0.000) 3.479 3.322 ( 0.586 -0.000 0.000) 0.586 3.525 ( 1.696 -0.000 0.000) 1.696 3.692 ( -13.213 0.000 0.000) 13.213 3.769 ( -15.264 0.000 0.000) 15.264 4.167 ( -2.562 0.000 0.000) 2.562 4.173 ( -2.477 0.000 0.000) 2.477 4.356 ( -7.031 0.000 0.000) 7.031 4.423 ( -6.370 0.000 0.000) 6.370 4.595 ( 1.717 -0.000 0.000) 1.717 4.742 ( 1.058 -0.000 0.000) 1.058 4.848 ( 3.070 -0.000 0.000) 3.070 4.869 ( 1.400 -0.000 0.000) 1.400 4.969 ( 1.458 -0.000 0.000) 1.458 5.178 ( 5.412 -0.000 0.000) 5.412 5.268 ( 4.077 -0.000 0.000) 4.077 5.280 ( 4.412 -0.000 0.000) 4.412 5.620 ( 5.009 -0.000 0.000) 5.009 5.660 ( 2.739 -0.000 0.000) 2.739 5.789 ( 0.689 -0.000 0.000) 0.689 5.846 ( -1.832 0.000 0.000) 1.832 5.848 ( -2.426 0.000 0.000) 2.426 5.887 ( 0.593 -0.000 0.000) 0.593 6.219 ( 2.954 -0.000 0.000) 2.954 6.255 ( 4.563 -0.000 0.000) 4.563 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 4.071 0.000) 4.071 1.060 ( -0.000 -4.813 0.000) 4.813 1.290 ( 0.000 1.644 0.000) 1.644 1.306 ( 0.000 0.577 0.000) 0.577 1.443 ( 0.000 6.716 0.000) 6.716 1.472 ( 0.000 5.825 0.000) 5.825 1.568 ( 0.000 3.912 0.000) 3.912 1.571 ( -0.000 -5.392 0.000) 5.392 1.574 ( 0.000 1.909 0.000) 1.909 1.615 ( -0.000 -3.752 0.000) 3.752 1.629 ( -0.000 -7.231 0.000) 7.231 1.638 ( -0.000 -0.107 0.000) 0.107 1.845 ( -0.000 -0.875 0.000) 0.875 2.071 ( -0.000 -1.010 0.000) 1.010 2.201 ( 0.000 11.258 0.000) 11.258 2.500 ( -0.000 -11.110 0.000) 11.110 2.536 ( -0.000 -0.013 0.000) 0.013 2.654 ( -0.000 -0.284 0.000) 0.284 2.666 ( -0.000 -0.572 0.000) 0.572 2.884 ( 0.000 0.393 0.000) 0.393 2.914 ( -0.000 -0.293 0.000) 0.293 2.951 ( -0.000 -0.073 0.000) 0.073 3.155 ( 0.000 0.982 0.000) 0.982 3.260 ( 0.000 2.427 0.000) 2.427 3.327 ( 0.000 0.816 0.000) 0.816 3.548 ( 0.000 0.187 0.000) 0.187 3.554 ( 0.000 0.272 0.000) 0.272 3.593 ( -0.000 -2.722 0.000) 2.722 4.139 ( -0.000 -0.068 0.000) 0.068 4.148 ( 0.000 0.057 0.000) 0.057 4.290 ( -0.000 -0.323 0.000) 0.323 4.363 ( -0.000 -0.420 0.000) 0.420 4.610 ( 0.000 0.468 0.000) 0.468 4.754 ( -0.000 -0.562 0.000) 0.562 4.870 ( 0.000 0.226 0.000) 0.226 4.884 ( -0.000 -0.539 0.000) 0.539 4.991 ( -0.000 -0.186 0.000) 0.186 5.212 ( 0.000 5.911 0.000) 5.911 5.297 ( -0.000 -0.483 0.000) 0.483 5.356 ( -0.000 -5.997 0.000) 5.997 5.671 ( 0.000 0.444 0.000) 0.444 5.687 ( -0.000 -0.143 0.000) 0.143 5.798 ( 0.000 0.074 0.000) 0.074 5.820 ( -0.000 -0.055 0.000) 0.055 5.826 ( 0.000 0.066 0.000) 0.066 5.893 ( -0.000 -0.054 0.000) 0.054 6.246 ( 0.000 0.976 0.000) 0.976 6.302 ( -0.000 -0.161 0.000) 0.161 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 0.000 0.000 15.503) 15.503 0.352 ( 0.000 0.000 19.526) 19.526 0.648 ( 0.000 0.000 30.140) 30.140 0.764 ( 0.000 0.000 -2.590) 2.590 0.948 ( 0.000 0.000 -12.924) 12.924 1.452 ( 0.000 0.000 6.204) 6.204 1.614 ( 0.000 0.000 -2.513) 2.513 1.744 ( 0.000 0.000 0.881) 0.881 1.748 ( 0.000 0.000 -22.109) 22.109 1.775 ( 0.000 0.000 -0.606) 0.606 1.786 ( 0.000 0.000 1.430) 1.430 1.799 ( 0.000 0.000 1.964) 1.964 2.050 ( 0.000 0.000 2.592) 2.592 2.227 ( 0.000 0.000 0.603) 0.603 2.340 ( 0.000 0.000 -0.504) 0.504 2.348 ( 0.000 0.000 9.359) 9.359 2.676 ( 0.000 0.000 -11.423) 11.423 2.734 ( 0.000 0.000 0.344) 0.344 2.749 ( 0.000 0.000 -0.333) 0.333 2.757 ( 0.000 0.000 -9.356) 9.356 2.984 ( 0.000 0.000 -0.677) 0.677 3.052 ( 0.000 0.000 -1.566) 1.566 3.164 ( 0.000 0.000 11.176) 11.176 3.272 ( 0.000 0.000 8.273) 8.273 3.442 ( 0.000 0.000 -0.384) 0.384 3.482 ( 0.000 0.000 -4.108) 4.108 3.502 ( 0.000 0.000 0.167) 0.167 3.509 ( 0.000 0.000 -0.178) 0.178 4.171 ( 0.000 0.000 0.041) 0.041 4.179 ( 0.000 0.000 -0.400) 0.400 4.334 ( 0.000 0.000 1.664) 1.664 4.399 ( 0.000 0.000 -1.300) 1.300 4.526 ( 0.000 0.000 3.143) 3.143 4.622 ( 0.000 0.000 -1.088) 1.088 4.701 ( 0.000 0.000 1.862) 1.862 4.867 ( 0.000 0.000 -6.591) 6.591 5.128 ( 0.000 0.000 2.652) 2.652 5.149 ( 0.000 0.000 0.114) 0.114 5.292 ( 0.000 0.000 2.038) 2.038 5.415 ( 0.000 0.000 -2.675) 2.675 5.788 ( 0.000 0.000 0.469) 0.469 5.809 ( 0.000 0.000 -0.469) 0.469 5.812 ( 0.000 0.000 3.267) 3.267 5.844 ( 0.000 0.000 0.114) 0.114 5.892 ( 0.000 0.000 -1.210) 1.210 5.953 ( 0.000 0.000 -2.254) 2.254 6.225 ( 0.000 0.000 2.182) 2.182 6.304 ( 0.000 0.000 -1.482) 1.482 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 20.155 -1.105 7.428) 21.509 0.618 ( 12.970 -3.448 17.162) 21.787 0.846 ( 12.584 -3.828 -4.631) 13.944 0.980 ( 26.961 -6.964 17.735) 33.014 1.102 ( 12.399 -1.953 -10.071) 16.092 1.523 ( 5.505 0.381 2.864) 6.217 1.624 ( 3.326 3.907 -2.644) 5.772 1.748 ( 1.722 1.112 -1.069) 2.312 1.765 ( 2.434 -2.480 -3.424) 4.878 1.808 ( 6.213 5.084 -4.478) 9.193 1.860 ( 6.814 1.661 0.317) 7.021 1.939 ( 9.240 -5.975 -3.649) 11.593 2.047 ( 0.247 -0.931 0.763) 1.229 2.188 ( -1.110 3.689 3.782) 5.399 2.312 ( 1.276 4.956 0.943) 5.204 2.370 ( 0.240 -4.615 3.626) 5.874 2.635 ( -4.742 2.560 -4.583) 7.074 2.678 ( -1.050 -1.561 -9.636) 9.818 2.741 ( -1.637 0.116 -3.777) 4.118 2.787 ( 3.245 0.368 -1.538) 3.610 3.014 ( 2.784 0.930 0.602) 2.996 3.029 ( -1.644 1.266 -0.674) 2.182 3.134 ( -1.871 1.266 10.875) 11.107 3.231 ( 0.443 -1.956 8.917) 9.140 3.423 ( -2.615 0.867 -2.395) 3.651 3.443 ( -3.061 -1.877 -2.417) 4.328 3.717 ( 17.751 0.099 1.947) 17.857 3.942 ( 15.321 1.546 -11.229) 19.058 4.207 ( 4.128 0.588 0.324) 4.182 4.291 ( 6.288 1.357 -5.803) 8.664 4.328 ( 3.421 0.768 -1.616) 3.861 4.387 ( -0.294 -1.920 -1.952) 2.754 4.587 ( 5.762 4.203 0.380) 7.142 4.657 ( 2.006 -5.916 -3.731) 7.276 4.691 ( -1.050 -1.072 1.995) 2.496 4.861 ( -0.626 -0.366 -6.482) 6.522 5.078 ( -4.412 1.870 2.820) 5.560 5.110 ( -3.702 1.082 0.072) 3.858 5.276 ( -1.541 -0.272 2.041) 2.572 5.391 ( -3.099 -0.676 -2.086) 3.797 5.693 ( -5.690 0.411 8.416) 10.167 5.779 ( -1.731 0.591 0.938) 2.056 5.841 ( -0.413 0.147 0.595) 0.739 5.845 ( 1.943 0.021 1.558) 2.491 5.890 ( -0.113 0.159 -1.487) 1.500 5.967 ( 0.786 0.818 -3.048) 3.253 6.132 ( -6.227 4.556 5.441) 9.441 6.195 ( -5.946 -3.985 0.578) 7.181 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 12.472 -2.744 11.586) 17.243 0.934 ( 20.777 1.044 2.948) 21.011 1.135 ( 15.565 -3.249 -3.301) 16.239 1.326 ( 9.455 -1.834 -7.192) 12.021 1.557 ( 21.069 -3.413 2.607) 21.503 1.599 ( 4.631 -0.125 -1.582) 4.895 1.723 ( 9.395 -0.026 2.298) 9.672 1.792 ( 5.515 2.113 1.506) 6.095 1.831 ( 4.781 -0.888 0.736) 4.918 1.946 ( 2.116 0.039 9.245) 9.484 1.996 ( 7.200 0.876 -0.304) 7.260 2.065 ( 6.934 2.227 -3.128) 7.926 2.137 ( 5.446 -0.482 -5.595) 7.823 2.234 ( 8.078 -0.440 1.765) 8.280 2.355 ( 6.247 4.127 -1.043) 7.559 2.425 ( 5.342 -0.924 -1.279) 5.570 2.545 ( -2.784 -0.265 0.893) 2.936 2.676 ( 0.125 0.551 -9.203) 9.221 2.713 ( -1.139 0.016 -5.994) 6.101 2.824 ( -0.157 0.156 -6.628) 6.631 2.988 ( 0.164 2.060 4.145) 4.631 3.067 ( 1.607 -0.449 0.494) 1.740 3.106 ( -0.026 0.428 8.429) 8.440 3.257 ( 0.630 -0.717 8.140) 8.196 3.320 ( -5.679 1.177 -3.208) 6.628 3.422 ( -1.557 -2.646 -0.829) 3.180 4.016 ( 11.264 0.672 1.282) 11.357 4.092 ( 5.190 0.906 -1.974) 5.626 4.266 ( -0.707 -0.025 1.158) 1.357 4.323 ( 0.583 -0.161 -1.745) 1.846 4.386 ( 7.937 -1.542 2.127) 8.361 4.509 ( 6.325 -0.544 -3.146) 7.085 4.635 ( 1.036 0.759 0.070) 1.286 4.658 ( -1.572 -0.933 0.643) 1.938 4.770 ( 5.589 -0.687 -7.040) 9.015 4.846 ( -1.259 0.081 -5.042) 5.198 4.965 ( -5.580 1.716 2.419) 6.319 5.011 ( -5.554 1.351 -0.164) 5.718 5.249 ( -1.167 -0.355 1.831) 2.200 5.311 ( -4.803 -0.514 1.224) 4.983 5.631 ( -1.144 2.660 5.598) 6.303 5.732 ( -2.703 1.576 0.874) 3.248 5.836 ( 0.261 0.674 0.660) 0.979 5.873 ( 0.548 0.007 0.692) 0.883 5.892 ( 0.747 0.888 -1.445) 1.853 5.961 ( -0.369 2.011 -2.105) 2.935 6.037 ( -3.156 -0.132 2.228) 3.865 6.110 ( -4.673 -2.769 -1.160) 5.554 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 11.954 -1.809 5.650) 13.345 1.282 ( 16.463 3.144 -1.321) 16.812 1.437 ( 14.200 -0.856 -1.998) 14.365 1.500 ( 9.076 -1.935 -4.089) 10.141 1.669 ( 3.936 -1.511 -2.040) 4.683 1.709 ( 2.623 -0.187 -2.432) 3.582 1.858 ( 5.388 3.234 2.089) 6.622 1.915 ( -1.090 1.351 3.794) 4.172 1.942 ( 6.327 2.556 -0.575) 6.848 2.019 ( 3.514 3.942 4.608) 7.009 2.075 ( -0.218 -0.929 2.156) 2.358 2.153 ( 8.721 -3.108 0.707) 9.285 2.330 ( 6.384 -2.669 4.481) 8.244 2.339 ( 7.172 3.706 -0.408) 8.084 2.462 ( 4.221 0.938 -1.819) 4.691 2.545 ( 1.628 0.643 -3.429) 3.850 2.601 ( 8.980 -0.177 1.661) 9.134 2.687 ( 4.015 1.465 -5.379) 6.870 2.731 ( 5.820 -0.306 -6.462) 8.702 2.820 ( 1.110 -0.902 -9.404) 9.512 3.021 ( 3.312 0.328 2.542) 4.187 3.058 ( -1.173 0.472 1.490) 1.954 3.143 ( 2.092 -2.384 2.390) 3.971 3.198 ( -4.812 -2.474 2.186) 5.835 3.285 ( 0.041 -0.189 5.340) 5.343 3.413 ( -0.260 -1.185 0.223) 1.234 4.149 ( 4.708 0.531 0.501) 4.764 4.173 ( 4.087 0.695 -0.620) 4.191 4.241 ( -2.014 -1.858 1.302) 3.034 4.302 ( -2.106 -1.016 -1.454) 2.753 4.534 ( -1.147 0.039 1.632) 1.995 4.584 ( 5.886 -0.660 1.456) 6.099 4.625 ( -2.033 -1.224 -1.665) 2.899 4.683 ( 3.494 0.203 -0.396) 3.522 4.803 ( -1.227 0.395 2.061) 2.431 4.867 ( 2.036 0.546 -3.896) 4.430 4.890 ( -1.203 0.830 -1.608) 2.173 4.912 ( -2.215 0.157 -2.746) 3.531 5.243 ( -0.412 0.789 3.126) 3.251 5.254 ( 0.296 0.053 1.668) 1.694 5.584 ( -1.916 4.540 2.189) 5.392 5.659 ( -3.791 2.726 0.302) 4.679 5.823 ( -1.261 2.399 0.714) 2.802 5.875 ( -0.092 -0.280 0.509) 0.588 5.894 ( -0.062 1.937 -1.319) 2.345 5.948 ( -0.200 0.762 -0.862) 1.168 5.996 ( -2.123 -1.770 0.154) 2.768 6.049 ( -3.285 -1.647 -1.497) 3.968 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 10.362 -0.873 1.650) 10.529 1.494 ( 7.931 2.521 -6.661) 10.660 1.648 ( 8.896 1.346 0.710) 9.025 1.709 ( 9.303 -0.622 -2.054) 9.548 1.749 ( 4.343 0.093 1.907) 4.744 1.780 ( 4.930 -2.730 -1.336) 5.791 1.854 ( -2.666 0.594 2.042) 3.410 1.919 ( -0.556 1.688 -1.648) 2.424 1.995 ( 0.746 -1.314 3.754) 4.047 2.019 ( 2.542 5.760 2.252) 6.686 2.143 ( 5.001 6.534 1.665) 8.395 2.220 ( 3.945 2.257 -2.850) 5.364 2.307 ( -3.778 6.588 0.662) 7.623 2.422 ( -2.842 1.195 0.672) 3.155 2.477 ( 2.150 -1.648 6.243) 6.805 2.561 ( 1.196 -1.635 -0.784) 2.172 2.733 ( 2.294 1.683 -11.503) 11.850 2.810 ( 0.609 1.301 -9.286) 9.396 2.848 ( 7.644 -5.036 2.408) 9.466 2.946 ( 7.921 -1.918 -2.863) 8.638 3.086 ( 4.384 -4.131 1.695) 6.257 3.103 ( 5.760 -1.513 2.597) 6.497 3.157 ( -0.325 -2.609 3.432) 4.323 3.199 ( 2.047 -3.028 0.341) 3.671 3.279 ( -0.679 -1.096 5.973) 6.111 3.436 ( 2.555 -0.846 -1.029) 2.882 4.197 ( -0.405 -0.499 1.293) 1.444 4.239 ( 2.428 -0.051 -0.464) 2.472 4.243 ( 2.701 -0.726 0.306) 2.814 4.269 ( -0.798 -0.693 -0.720) 1.279 4.469 ( -3.400 1.062 1.963) 4.067 4.587 ( -1.833 -0.375 -3.773) 4.212 4.652 ( 1.963 2.738 1.978) 3.907 4.702 ( -0.081 0.991 0.897) 1.339 4.817 ( -1.641 0.224 -0.270) 1.678 4.834 ( 0.319 -1.583 -0.285) 1.640 4.884 ( 1.076 -0.367 -0.158) 1.147 4.975 ( 3.744 -1.333 -4.345) 5.889 5.243 ( 1.246 2.038 5.212) 5.733 5.300 ( 3.983 0.520 0.612) 4.063 5.522 ( -1.580 3.931 0.396) 4.255 5.560 ( -4.872 3.137 0.047) 5.794 5.777 ( -1.990 1.663 1.414) 2.953 5.858 ( -1.990 -0.075 1.066) 2.259 5.871 ( -0.934 2.027 -2.307) 3.210 5.932 ( -1.429 0.321 -0.298) 1.495 5.965 ( -2.271 -0.940 -1.136) 2.708 5.994 ( -3.392 -0.441 -1.125) 3.601 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 7.761 -0.112 -0.851) 7.809 1.591 ( 4.075 0.740 -5.497) 6.883 1.742 ( 2.447 1.448 1.081) 3.042 1.782 ( -0.494 -1.413 -0.511) 1.582 1.802 ( -1.928 0.337 2.288) 3.011 1.829 ( 2.482 3.299 2.597) 4.878 1.877 ( -0.991 -1.381 -1.278) 2.127 1.921 ( 5.730 2.754 -3.753) 7.383 2.008 ( 1.631 1.639 2.593) 3.474 2.051 ( 2.725 1.692 1.430) 3.512 2.143 ( -0.086 2.570 0.763) 2.682 2.213 ( -1.087 5.295 -2.040) 5.778 2.303 ( 1.791 3.405 2.516) 4.597 2.373 ( 1.813 1.570 4.556) 5.148 2.544 ( 2.398 -2.169 -1.201) 3.449 2.598 ( 3.432 -0.494 1.035) 3.618 2.730 ( 0.630 4.471 -6.975) 8.309 2.814 ( 0.379 -0.031 -10.678) 10.685 2.909 ( -1.502 -5.075 0.576) 5.324 3.010 ( -2.147 -5.449 -2.347) 6.309 3.123 ( -2.574 -3.159 1.157) 4.236 3.144 ( -2.225 -1.675 -0.026) 2.785 3.217 ( 1.998 0.249 8.201) 8.445 3.272 ( 1.309 -0.590 7.648) 7.781 3.374 ( 9.257 -3.384 0.168) 9.857 3.547 ( 8.468 -2.598 -3.828) 9.649 4.189 ( -0.261 -0.584 1.342) 1.487 4.234 ( -0.726 -0.459 -0.751) 1.141 4.304 ( 2.468 -0.110 0.160) 2.476 4.310 ( 2.577 0.462 -0.155) 2.623 4.433 ( 0.778 0.638 2.533) 2.726 4.580 ( 1.018 -0.335 -4.733) 4.852 4.645 ( -0.175 4.543 1.956) 4.949 4.710 ( 1.542 0.476 0.769) 1.788 4.795 ( 0.119 0.392 -0.417) 0.585 4.830 ( -0.746 -0.071 -2.270) 2.390 4.907 ( -0.433 -2.263 2.625) 3.493 5.026 ( 0.300 -1.026 -4.424) 4.551 5.242 ( -0.029 2.505 6.635) 7.092 5.382 ( 3.381 1.182 -1.015) 3.722 5.451 ( -3.537 1.985 1.739) 4.413 5.507 ( 1.636 1.256 -1.079) 2.328 5.735 ( -1.702 1.070 1.818) 2.711 5.809 ( -2.859 -0.144 1.339) 3.160 5.844 ( -0.929 1.411 -2.933) 3.385 5.888 ( -2.844 0.460 -0.086) 2.882 5.914 ( -3.479 -0.228 -1.618) 3.843 5.928 ( -3.124 0.230 -0.925) 3.266 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 2.327 0.052 -0.887) 2.491 1.661 ( 3.035 0.461 -4.128) 5.144 1.741 ( -0.743 0.370 0.401) 0.922 1.759 ( -1.027 0.011 -0.489) 1.137 1.792 ( 0.796 0.154 1.569) 1.766 1.820 ( -0.254 2.302 3.304) 4.035 1.840 ( -3.035 -0.692 -0.770) 3.207 1.970 ( 1.681 2.308 -2.675) 3.912 2.051 ( 2.761 -0.166 -0.668) 2.846 2.105 ( 1.066 0.630 -1.357) 1.837 2.146 ( -0.867 -0.932 -0.188) 1.287 2.163 ( -0.015 1.178 -1.257) 1.723 2.300 ( 0.171 1.175 6.448) 6.557 2.420 ( 2.026 1.635 6.231) 6.753 2.597 ( 2.267 -1.060 1.531) 2.934 2.646 ( 0.088 -0.834 -5.201) 5.268 2.769 ( 6.633 7.712 -5.718) 11.669 2.818 ( -0.240 -0.426 -8.858) 8.871 2.894 ( -2.934 -5.687 -0.073) 6.400 2.966 ( -3.890 -4.312 -1.712) 6.054 3.062 ( -2.922 0.391 1.746) 3.426 3.109 ( -1.631 -0.901 -1.060) 2.144 3.243 ( 1.292 -0.254 6.733) 6.860 3.270 ( -1.127 0.311 5.621) 5.742 3.509 ( 3.424 -0.810 3.563) 5.008 3.706 ( 4.672 -1.862 -4.462) 6.724 4.192 ( 0.093 -0.270 1.328) 1.358 4.230 ( -0.035 -0.138 -0.571) 0.589 4.327 ( 0.539 0.472 0.412) 0.826 4.340 ( 0.809 0.339 -0.185) 0.896 4.483 ( 2.990 -1.413 2.133) 3.935 4.576 ( -1.671 2.084 -0.148) 2.675 4.641 ( 1.181 0.508 -1.462) 1.947 4.746 ( 2.725 2.053 -2.888) 4.470 4.814 ( -0.725 -1.649 0.368) 1.838 4.845 ( 4.334 -0.158 -0.160) 4.339 4.888 ( -1.589 -1.087 1.790) 2.628 4.976 ( -5.322 0.654 -2.828) 6.062 5.245 ( 1.760 0.440 4.540) 4.889 5.318 ( -4.341 1.369 0.860) 4.632 5.500 ( 4.179 0.192 0.756) 4.252 5.541 ( 0.993 -0.064 -0.826) 1.293 5.706 ( -0.607 0.550 1.915) 2.083 5.763 ( -1.834 -0.023 1.065) 2.121 5.821 ( -0.936 0.488 -2.353) 2.579 5.836 ( -1.668 0.425 -0.363) 1.759 5.855 ( -1.979 -0.179 -0.626) 2.083 5.886 ( -1.167 0.185 -2.105) 2.414 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 13.096 -0.000 12.036) 17.787 0.942 ( 21.388 -0.000 2.241) 21.506 1.116 ( 16.457 -0.000 -3.083) 16.744 1.316 ( 9.767 -0.000 -7.900) 12.562 1.533 ( 26.524 -0.000 6.175) 27.234 1.598 ( 2.596 -0.000 -0.954) 2.766 1.726 ( 7.305 -0.000 0.899) 7.360 1.811 ( 6.258 -0.000 1.128) 6.359 1.821 ( 3.656 -0.000 0.247) 3.664 1.946 ( 2.152 -0.000 9.692) 9.928 2.001 ( 7.243 -0.000 -0.596) 7.267 2.083 ( 1.775 -0.000 -2.340) 2.937 2.128 ( 12.031 -0.000 -9.935) 15.603 2.231 ( 6.598 -0.000 2.700) 7.129 2.385 ( 3.823 -0.000 -1.763) 4.210 2.413 ( 7.442 -0.000 1.264) 7.549 2.544 ( -3.127 0.000 0.313) 3.143 2.678 ( 0.591 -0.000 -9.560) 9.578 2.713 ( -1.219 0.000 -5.518) 5.651 2.825 ( -0.374 0.000 -6.256) 6.267 3.001 ( -0.354 0.000 3.860) 3.876 3.064 ( 1.953 -0.000 1.150) 2.267 3.108 ( -1.066 0.000 8.713) 8.778 3.253 ( 1.249 -0.000 7.381) 7.486 3.327 ( -6.744 0.000 -3.286) 7.502 3.406 ( -0.629 0.000 -0.662) 0.913 4.020 ( 11.256 -0.000 1.284) 11.329 4.098 ( 4.965 -0.000 -2.010) 5.356 4.266 ( -2.346 0.000 1.367) 2.716 4.321 ( 1.524 -0.000 -1.509) 2.145 4.379 ( 7.762 -0.000 1.870) 7.984 4.506 ( 6.206 -0.000 -3.407) 7.080 4.640 ( -0.577 0.000 -0.270) 0.637 4.652 ( -1.018 0.000 0.254) 1.049 4.766 ( 7.168 -0.000 -7.373) 10.283 4.846 ( -1.032 0.000 -4.774) 4.884 4.975 ( -6.095 0.000 2.407) 6.554 5.019 ( -5.816 0.000 -0.144) 5.818 5.247 ( -1.024 0.000 1.763) 2.038 5.308 ( -4.528 0.000 1.385) 4.735 5.646 ( -0.672 0.000 5.803) 5.842 5.741 ( -2.594 0.000 0.886) 2.741 5.840 ( 0.637 -0.000 0.742) 0.978 5.873 ( 0.485 -0.000 1.035) 1.143 5.899 ( 1.141 -0.000 -1.912) 2.226 5.970 ( -0.751 0.000 -2.708) 2.810 6.046 ( -3.765 0.000 1.827) 4.185 6.086 ( -4.469 0.000 -0.066) 4.469 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 12.568 -0.617 6.099) 13.983 1.309 ( 16.789 1.441 -2.161) 16.989 1.431 ( 15.891 -0.251 -1.672) 15.981 1.483 ( 8.634 -1.012 -5.088) 10.072 1.654 ( 3.648 -0.786 -1.364) 3.973 1.707 ( 1.810 -0.135 -2.369) 2.984 1.888 ( 3.526 1.666 2.081) 4.420 1.925 ( -1.516 0.477 7.650) 7.813 1.963 ( 6.527 1.108 -2.929) 7.240 2.052 ( 10.797 1.825 5.072) 12.068 2.069 ( 1.212 -0.211 0.524) 1.337 2.116 ( 6.581 -2.562 1.453) 7.210 2.308 ( 4.392 -1.059 5.096) 6.810 2.369 ( 9.574 1.380 -1.882) 9.854 2.469 ( 3.964 0.352 -1.716) 4.334 2.553 ( 1.406 0.438 -3.739) 4.018 2.605 ( 8.692 0.456 2.407) 9.030 2.702 ( 1.484 1.004 -8.031) 8.228 2.728 ( 7.472 -0.276 -3.839) 8.406 2.810 ( 0.680 -0.645 -9.876) 9.921 3.020 ( 1.600 -0.199 2.808) 3.237 3.077 ( -0.227 2.527 1.516) 2.956 3.113 ( 1.128 -2.827 2.873) 4.185 3.173 ( -6.674 -1.536 0.705) 6.885 3.288 ( 0.306 0.329 5.861) 5.878 3.404 ( 0.280 -0.408 0.669) 0.832 4.154 ( 4.620 0.304 0.462) 4.653 4.179 ( 4.020 0.332 -0.687) 4.091 4.225 ( -2.037 -0.835 1.415) 2.618 4.292 ( -2.241 -0.537 -1.629) 2.822 4.533 ( -2.074 -0.058 1.076) 2.337 4.578 ( 7.789 -0.353 1.176) 7.885 4.617 ( -1.228 -0.357 -0.602) 1.413 4.686 ( 3.811 0.124 -0.218) 3.819 4.806 ( -2.654 0.198 1.817) 3.223 4.870 ( 2.643 0.124 -4.635) 5.337 4.897 ( -1.524 0.309 -1.667) 2.280 4.914 ( -3.403 0.129 -1.941) 3.919 5.249 ( 0.640 0.408 1.992) 2.131 5.253 ( -0.155 -0.216 2.282) 2.297 5.619 ( -2.099 1.635 2.304) 3.520 5.678 ( -3.782 0.897 0.721) 3.953 5.847 ( -1.450 1.886 0.722) 2.486 5.867 ( 0.316 -0.982 0.928) 1.387 5.919 ( 0.722 2.269 -1.898) 3.045 5.949 ( -1.092 -1.072 -2.333) 2.790 5.986 ( -2.484 0.213 0.959) 2.671 6.029 ( -2.544 -1.587 -0.927) 3.139 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 10.812 -0.464 1.921) 10.991 1.516 ( 6.670 1.437 -8.126) 10.611 1.660 ( 9.258 0.844 0.528) 9.312 1.701 ( 9.221 -0.622 -1.309) 9.334 1.746 ( 5.798 -0.340 0.468) 5.826 1.756 ( 5.220 -1.644 -0.743) 5.523 1.859 ( -2.896 0.390 2.267) 3.699 1.937 ( -1.718 1.552 -1.854) 2.966 1.981 ( 1.477 -1.044 4.950) 5.270 2.071 ( -0.829 3.331 1.639) 3.804 2.198 ( 7.242 3.182 0.109) 7.911 2.225 ( 6.464 0.030 -1.845) 6.722 2.399 ( -2.402 8.265 1.108) 8.678 2.435 ( 1.848 0.701 2.351) 3.071 2.468 ( -2.967 0.403 5.818) 6.543 2.545 ( 1.841 -1.143 0.489) 2.221 2.745 ( 2.839 0.001 -11.538) 11.882 2.784 ( 4.055 -5.207 1.700) 6.815 2.825 ( 2.017 0.951 -8.314) 8.608 2.920 ( 5.376 -2.453 -4.547) 7.456 3.058 ( 3.589 -1.163 1.990) 4.265 3.086 ( 4.907 -1.556 0.996) 5.243 3.137 ( 1.169 -1.094 2.315) 2.814 3.164 ( 3.102 -2.646 -0.465) 4.104 3.279 ( -0.926 0.406 8.036) 8.099 3.428 ( 2.382 -0.590 -0.036) 2.454 4.194 ( -0.858 -0.191 1.308) 1.576 4.232 ( 3.181 -0.656 0.474) 3.283 4.245 ( 1.626 0.524 -0.718) 1.853 4.260 ( 0.340 -0.805 -0.809) 1.191 4.479 ( -2.738 0.714 1.699) 3.300 4.584 ( -1.164 -0.142 -3.372) 3.570 4.666 ( 1.677 0.242 2.524) 3.040 4.725 ( 0.894 2.772 0.582) 2.971 4.807 ( 1.377 -2.495 1.678) 3.307 4.819 ( -2.719 -0.149 -0.271) 2.736 4.885 ( 0.051 0.346 -1.506) 1.546 4.964 ( 3.474 -0.770 -4.982) 6.122 5.259 ( 1.553 0.939 4.417) 4.775 5.305 ( 4.124 0.275 0.605) 4.178 5.557 ( -2.728 2.330 0.643) 3.645 5.587 ( -5.209 1.638 0.575) 5.491 5.796 ( -2.399 1.471 1.228) 3.070 5.857 ( -2.051 -0.057 1.259) 2.407 5.893 ( -1.410 1.842 -2.553) 3.449 5.936 ( -1.381 0.329 -0.625) 1.551 5.953 ( -1.694 -1.177 -0.865) 2.236 5.987 ( -2.873 -0.675 -1.076) 3.141 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 8.225 -0.022 -0.938) 8.279 1.597 ( 3.271 0.480 -6.328) 7.140 1.753 ( 2.128 0.412 0.243) 2.181 1.766 ( 0.070 -1.170 -0.476) 1.265 1.805 ( -2.025 0.173 2.327) 3.089 1.856 ( -0.971 -0.435 -0.351) 1.120 1.873 ( 4.924 2.353 2.087) 5.843 1.945 ( 6.369 1.650 -3.098) 7.272 2.015 ( 2.269 0.354 2.051) 3.079 2.066 ( 1.419 -0.240 0.242) 1.460 2.203 ( -4.818 8.708 1.768) 10.108 2.271 ( -1.090 4.993 -0.522) 5.137 2.336 ( -0.809 2.472 3.519) 4.376 2.394 ( 3.624 1.940 3.752) 5.565 2.513 ( 1.041 -3.642 -1.072) 3.937 2.586 ( 2.739 -1.618 2.105) 3.814 2.773 ( 0.087 -0.932 -11.310) 11.349 2.780 ( -0.834 -1.774 -3.475) 3.990 2.867 ( 0.534 -1.972 -3.358) 3.931 2.949 ( -2.269 -4.827 -3.175) 6.207 3.110 ( 0.700 0.043 1.010) 1.229 3.137 ( -1.420 0.137 -0.132) 1.432 3.222 ( 2.350 0.661 7.266) 7.666 3.264 ( 0.940 -0.704 8.748) 8.826 3.337 ( 11.453 -3.370 0.084) 11.938 3.520 ( 6.906 -2.140 -3.503) 8.034 4.185 ( 0.016 -0.143 1.239) 1.247 4.231 ( -0.498 -0.227 -0.812) 0.979 4.301 ( 3.064 -0.403 0.381) 3.114 4.314 ( 2.743 0.315 -0.293) 2.776 4.441 ( -0.388 0.796 2.301) 2.465 4.578 ( 0.547 -0.106 -4.435) 4.470 4.689 ( 0.872 2.824 1.937) 3.533 4.717 ( 0.954 1.485 1.689) 2.444 4.796 ( 0.180 -0.036 -0.287) 0.341 4.821 ( -1.178 -1.743 -1.216) 2.430 4.888 ( -0.278 -1.022 1.311) 1.685 5.016 ( 0.993 -0.861 -5.454) 5.610 5.267 ( -0.439 1.836 6.552) 6.819 5.392 ( 4.317 0.681 -0.554) 4.406 5.470 ( -5.228 1.461 1.620) 5.665 5.519 ( 0.322 0.969 -1.003) 1.432 5.748 ( -1.840 1.285 1.716) 2.825 5.806 ( -3.010 -0.446 1.498) 3.391 5.858 ( -1.342 1.223 -2.932) 3.449 5.893 ( -2.810 0.386 -0.077) 2.838 5.911 ( -3.367 -0.417 -1.805) 3.843 5.930 ( -2.909 0.095 -0.932) 3.056 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 2.247 0.802 -1.615) 2.881 1.663 ( 3.533 -0.276 -4.604) 5.810 1.744 ( -1.470 -0.023 0.134) 1.476 1.758 ( -0.864 -0.179 -0.508) 1.018 1.792 ( 0.771 0.058 1.137) 1.375 1.826 ( -1.810 -0.778 -0.979) 2.200 1.876 ( -1.856 6.563 4.498) 8.170 1.999 ( -0.483 2.840 -1.529) 3.262 2.053 ( 2.827 0.550 -0.468) 2.918 2.109 ( 1.632 -0.020 -0.836) 1.834 2.137 ( 0.207 -0.449 0.712) 0.867 2.182 ( -3.089 2.282 -1.913) 4.291 2.310 ( -1.209 0.777 6.455) 6.613 2.430 ( -0.494 0.061 5.270) 5.294 2.576 ( 3.104 -3.052 -1.253) 4.530 2.620 ( -0.757 -4.882 0.399) 4.956 2.743 ( -5.328 -7.106 -8.526) 12.311 2.798 ( -1.014 -1.865 -9.014) 9.260 2.916 ( 6.982 5.497 -0.655) 8.910 2.948 ( 1.791 0.469 -1.422) 2.335 3.079 ( -2.406 2.452 1.314) 3.678 3.112 ( 0.293 1.401 -0.648) 1.571 3.241 ( 0.978 -0.176 7.292) 7.360 3.270 ( -0.917 -0.275 6.113) 6.187 3.505 ( 4.795 0.179 2.345) 5.341 3.674 ( 5.560 -3.739 -4.092) 7.851 4.192 ( 0.566 0.308 1.245) 1.402 4.231 ( 0.259 0.150 -0.602) 0.672 4.333 ( 0.415 0.585 0.371) 0.808 4.345 ( 0.666 0.556 -0.196) 0.890 4.464 ( 1.974 -1.914 2.286) 3.576 4.588 ( -0.878 -0.044 -3.024) 3.150 4.654 ( -1.228 2.013 1.087) 2.597 4.764 ( 1.572 1.122 -2.547) 3.196 4.796 ( 0.089 -1.591 1.572) 2.238 4.844 ( 4.245 -0.001 -0.292) 4.255 4.877 ( -0.901 -0.794 1.482) 1.907 4.983 ( -4.642 0.570 -4.317) 6.365 5.251 ( 0.674 0.611 5.256) 5.334 5.331 ( -5.321 1.095 0.937) 5.513 5.503 ( 4.158 0.217 0.615) 4.209 5.540 ( 0.695 -0.160 -0.798) 1.071 5.714 ( -1.013 0.859 1.872) 2.295 5.761 ( -1.859 -0.429 1.208) 2.258 5.827 ( -1.589 0.529 -2.214) 2.776 5.840 ( -2.083 0.197 -0.616) 2.181 5.853 ( -1.688 -0.107 -0.707) 1.834 5.888 ( -1.313 0.192 -2.059) 2.450 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -2.391 0.096 -0.718) 2.499 1.658 ( -3.217 0.247 -3.501) 4.761 1.738 ( -0.194 -0.073 0.759) 0.786 1.758 ( 0.634 -0.052 -0.242) 0.680 1.785 ( -1.495 -0.731 2.493) 2.998 1.816 ( 0.228 0.974 1.588) 1.877 1.849 ( 3.349 0.674 -1.192) 3.618 1.951 ( -4.031 -1.245 -2.394) 4.850 2.057 ( -2.811 0.995 -0.999) 3.145 2.098 ( -0.777 -0.646 -1.763) 2.032 2.153 ( -0.353 0.063 -0.260) 0.443 2.159 ( -0.077 0.673 -0.427) 0.801 2.286 ( -1.234 -1.276 6.556) 6.792 2.395 ( -3.780 -3.115 5.839) 7.621 2.597 ( -1.447 -1.561 3.026) 3.699 2.641 ( -1.511 -3.638 -4.470) 5.958 2.677 ( -3.560 -5.047 -8.175) 10.246 2.783 ( -1.103 -4.362 -8.663) 9.762 2.958 ( 0.489 3.639 0.204) 3.677 3.026 ( 4.328 3.417 -0.491) 5.536 3.089 ( 7.133 6.925 0.831) 9.976 3.132 ( 3.377 3.256 -1.176) 4.836 3.246 ( -1.440 0.152 6.368) 6.530 3.265 ( 1.179 -0.557 5.651) 5.800 3.522 ( -2.311 1.681 3.355) 4.407 3.713 ( -3.257 -0.577 -4.436) 5.534 4.198 ( 0.388 0.925 1.227) 1.585 4.234 ( 0.266 0.460 -0.531) 0.751 4.323 ( -1.032 -0.185 0.499) 1.161 4.338 ( -1.047 0.072 -0.200) 1.068 4.489 ( -2.234 -0.691 2.098) 3.141 4.553 ( -0.280 -1.506 1.063) 1.865 4.636 ( -1.450 -0.798 -2.458) 2.963 4.723 ( -3.324 -1.978 -3.414) 5.159 4.829 ( 0.244 0.800 -0.009) 0.837 4.850 ( -4.611 0.842 -0.280) 4.696 4.900 ( 2.721 1.015 1.988) 3.520 4.970 ( 5.544 -0.494 -1.499) 5.764 5.242 ( -2.690 -0.077 3.671) 4.552 5.302 ( 3.248 -1.390 0.888) 3.643 5.499 ( -4.282 -0.129 0.864) 4.370 5.541 ( -1.268 -0.052 -0.828) 1.516 5.702 ( 0.235 -0.221 1.815) 1.844 5.761 ( 1.788 -0.278 1.017) 2.076 5.816 ( 0.290 -0.387 -2.431) 2.479 5.831 ( 1.492 -0.461 -0.237) 1.579 5.856 ( 1.994 0.160 -0.444) 2.049 5.884 ( 0.996 -0.129 -2.156) 2.379 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -7.360 0.250 -0.586) 7.388 1.581 ( -4.996 -0.921 -4.305) 6.659 1.719 ( -3.056 -2.911 1.726) 4.560 1.777 ( -0.036 -1.979 3.576) 4.088 1.796 ( 1.702 -0.918 0.846) 2.111 1.819 ( -1.277 1.110 -1.055) 1.994 1.875 ( -1.185 -2.764 -2.807) 4.114 1.902 ( -1.165 0.810 -1.442) 2.023 1.984 ( -4.748 -1.857 2.200) 5.552 2.050 ( -2.797 0.726 1.053) 3.075 2.120 ( -4.592 -2.345 1.159) 5.285 2.163 ( 1.822 -3.531 -2.131) 4.509 2.264 ( -4.544 -3.804 2.634) 6.485 2.367 ( 2.032 0.736 2.500) 3.305 2.555 ( -3.681 -0.875 -0.950) 3.901 2.599 ( -1.431 0.150 0.521) 1.530 2.688 ( 0.852 -2.800 -8.138) 8.648 2.799 ( 0.018 -2.241 -9.041) 9.315 2.948 ( 0.151 1.973 1.311) 2.374 3.052 ( -0.098 2.377 -1.297) 2.710 3.174 ( 2.384 3.679 1.178) 4.539 3.184 ( 4.710 6.818 0.157) 8.288 3.216 ( -1.920 0.243 8.330) 8.552 3.279 ( -0.038 1.034 6.163) 6.249 3.411 ( -7.358 3.276 0.275) 8.059 3.573 ( -9.384 2.008 -4.010) 10.400 4.199 ( 0.480 1.196 1.352) 1.868 4.241 ( 0.953 0.664 -0.648) 1.330 4.302 ( -1.763 -0.548 0.110) 1.850 4.306 ( -2.485 -0.239 -0.085) 2.498 4.429 ( -1.878 -0.012 2.677) 3.270 4.582 ( 0.102 -1.179 -2.947) 3.175 4.598 ( -1.360 -2.954 -0.035) 3.252 4.699 ( -0.810 -1.746 -1.431) 2.399 4.789 ( -0.737 -0.504 0.155) 0.906 4.828 ( 0.170 -0.318 -1.660) 1.699 4.933 ( 0.746 2.376 3.068) 3.951 5.036 ( 0.640 0.722 -3.038) 3.187 5.216 ( -0.888 -2.202 6.106) 6.551 5.365 ( -1.610 -1.777 -1.712) 2.947 5.430 ( 0.752 -1.802 2.058) 2.837 5.493 ( -2.872 -1.210 -1.130) 3.315 5.725 ( 1.563 -0.691 1.727) 2.429 5.810 ( 2.878 -0.107 1.201) 3.121 5.829 ( 0.591 -1.225 -2.783) 3.097 5.883 ( 2.907 -0.504 -0.017) 2.951 5.916 ( 3.541 0.051 -1.412) 3.812 5.925 ( 3.164 -0.326 -0.997) 3.333 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -9.637 1.196 1.287) 9.795 1.464 ( -9.223 -2.917 -4.729) 10.768 1.632 ( -7.691 -1.535 0.568) 7.863 1.708 ( -9.142 -1.264 -3.261) 9.789 1.745 ( -3.584 -0.367 3.716) 5.176 1.812 ( -5.129 2.828 -1.603) 6.073 1.847 ( 2.293 -0.450 1.798) 2.949 1.903 ( 0.166 -1.414 -1.804) 2.298 1.950 ( -1.721 -6.082 2.897) 6.953 2.005 ( -4.700 -0.408 0.997) 4.822 2.065 ( -0.254 -7.155 3.298) 7.883 2.170 ( -5.923 -4.950 1.323) 7.832 2.269 ( 6.266 -1.817 -3.314) 7.318 2.425 ( 3.081 2.074 -0.111) 3.716 2.494 ( -2.658 1.020 4.173) 5.052 2.580 ( -0.836 1.834 -0.996) 2.248 2.711 ( -0.916 -2.326 -10.771) 11.057 2.796 ( -1.236 -1.205 -9.237) 9.397 2.891 ( -7.413 2.843 2.121) 8.218 2.961 ( -9.272 0.960 -1.417) 9.429 3.116 ( -6.082 1.072 4.815) 7.831 3.145 ( -7.387 6.032 0.889) 9.578 3.187 ( 1.395 2.200 7.034) 7.501 3.220 ( -2.134 1.483 1.866) 3.199 3.313 ( 0.504 4.805 0.613) 4.870 3.445 ( -2.597 0.746 -2.044) 3.388 4.205 ( -0.187 0.868 1.227) 1.515 4.239 ( -3.188 0.147 -0.429) 3.220 4.254 ( -1.799 1.075 0.320) 2.120 4.275 ( 1.594 0.384 -0.516) 1.719 4.458 ( 4.030 -0.997 2.270) 4.732 4.592 ( 2.040 0.180 -3.787) 4.305 4.613 ( -0.861 -3.828 1.391) 4.163 4.697 ( -0.018 -0.478 -0.196) 0.517 4.811 ( 1.829 -0.912 -0.856) 2.216 4.839 ( 0.666 -0.391 -1.701) 1.868 4.898 ( -2.808 2.125 2.146) 4.124 4.992 ( -4.082 1.566 -3.515) 5.610 5.214 ( -1.007 -3.116 6.349) 7.144 5.294 ( -3.841 -0.681 0.602) 3.948 5.477 ( 0.079 -3.920 -0.116) 3.923 5.520 ( 4.316 -4.072 -0.650) 5.969 5.761 ( 1.686 -1.218 1.453) 2.537 5.849 ( 0.635 -1.705 -2.454) 3.055 5.861 ( 2.265 0.166 1.328) 2.631 5.929 ( 1.460 -0.338 -0.074) 1.500 5.973 ( 2.805 0.613 -1.295) 3.150 5.995 ( 3.637 -0.139 -1.073) 3.795 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -10.815 2.825 4.901) 12.205 1.248 ( -15.293 -2.745 -0.366) 15.542 1.449 ( -11.947 1.425 -2.164) 12.225 1.519 ( -9.211 1.325 -3.524) 9.950 1.674 ( -4.675 -0.976 -1.179) 4.919 1.711 ( -4.427 0.133 -3.453) 5.616 1.826 ( -6.549 -2.495 1.183) 7.107 1.891 ( -3.290 -2.848 -1.481) 4.596 1.919 ( -0.780 -1.542 4.147) 4.493 1.972 ( -0.657 -4.186 4.327) 6.056 2.090 ( 0.728 1.642 4.049) 4.429 2.154 ( -2.717 -4.246 -0.013) 5.041 2.309 ( -6.785 -0.660 0.193) 6.820 2.359 ( -8.742 2.223 3.190) 9.568 2.449 ( -5.186 -1.226 -1.834) 5.635 2.548 ( -1.259 1.312 -4.156) 4.536 2.613 ( -9.135 2.301 2.108) 9.653 2.674 ( -6.927 -0.780 -3.674) 7.880 2.735 ( -4.878 0.484 -8.485) 9.799 2.824 ( -1.163 -0.183 -8.006) 8.092 3.015 ( -4.254 -0.519 2.778) 5.107 3.065 ( 0.297 1.376 0.975) 1.712 3.160 ( -3.761 0.464 2.698) 4.652 3.223 ( 3.670 2.407 4.889) 6.570 3.296 ( -0.670 1.583 2.935) 3.401 3.429 ( 1.021 1.723 -0.446) 2.052 4.144 ( -5.065 -0.354 0.521) 5.104 4.166 ( -4.247 -0.515 -0.520) 4.310 4.262 ( 1.839 1.852 1.105) 2.834 4.311 ( 1.681 0.468 -1.108) 2.067 4.531 ( -0.228 -0.470 2.306) 2.364 4.589 ( -0.838 0.231 1.720) 1.927 4.643 ( 1.953 1.895 -3.049) 4.086 4.682 ( -2.733 0.066 -0.819) 2.854 4.799 ( -1.393 -0.071 2.462) 2.830 4.858 ( -1.539 -1.068 -2.647) 3.243 4.880 ( 0.798 -1.072 -1.575) 2.066 4.911 ( 0.667 0.083 -3.841) 3.899 5.229 ( 1.600 -1.792 4.701) 5.279 5.251 ( -0.616 -0.414 1.373) 1.560 5.526 ( 1.753 -5.664 1.753) 6.183 5.620 ( 3.828 -4.143 -0.520) 5.665 5.799 ( 1.296 -1.836 0.896) 2.419 5.865 ( 0.105 -1.558 -1.934) 2.485 5.888 ( 0.700 0.409 1.250) 1.490 5.940 ( -0.374 -0.604 0.072) 0.714 6.016 ( 2.522 1.766 -0.509) 3.121 6.062 ( 3.666 0.597 -1.704) 4.087 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -12.022 3.829 10.353) 16.321 0.934 ( -16.978 2.218 3.718) 17.521 1.183 ( -13.286 5.426 -3.787) 14.842 1.350 ( -8.574 2.221 -5.598) 10.477 1.573 ( -7.638 -1.805 -3.788) 8.714 1.597 ( -10.671 -0.048 -3.063) 11.102 1.732 ( -7.258 0.207 3.344) 7.994 1.779 ( -7.723 0.429 2.387) 8.095 1.850 ( -10.010 3.408 2.685) 10.910 1.943 ( -2.445 -0.539 8.444) 8.808 1.981 ( -5.335 -1.868 0.893) 5.722 2.048 ( -11.615 -0.738 -2.511) 11.906 2.128 ( -3.267 -2.038 -0.095) 3.852 2.234 ( -7.499 -0.956 0.985) 7.624 2.306 ( -6.613 -4.601 -1.552) 8.204 2.431 ( -6.269 0.588 -3.833) 7.371 2.553 ( 2.399 1.178 1.543) 3.086 2.666 ( 0.913 -1.123 -8.433) 8.556 2.713 ( 0.952 0.057 -7.138) 7.201 2.825 ( -0.207 0.301 -7.528) 7.537 2.961 ( -1.248 -2.749 4.836) 5.701 3.069 ( -2.690 -0.383 -0.404) 2.747 3.102 ( 0.005 0.039 7.460) 7.460 3.269 ( -0.379 1.240 8.142) 8.245 3.305 ( 4.275 -1.338 -1.884) 4.859 3.455 ( 2.703 2.996 -1.006) 4.159 4.006 ( -11.344 -1.056 1.284) 11.465 4.079 ( -5.880 -1.376 -1.882) 6.325 4.264 ( -2.056 -0.416 0.800) 2.245 4.319 ( -1.192 -1.171 -1.968) 2.582 4.414 ( -6.693 3.360 2.377) 7.857 4.518 ( -6.501 1.109 -2.393) 7.016 4.626 ( -3.852 -0.691 1.082) 4.060 4.671 ( 2.621 1.504 1.055) 3.201 4.780 ( -2.388 0.941 -6.072) 6.592 4.842 ( 1.844 -0.733 -5.375) 5.730 4.941 ( 4.430 -2.373 2.265) 5.512 4.995 ( 5.055 -1.425 -0.395) 5.267 5.253 ( 1.420 0.336 1.953) 2.438 5.315 ( 5.441 0.005 1.124) 5.556 5.591 ( 2.290 -4.343 4.854) 6.904 5.707 ( 3.234 -2.862 0.672) 4.370 5.825 ( 0.510 -1.252 0.567) 1.466 5.870 ( -0.300 -0.689 -1.009) 1.258 5.887 ( -0.584 0.052 0.425) 0.724 5.934 ( -0.680 -2.419 -0.198) 2.521 6.053 ( 2.709 2.305 1.051) 3.709 6.134 ( 4.787 1.564 -2.016) 5.425 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -15.256 6.967 8.225) 18.680 0.684 ( -9.619 8.458 15.868) 20.392 0.920 ( -9.771 9.105 -5.897) 14.599 1.112 ( -24.657 15.787 12.758) 31.937 1.141 ( -11.249 5.009 -8.568) 15.001 1.508 ( -4.055 -3.207 -1.000) 5.266 1.567 ( -6.301 -4.793 -1.119) 7.995 1.726 ( -6.367 -3.798 -3.245) 8.093 1.749 ( -3.785 -3.679 0.478) 5.300 1.795 ( -3.739 2.500 -2.379) 5.088 1.845 ( -6.238 -1.499 3.277) 7.204 1.983 ( -3.125 1.079 -1.685) 3.711 2.065 ( -4.631 -1.474 4.073) 6.341 2.131 ( 0.325 -1.993 -0.063) 2.020 2.270 ( -1.171 -2.976 -2.847) 4.282 2.393 ( 0.253 -1.147 -0.896) 1.477 2.610 ( 3.273 -1.072 -1.953) 3.960 2.691 ( 1.983 0.573 -6.600) 6.915 2.739 ( 1.579 -0.195 -5.103) 5.345 2.781 ( -3.472 -0.644 -2.115) 4.116 2.992 ( -1.880 -2.871 2.389) 4.181 3.007 ( -0.088 -2.471 0.328) 2.494 3.126 ( 1.746 0.183 7.914) 8.107 3.257 ( 0.247 2.043 7.148) 7.439 3.398 ( 3.528 -3.171 -1.824) 5.082 3.482 ( 2.112 4.397 -1.314) 5.052 3.715 ( -17.258 -0.243 1.855) 17.359 3.912 ( -16.233 -3.724 -9.248) 19.050 4.198 ( -3.546 -1.008 0.278) 3.697 4.256 ( -7.833 -4.000 -4.780) 10.010 4.338 ( -0.640 1.953 1.515) 2.554 4.409 ( -2.108 1.687 -2.379) 3.598 4.556 ( -3.654 -1.196 4.256) 5.736 4.702 ( 1.468 2.393 0.315) 2.825 4.731 ( -0.968 5.475 -5.460) 7.792 4.868 ( 0.886 0.714 -6.585) 6.683 5.044 ( 3.734 -3.890 3.067) 6.203 5.091 ( 3.563 -2.238 0.105) 4.209 5.281 ( 1.377 0.475 1.939) 2.425 5.403 ( 3.387 1.304 -2.656) 4.497 5.681 ( 5.980 -1.974 7.646) 9.905 5.769 ( 2.088 -1.075 1.431) 2.750 5.838 ( 0.247 -0.472 0.812) 0.971 5.846 ( -1.852 0.084 0.850) 2.039 5.887 ( 0.348 -0.303 -1.046) 1.143 5.942 ( -0.659 -3.752 -0.833) 3.900 6.101 ( 3.285 -0.419 4.730) 5.774 6.227 ( 5.970 1.846 -1.785) 6.499 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 14.340 12.001) 18.699 0.448 ( 0.000 15.443 14.920) 21.473 0.713 ( 0.000 11.541 21.580) 24.472 0.817 ( 0.000 9.680 1.820) 9.850 0.975 ( 0.000 4.648 -12.073) 12.937 1.449 ( -0.000 -0.493 5.770) 5.791 1.602 ( -0.000 -2.005 -2.495) 3.201 1.618 ( -0.000 -13.145 -9.480) 16.206 1.739 ( -0.000 -0.847 1.161) 1.437 1.778 ( 0.000 0.457 -0.707) 0.842 1.791 ( -0.000 -1.249 1.023) 1.614 1.896 ( 0.000 8.884 -8.199) 12.090 2.052 ( 0.000 0.235 3.459) 3.467 2.177 ( -0.000 -8.182 4.124) 9.162 2.280 ( -0.000 -3.950 -2.067) 4.458 2.402 ( 0.000 2.485 3.506) 4.297 2.656 ( -0.000 -2.274 -9.472) 9.741 2.731 ( -0.000 -0.640 0.290) 0.702 2.743 ( -0.000 -1.057 -0.281) 1.094 2.763 ( 0.000 0.446 -7.783) 7.796 2.966 ( -0.000 -2.790 1.715) 3.275 3.043 ( -0.000 -1.834 -1.729) 2.520 3.159 ( -0.000 -0.934 8.757) 8.807 3.255 ( 0.000 0.942 9.839) 9.884 3.458 ( -0.000 -3.339 -3.232) 4.647 3.505 ( 0.000 0.554 0.150) 0.574 3.512 ( 0.000 0.421 -0.162) 0.451 3.536 ( 0.000 10.224 -5.713) 11.712 4.168 ( -0.000 -0.529 0.032) 0.530 4.175 ( -0.000 -0.659 -0.370) 0.755 4.333 ( -0.000 -0.073 1.632) 1.634 4.397 ( -0.000 -0.220 -1.289) 1.307 4.517 ( 0.000 0.061 5.089) 5.090 4.676 ( 0.000 7.305 -5.255) 8.998 4.711 ( 0.000 1.848 1.804) 2.583 4.872 ( 0.000 0.845 -6.654) 6.707 5.104 ( -0.000 -3.894 2.984) 4.906 5.138 ( -0.000 -1.953 0.169) 1.960 5.293 ( 0.000 0.136 1.963) 1.968 5.425 ( 0.000 1.515 -3.139) 3.486 5.789 ( 0.000 0.143 0.468) 0.489 5.796 ( -0.000 -2.764 3.907) 4.786 5.810 ( 0.000 0.134 -0.468) 0.487 5.844 ( -0.000 -0.043 0.341) 0.344 5.892 ( -0.000 -0.061 -1.042) 1.043 5.945 ( -0.000 -1.881 -0.551) 1.960 6.169 ( -0.000 -6.484 7.064) 9.589 6.310 ( -0.000 -0.033 -2.914) 2.914 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 10.963 -0.000 2.021) 11.147 1.524 ( 6.153 -0.000 -8.675) 10.635 1.665 ( 9.238 -0.000 0.396) 9.247 1.697 ( 9.321 -0.000 -1.046) 9.380 1.745 ( 6.764 -0.000 -0.145) 6.765 1.746 ( 4.991 -0.000 -0.363) 5.004 1.861 ( -2.966 0.000 2.390) 3.809 1.947 ( -3.369 0.000 -3.245) 4.677 1.975 ( 3.132 -0.000 6.479) 7.196 2.089 ( -3.468 0.000 1.334) 3.715 2.211 ( 7.277 -0.000 -0.470) 7.292 2.230 ( 9.729 -0.000 -1.022) 9.783 2.427 ( 3.199 -0.000 5.223) 6.124 2.463 ( -0.300 0.000 0.146) 0.333 2.475 ( -5.676 0.000 3.334) 6.583 2.538 ( 2.405 -0.000 1.679) 2.933 2.728 ( 0.393 -0.000 -1.813) 1.855 2.763 ( 5.088 -0.000 -7.394) 8.976 2.831 ( 1.524 -0.000 -8.244) 8.383 2.905 ( 3.913 -0.000 -5.273) 6.566 3.054 ( 3.856 -0.000 1.935) 4.314 3.075 ( 4.839 -0.000 0.357) 4.852 3.132 ( 0.996 -0.000 1.855) 2.105 3.149 ( 4.288 -0.000 -0.195) 4.292 3.281 ( -1.107 0.000 8.227) 8.301 3.425 ( 2.292 -0.000 0.386) 2.324 4.193 ( -1.059 0.000 1.303) 1.679 4.228 ( 3.487 -0.000 0.550) 3.530 4.251 ( -1.690 0.000 -1.141) 2.039 4.253 ( 3.711 -0.000 -0.515) 3.746 4.483 ( -2.452 0.000 1.587) 2.921 4.584 ( -0.877 0.000 -3.223) 3.340 4.667 ( 1.408 -0.000 2.771) 3.109 4.747 ( 2.158 -0.000 -0.432) 2.201 4.787 ( 0.390 -0.000 2.778) 2.806 4.819 ( -2.771 0.000 -0.083) 2.773 4.887 ( -0.116 0.000 -1.647) 1.651 4.959 ( 3.374 -0.000 -5.260) 6.249 5.264 ( 1.668 -0.000 4.158) 4.480 5.306 ( 4.187 -0.000 0.601) 4.229 5.570 ( -3.120 0.000 0.713) 3.200 5.596 ( -5.307 0.000 0.767) 5.362 5.805 ( -2.607 0.000 1.093) 2.827 5.857 ( -2.116 0.000 1.306) 2.487 5.905 ( -2.037 0.000 -2.673) 3.361 5.940 ( -0.493 0.000 -2.208) 2.263 5.942 ( -2.033 0.000 0.770) 2.174 5.982 ( -2.509 0.000 -1.024) 2.710 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 8.550 0.001 -0.934) 8.601 1.601 ( 2.773 0.167 -6.760) 7.308 1.751 ( 0.860 -0.355 -0.180) 0.947 1.761 ( 1.649 0.050 -0.520) 1.729 1.806 ( -1.983 0.065 2.349) 3.074 1.848 ( -1.176 -0.481 -0.356) 1.320 1.895 ( 6.665 1.076 1.820) 6.992 1.957 ( 6.614 0.605 -2.424) 7.071 2.025 ( 2.441 1.572 1.687) 3.358 2.051 ( 0.660 -1.998 0.757) 2.236 2.303 ( -4.036 6.724 1.274) 7.945 2.317 ( -1.827 3.016 1.296) 3.757 2.361 ( -2.620 3.713 3.278) 5.603 2.407 ( 3.566 -0.106 2.257) 4.221 2.456 ( -3.064 -6.472 0.978) 7.227 2.567 ( 0.411 -1.374 2.368) 2.768 2.718 ( 0.268 -2.961 -6.328) 6.991 2.811 ( -0.471 2.440 -7.580) 7.977 2.845 ( 2.053 -2.196 -5.497) 6.265 2.916 ( 0.379 -1.214 -3.308) 3.544 3.114 ( 1.648 0.406 0.870) 1.907 3.139 ( -0.475 0.132 0.104) 0.504 3.233 ( 2.896 1.159 5.244) 6.101 3.257 ( -0.653 -0.709 9.737) 9.784 3.306 ( 13.706 -1.856 0.466) 13.839 3.503 ( 5.755 -0.824 -3.208) 6.640 4.185 ( 0.219 0.004 1.142) 1.163 4.229 ( -0.351 -0.066 -0.837) 0.910 4.297 ( 3.329 -0.209 0.558) 3.382 4.317 ( 2.878 0.104 -0.404) 2.908 4.448 ( -1.096 0.352 2.144) 2.433 4.578 ( 0.110 -0.002 -4.233) 4.234 4.700 ( 2.839 0.102 2.385) 3.709 4.751 ( -0.646 3.856 1.147) 4.075 4.791 ( -0.506 -2.865 0.238) 2.919 4.797 ( -0.322 -0.572 0.140) 0.671 4.883 ( -0.427 -0.099 0.104) 0.450 5.009 ( 1.350 -0.336 -6.073) 6.230 5.281 ( -0.499 0.654 6.381) 6.434 5.397 ( 4.660 0.226 -0.358) 4.679 5.482 ( -5.949 0.524 1.622) 6.188 5.527 ( -0.534 0.365 -0.938) 1.139 5.760 ( -1.875 0.740 1.447) 2.481 5.801 ( -3.275 -0.386 1.761) 3.738 5.868 ( -1.643 0.523 -2.894) 3.369 5.897 ( -2.826 0.291 0.287) 2.855 5.906 ( -3.228 -0.379 -2.273) 3.966 5.930 ( -2.693 0.016 -0.950) 2.855 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.178 1.319 -2.667) 3.687 1.655 ( 3.808 -1.081 -4.259) 5.815 1.742 ( -1.507 -0.187 0.003) 1.519 1.756 ( -0.867 -0.160 -0.446) 0.988 1.794 ( 0.596 0.209 0.916) 1.112 1.819 ( -1.233 -0.466 -0.608) 1.452 1.948 ( -0.215 5.340 4.002) 6.677 2.033 ( -2.072 3.296 -1.088) 4.042 2.064 ( 2.428 1.692 0.263) 2.971 2.103 ( 2.084 -0.959 -0.140) 2.298 2.140 ( -1.445 1.084 1.468) 2.328 2.208 ( -5.281 2.162 -1.413) 5.879 2.317 ( -2.347 0.621 6.534) 6.971 2.406 ( -4.608 -5.498 3.963) 8.195 2.527 ( 3.786 -4.173 -1.629) 5.866 2.561 ( -1.728 -3.971 0.934) 4.430 2.713 ( -2.349 0.251 -9.923) 10.200 2.764 ( -3.103 -3.480 -9.413) 10.504 2.958 ( 3.869 1.268 -0.438) 4.095 2.963 ( 7.477 2.142 -0.747) 7.813 3.109 ( -0.455 2.645 1.083) 2.894 3.133 ( 1.665 1.925 -0.286) 2.561 3.241 ( 0.553 0.187 8.058) 8.079 3.264 ( -0.579 -0.756 6.454) 6.524 3.514 ( 6.767 1.552 0.419) 6.955 3.629 ( 5.325 -4.150 -3.419) 7.567 4.197 ( 0.950 0.406 1.085) 1.498 4.233 ( 0.507 0.180 -0.611) 0.814 4.339 ( 0.742 0.471 0.350) 0.946 4.351 ( 0.692 0.442 -0.217) 0.850 4.445 ( 0.602 -1.390 2.424) 2.859 4.581 ( -0.366 -0.791 -4.160) 4.250 4.680 ( -3.749 2.285 1.993) 4.821 4.764 ( -2.401 -1.120 -2.024) 3.334 4.787 ( 4.723 0.026 2.447) 5.320 4.844 ( 4.393 -0.024 -0.391) 4.410 4.871 ( -0.759 -0.339 1.084) 1.366 4.988 ( -3.934 0.313 -5.423) 6.707 5.257 ( -0.211 0.440 5.692) 5.712 5.341 ( -5.985 0.608 1.036) 6.105 5.505 ( 4.217 0.156 0.489) 4.248 5.538 ( 0.434 -0.144 -0.766) 0.892 5.724 ( -1.450 0.926 1.682) 2.406 5.754 ( -1.754 -0.688 1.440) 2.372 5.832 ( -2.127 0.494 -1.988) 2.953 5.840 ( -2.555 -0.147 -1.090) 2.782 5.852 ( -1.238 0.010 -0.579) 1.367 5.890 ( -1.407 0.124 -2.031) 2.474 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -2.834 0.032 -1.151) 3.059 1.663 ( -3.187 0.376 -3.166) 4.508 1.741 ( -0.004 0.443 0.881) 0.986 1.758 ( 0.524 0.041 -0.104) 0.536 1.783 ( -3.367 0.486 1.556) 3.741 1.829 ( 1.429 1.162 0.381) 1.881 1.857 ( 0.973 0.981 -0.153) 1.390 1.941 ( -6.000 -0.805 -0.479) 6.072 2.072 ( -3.107 1.704 -1.294) 3.773 2.092 ( -1.237 -0.278 -1.609) 2.049 2.151 ( -1.138 -0.361 0.742) 1.405 2.173 ( 0.236 1.911 0.101) 1.929 2.273 ( -1.440 -0.911 6.576) 6.793 2.347 ( -3.983 -5.824 4.025) 8.123 2.544 ( -2.382 -5.973 -2.299) 6.829 2.597 ( 0.801 -2.752 0.746) 2.962 2.670 ( -0.841 0.892 -11.489) 11.554 2.741 ( -0.820 -3.154 -6.990) 7.713 2.983 ( -0.905 1.514 1.399) 2.251 3.039 ( 2.979 0.254 0.619) 3.053 3.171 ( 4.245 4.105 0.224) 5.910 3.177 ( 7.788 6.315 -0.323) 10.032 3.246 ( -1.110 -0.250 5.939) 6.047 3.261 ( 1.542 0.172 6.138) 6.331 3.548 ( -1.317 3.233 1.587) 3.835 3.693 ( -1.808 -2.987 -3.929) 5.256 4.210 ( 0.839 1.134 0.951) 1.701 4.239 ( 0.373 0.488 -0.487) 0.784 4.323 ( -1.705 0.228 0.623) 1.830 4.341 ( -1.195 0.427 -0.229) 1.289 4.469 ( -0.224 -2.504 2.345) 3.437 4.546 ( -3.035 -0.129 0.678) 3.112 4.623 ( -1.553 -1.362 -2.271) 3.070 4.706 ( -3.718 -1.096 -3.567) 5.268 4.833 ( -0.650 0.161 0.168) 0.690 4.861 ( -4.583 0.982 -0.730) 4.743 4.909 ( 4.045 0.660 2.233) 4.667 4.966 ( 5.193 -0.212 -0.763) 5.253 5.243 ( -3.337 0.232 2.847) 4.393 5.288 ( 2.348 -1.143 1.056) 2.817 5.498 ( -4.411 -0.064 0.925) 4.507 5.541 ( -1.479 -0.099 -0.807) 1.688 5.701 ( -0.104 -0.007 1.626) 1.629 5.758 ( 1.804 -0.345 1.059) 2.120 5.813 ( -0.245 -0.245 -2.493) 2.517 5.827 ( 1.455 -0.346 -0.136) 1.502 5.858 ( 1.908 0.101 -0.290) 1.932 5.883 ( 0.840 -0.065 -2.197) 2.353 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -6.962 0.307 -0.174) 6.971 1.571 ( -6.201 -0.906 -2.891) 6.901 1.685 ( -3.675 -2.872 1.754) 4.983 1.759 ( 0.154 -1.229 4.168) 4.349 1.776 ( -2.169 -2.756 -0.359) 3.526 1.821 ( -3.726 -0.719 -1.114) 3.955 1.863 ( 2.212 0.929 -1.724) 2.955 1.916 ( 1.253 1.442 -2.033) 2.789 1.972 ( -6.934 -0.489 0.804) 6.998 2.051 ( -3.276 -0.866 -0.755) 3.471 2.089 ( -6.700 -2.954 1.113) 7.407 2.147 ( 2.045 0.682 0.922) 2.344 2.222 ( -5.726 -3.520 4.191) 7.921 2.385 ( 5.571 2.071 -0.648) 5.978 2.522 ( -2.683 -4.053 -1.896) 5.217 2.606 ( 0.312 0.809 1.355) 1.609 2.670 ( 0.493 -0.637 -10.747) 10.777 2.771 ( 1.331 -2.738 -6.390) 7.078 2.959 ( -0.839 0.372 1.916) 2.125 3.071 ( -0.209 1.207 -1.391) 1.853 3.206 ( -1.318 0.451 7.923) 8.044 3.221 ( 1.500 3.079 2.820) 4.436 3.243 ( -0.041 1.871 3.562) 4.023 3.311 ( 3.842 4.928 2.185) 6.620 3.449 ( -5.938 3.898 -0.446) 7.117 3.588 ( -9.101 0.501 -3.995) 9.952 4.215 ( 0.597 1.677 1.173) 2.132 4.247 ( 0.995 0.486 -0.490) 1.211 4.293 ( -1.454 -0.885 0.408) 1.750 4.306 ( -2.261 0.423 -0.169) 2.306 4.432 ( -2.263 0.621 2.637) 3.530 4.541 ( 0.180 -4.369 1.887) 4.762 4.595 ( -1.646 0.442 -4.995) 5.278 4.672 ( -0.533 -2.985 -3.629) 4.729 4.786 ( -1.677 0.068 1.219) 2.074 4.823 ( -0.303 -0.477 -0.897) 1.060 4.957 ( 1.049 1.956 3.410) 4.068 5.041 ( 1.458 0.055 -1.357) 1.993 5.198 ( -1.865 -1.050 4.653) 5.122 5.344 ( 0.142 -2.091 -2.259) 3.081 5.414 ( -2.048 -1.140 2.305) 3.287 5.481 ( -3.726 -0.930 -1.155) 4.010 5.719 ( 1.434 -0.379 1.538) 2.137 5.807 ( 2.786 -0.305 0.544) 2.854 5.818 ( 0.619 -0.747 -2.019) 2.240 5.878 ( 2.972 -0.448 0.061) 3.007 5.916 ( 3.590 -0.066 -1.023) 3.734 5.921 ( 3.029 -0.290 -1.279) 3.300 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -8.718 1.392 0.935) 8.878 1.434 ( -9.727 -2.430 -2.988) 10.461 1.615 ( -5.837 -1.451 0.038) 6.015 1.677 ( -7.720 -4.222 -3.165) 9.351 1.745 ( -4.179 0.273 3.973) 5.773 1.827 ( -5.680 -0.585 1.031) 5.802 1.843 ( 0.911 -1.199 1.389) 2.048 1.874 ( -2.182 -2.666 2.262) 4.122 1.917 ( 1.692 0.367 -2.565) 3.094 1.970 ( -7.039 -5.353 2.238) 9.122 2.005 ( -3.007 -3.873 -1.470) 5.119 2.139 ( -3.318 -1.192 3.535) 4.992 2.255 ( 7.708 -0.389 -2.328) 8.061 2.463 ( 2.390 4.484 -2.381) 5.612 2.495 ( -1.205 -0.940 2.601) 3.017 2.600 ( -0.785 1.692 -0.402) 1.908 2.686 ( 0.023 -2.026 -10.787) 10.976 2.784 ( -1.498 -1.052 -8.405) 8.602 2.912 ( -6.005 1.140 1.821) 6.377 2.971 ( -9.936 0.913 -0.921) 10.020 3.126 ( -6.885 0.751 6.799) 9.705 3.192 ( -0.848 -0.570 10.667) 10.716 3.211 ( -6.700 5.374 -0.003) 8.589 3.251 ( -1.861 3.932 0.750) 4.414 3.368 ( -1.156 4.683 -1.696) 5.113 3.452 ( -2.229 0.654 -2.666) 3.536 4.216 ( -0.910 1.130 1.116) 1.830 4.243 ( -3.602 0.681 -0.288) 3.678 4.265 ( -0.635 0.724 0.157) 0.975 4.278 ( 1.724 0.201 -0.279) 1.758 4.449 ( 4.240 -0.600 2.562) 4.990 4.560 ( -0.846 -4.450 1.985) 4.946 4.603 ( 2.989 0.727 -4.785) 5.688 4.686 ( 0.212 -1.580 -2.439) 2.914 4.798 ( 2.119 -1.220 -0.523) 2.501 4.831 ( 0.693 -0.954 -1.270) 1.733 4.924 ( -3.299 2.451 3.092) 5.143 5.007 ( -4.362 1.155 -2.316) 5.072 5.178 ( -1.313 -3.143 6.866) 7.665 5.286 ( -3.721 -0.716 0.528) 3.826 5.441 ( -0.987 -2.665 -0.735) 2.936 5.475 ( 3.703 -4.086 -1.254) 5.655 5.751 ( 1.499 -0.782 1.384) 2.185 5.832 ( 0.638 -1.249 -2.417) 2.794 5.864 ( 2.517 0.269 1.437) 2.911 5.925 ( 1.539 -0.314 0.088) 1.573 5.978 ( 3.232 0.358 -1.441) 3.557 5.991 ( 3.632 -0.540 -0.923) 3.786 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -9.702 3.139 3.993) 10.951 1.229 ( -12.513 -0.362 -0.302) 12.522 1.467 ( -9.623 1.842 -2.189) 10.039 1.525 ( -9.066 -0.428 -3.787) 9.834 1.652 ( -5.842 -2.528 0.357) 6.375 1.703 ( -6.646 -1.714 -2.982) 7.483 1.797 ( -7.471 -3.090 0.972) 8.143 1.857 ( -2.998 -3.881 -0.786) 4.967 1.904 ( 1.183 -1.274 5.424) 5.696 1.945 ( 0.049 -0.344 0.763) 0.838 2.069 ( 2.596 -9.554 1.663) 10.039 2.110 ( 0.415 1.950 4.833) 5.228 2.322 ( -5.951 2.153 -1.857) 6.595 2.375 ( -11.218 0.800 2.022) 11.427 2.441 ( -6.368 -0.007 -1.631) 6.574 2.562 ( -0.591 0.685 -5.299) 5.376 2.651 ( -4.638 3.434 1.058) 5.867 2.676 ( -11.186 1.753 -2.026) 11.502 2.740 ( -4.750 0.231 -9.226) 10.380 2.818 ( -1.704 -0.521 -5.495) 5.777 3.014 ( -5.263 0.452 4.053) 6.658 3.084 ( -1.099 1.916 0.311) 2.230 3.156 ( -3.911 -0.827 4.760) 6.216 3.252 ( 2.471 2.620 3.332) 4.907 3.313 ( -2.413 1.372 2.073) 3.465 3.448 ( 1.330 1.566 -0.968) 2.272 4.142 ( -5.597 -0.001 0.561) 5.625 4.164 ( -4.447 0.162 -0.469) 4.474 4.278 ( 1.092 0.996 0.778) 1.670 4.310 ( 0.797 -0.694 -0.669) 1.251 4.524 ( -0.607 -0.776 2.656) 2.833 4.588 ( 4.589 -0.372 1.960) 5.004 4.663 ( 0.597 1.549 -4.337) 4.644 4.684 ( -0.354 0.225 -1.272) 1.340 4.803 ( -4.303 0.678 2.635) 5.091 4.845 ( -2.230 -1.092 -1.479) 2.890 4.868 ( 1.008 -0.926 -1.534) 2.056 4.913 ( -0.321 0.142 -4.243) 4.258 5.201 ( 2.344 -3.436 6.773) 7.949 5.246 ( -0.756 -0.537 1.342) 1.631 5.470 ( 1.848 -4.226 0.702) 4.666 5.572 ( 3.970 -4.498 -1.490) 6.182 5.783 ( 1.271 -1.203 1.064) 2.048 5.850 ( 0.502 -1.154 -2.038) 2.395 5.894 ( 0.806 0.572 1.454) 1.758 5.935 ( -0.609 -0.345 0.400) 0.806 6.033 ( 3.100 1.366 -0.885) 3.502 6.063 ( 3.871 -0.264 -1.573) 4.186 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -13.307 3.259 5.859) 14.900 0.997 ( -8.889 8.074 5.692) 13.289 1.248 ( -10.518 6.210 -4.229) 12.926 1.367 ( -7.722 0.497 -4.051) 8.734 1.534 ( -7.975 -4.223 -3.387) 9.639 1.591 ( -7.366 -1.610 -5.268) 9.198 1.716 ( -3.238 -2.243 2.788) 4.826 1.787 ( -6.478 -0.053 -0.158) 6.480 1.895 ( -8.050 1.506 6.334) 10.353 1.940 ( -1.793 0.167 6.234) 6.489 1.970 ( -12.763 2.020 1.088) 12.967 2.046 ( -14.457 0.100 -0.990) 14.491 2.102 ( -4.666 -2.177 2.350) 5.660 2.210 ( -4.375 -3.111 1.808) 5.664 2.257 ( -6.642 -4.273 -1.368) 8.016 2.442 ( -8.525 1.412 -4.812) 9.890 2.573 ( 1.284 2.647 1.441) 3.275 2.654 ( 1.901 -0.939 -7.274) 7.577 2.714 ( 0.781 0.127 -8.518) 8.555 2.829 ( 0.384 0.293 -7.885) 7.900 2.932 ( -2.899 -2.299 5.564) 6.682 3.060 ( -4.243 -0.892 0.034) 4.336 3.108 ( 1.267 1.045 4.855) 5.125 3.264 ( -1.743 -2.463 -0.511) 3.060 3.307 ( 3.358 1.902 7.496) 8.431 3.483 ( 3.260 2.006 -1.024) 3.962 3.994 ( -11.549 -1.116 1.321) 11.678 4.064 ( -7.061 -1.329 -1.771) 7.400 4.257 ( -3.564 -0.869 0.502) 3.703 4.298 ( -3.249 -2.552 -1.574) 4.421 4.455 ( -5.148 3.984 2.195) 6.869 4.532 ( -6.640 1.295 -1.491) 6.927 4.621 ( -6.014 -0.328 1.888) 6.311 4.690 ( 3.815 1.834 1.277) 4.421 4.788 ( 0.694 0.478 -4.239) 4.322 4.829 ( 2.149 -1.712 -5.342) 6.007 4.918 ( 3.383 -1.798 1.712) 4.196 4.986 ( 4.875 -0.077 -1.142) 5.008 5.255 ( 1.574 0.071 2.003) 2.549 5.306 ( 6.156 -1.914 1.832) 6.702 5.545 ( 3.575 -3.796 3.339) 6.192 5.671 ( 4.074 -3.630 0.055) 5.457 5.810 ( 0.926 -1.318 0.695) 1.754 5.862 ( 0.082 -0.714 -1.645) 1.795 5.890 ( -0.770 0.453 1.133) 1.443 5.914 ( -1.673 -1.241 0.662) 2.186 6.081 ( 3.009 2.551 0.197) 3.949 6.145 ( 4.862 0.458 -2.149) 5.335 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -9.448 9.860 7.591) 15.624 0.804 ( -5.359 13.401 11.530) 18.473 1.031 ( -6.841 10.736 -6.365) 14.232 1.202 ( -8.808 5.397 -6.338) 12.119 1.293 ( -19.414 15.675 5.985) 25.660 1.450 ( -3.639 -5.730 -4.171) 7.967 1.540 ( -9.782 -0.761 1.432) 9.916 1.679 ( -9.842 -3.637 -3.063) 10.931 1.723 ( -0.903 -2.061 3.096) 3.827 1.813 ( -4.225 0.377 -1.488) 4.495 1.824 ( -7.281 -2.006 3.585) 8.360 1.974 ( -7.287 -6.429 4.718) 10.803 1.982 ( -0.478 -4.693 7.123) 8.543 2.158 ( -0.160 0.649 -3.570) 3.632 2.253 ( -0.531 0.984 -5.476) 5.589 2.351 ( -1.725 -5.042 -6.405) 8.332 2.613 ( 3.533 0.899 2.666) 4.516 2.692 ( 1.802 -0.372 -5.378) 5.684 2.737 ( 1.378 -0.146 -6.582) 6.726 2.778 ( -3.890 0.195 -3.565) 5.280 2.956 ( -0.102 -3.433 2.868) 4.474 2.981 ( -2.314 -2.257 1.204) 3.449 3.136 ( 1.810 1.435 5.117) 5.614 3.263 ( 0.506 -1.488 2.074) 2.602 3.367 ( 2.760 -1.626 4.288) 5.352 3.527 ( 2.213 3.439 -1.554) 4.375 3.712 ( -16.399 -0.267 1.727) 16.492 3.867 ( -16.414 -4.152 -6.303) 18.067 4.187 ( -3.223 -0.852 0.160) 3.338 4.217 ( -5.801 -2.935 -2.001) 6.802 4.357 ( -2.741 1.375 1.390) 3.367 4.421 ( -3.525 0.648 -1.892) 4.053 4.560 ( -1.083 1.550 5.145) 5.481 4.730 ( 1.829 2.703 1.020) 3.419 4.782 ( 0.174 3.860 -5.921) 7.070 4.873 ( 1.348 -0.113 -6.189) 6.335 5.002 ( 3.197 -3.524 2.864) 5.554 5.070 ( 3.346 -1.154 -0.161) 3.543 5.286 ( 1.349 0.358 1.876) 2.338 5.414 ( 3.902 0.353 -3.237) 5.082 5.652 ( 5.816 -3.111 6.295) 9.118 5.756 ( 3.143 -1.323 1.805) 3.858 5.830 ( 0.372 -0.897 0.776) 1.243 5.847 ( -1.852 0.062 0.127) 1.857 5.881 ( 0.161 -1.261 0.373) 1.325 5.900 ( -1.100 -2.866 0.394) 3.095 6.116 ( 2.274 2.651 2.253) 4.156 6.238 ( 5.078 0.433 -2.729) 5.781 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 13.349 10.677) 17.094 0.648 ( 0.000 19.962 9.395) 22.062 0.875 ( 0.000 16.283 1.548) 16.357 0.971 ( 0.000 17.991 11.194) 21.189 1.044 ( 0.000 7.770 -9.835) 12.533 1.440 ( -0.000 -1.173 4.624) 4.770 1.487 ( -0.000 -10.537 -7.274) 12.804 1.573 ( -0.000 -3.038 -2.600) 3.999 1.726 ( -0.000 -1.421 1.867) 2.346 1.769 ( -0.000 -2.745 1.198) 2.995 1.782 ( 0.000 0.074 -0.877) 0.880 1.937 ( -0.000 -3.147 0.118) 3.149 2.010 ( -0.000 -7.007 8.670) 11.147 2.146 ( 0.000 3.679 -4.742) 6.001 2.246 ( -0.000 -2.000 -5.367) 5.728 2.381 ( -0.000 -5.946 -3.926) 7.125 2.654 ( 0.000 2.261 -2.478) 3.355 2.720 ( -0.000 -1.220 0.158) 1.231 2.727 ( -0.000 -1.798 -0.151) 1.804 2.763 ( -0.000 -0.254 -7.128) 7.132 2.933 ( -0.000 -3.096 3.428) 4.619 3.014 ( -0.000 -3.173 -0.935) 3.308 3.156 ( 0.000 0.613 6.646) 6.674 3.281 ( 0.000 1.793 4.051) 4.430 3.413 ( -0.000 -3.774 1.612) 4.104 3.513 ( 0.000 0.974 0.102) 0.979 3.518 ( 0.000 0.739 -0.118) 0.748 3.620 ( 0.000 5.010 -6.319) 8.064 4.160 ( -0.000 -0.770 0.001) 0.770 4.166 ( -0.000 -1.020 -0.289) 1.060 4.332 ( -0.000 -0.292 1.552) 1.579 4.393 ( -0.000 -0.547 -1.256) 1.370 4.536 ( 0.000 3.027 5.415) 6.204 4.731 ( 0.000 2.933 0.152) 2.937 4.757 ( 0.000 5.675 -5.450) 7.868 4.882 ( 0.000 0.862 -6.543) 6.600 5.056 ( -0.000 -4.372 2.991) 5.297 5.113 ( -0.000 -2.191 0.031) 2.191 5.296 ( 0.000 0.409 1.785) 1.831 5.443 ( 0.000 1.586 -4.233) 4.521 5.755 ( -0.000 -4.452 5.379) 6.983 5.791 ( 0.000 0.253 0.465) 0.529 5.812 ( 0.000 0.235 -0.465) 0.521 5.841 ( -0.000 -0.461 0.554) 0.720 5.891 ( -0.000 -0.238 -0.294) 0.378 5.906 ( -0.000 -4.823 3.302) 5.845 6.134 ( 0.000 0.159 5.125) 5.128 6.303 ( -0.000 -0.963 -3.467) 3.598 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.723 -0.000 -4.099) 4.162 1.643 ( 5.282 -0.000 -3.048) 6.099 1.741 ( -1.422 0.000 -0.038) 1.422 1.755 ( -0.920 0.000 -0.425) 1.013 1.795 ( 0.484 -0.000 0.786) 0.924 1.817 ( -0.979 0.000 -0.398) 1.057 1.976 ( 1.108 -0.000 3.603) 3.769 2.053 ( 0.296 -0.000 -2.137) 2.157 2.082 ( 2.193 -0.000 1.134) 2.469 2.095 ( 2.712 -0.000 0.381) 2.738 2.154 ( -7.239 0.000 2.075) 7.531 2.222 ( -5.986 0.000 -0.758) 6.034 2.328 ( -2.747 0.000 6.568) 7.120 2.346 ( -5.077 0.000 3.709) 6.287 2.512 ( 4.449 -0.000 -0.881) 4.535 2.535 ( -2.064 0.000 -1.464) 2.530 2.725 ( -0.506 0.000 -10.293) 10.306 2.735 ( -4.148 0.000 -8.679) 9.619 2.964 ( 3.979 -0.000 0.046) 3.979 2.974 ( 6.856 -0.000 -0.780) 6.901 3.126 ( 0.903 -0.000 1.112) 1.432 3.144 ( 2.078 -0.000 -0.096) 2.080 3.243 ( 0.252 -0.000 8.850) 8.854 3.258 ( -0.382 0.000 6.072) 6.084 3.529 ( 8.841 -0.000 -0.764) 8.874 3.600 ( 3.980 -0.000 -2.845) 4.892 4.199 ( 1.104 -0.000 1.004) 1.492 4.234 ( 0.603 -0.000 -0.610) 0.858 4.342 ( 1.054 -0.000 0.335) 1.106 4.353 ( 0.742 -0.000 -0.226) 0.776 4.437 ( -0.108 0.000 2.492) 2.494 4.576 ( -0.426 0.000 -4.321) 4.342 4.695 ( -5.156 0.000 2.113) 5.572 4.754 ( -2.203 0.000 -1.119) 2.471 4.788 ( 5.516 -0.000 2.068) 5.891 4.844 ( 4.458 -0.000 -0.433) 4.479 4.869 ( -0.794 0.000 0.901) 1.201 4.990 ( -3.638 0.000 -5.821) 6.865 5.260 ( -0.550 0.000 5.831) 5.857 5.344 ( -6.218 0.000 1.080) 6.311 5.506 ( 4.264 -0.000 0.437) 4.287 5.538 ( 0.319 -0.000 -0.752) 0.817 5.730 ( -1.777 0.000 1.465) 2.303 5.749 ( -1.553 0.000 1.666) 2.278 5.837 ( -2.081 0.000 -1.972) 2.867 5.837 ( -2.959 0.000 -1.230) 3.205 5.853 ( -1.084 0.000 -0.493) 1.191 5.890 ( -1.439 0.000 -2.021) 2.481 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -3.429 0.047 -1.609) 3.788 1.665 ( -2.685 0.006 -2.765) 3.854 1.744 ( 0.780 0.119 1.169) 1.411 1.758 ( 0.775 -0.075 -0.024) 0.779 1.792 ( -4.145 0.749 -0.563) 4.249 1.836 ( 3.972 0.162 -1.190) 4.149 1.873 ( -5.758 1.548 1.684) 6.195 1.931 ( -6.424 -0.862 1.749) 6.713 2.089 ( -3.306 0.934 -1.262) 3.660 2.091 ( -2.285 0.074 -1.327) 2.644 2.146 ( -0.916 -0.386 1.786) 2.043 2.206 ( -0.020 4.508 0.925) 4.602 2.265 ( 1.019 -1.621 4.640) 5.019 2.274 ( -4.032 -5.809 4.209) 8.229 2.504 ( -1.581 -1.494 -5.842) 6.234 2.571 ( 1.875 -1.548 0.049) 2.432 2.681 ( -1.181 0.863 -10.713) 10.812 2.716 ( -0.320 -1.351 -5.446) 5.620 2.995 ( -1.732 0.542 1.515) 2.364 3.039 ( 3.411 -0.075 0.912) 3.531 3.202 ( 4.173 1.548 1.367) 4.656 3.222 ( 4.733 1.924 1.699) 5.384 3.241 ( -0.993 -0.523 6.004) 6.108 3.269 ( 4.099 0.790 4.819) 6.376 3.593 ( -0.544 4.604 -0.923) 4.727 3.651 ( -0.871 -4.476 -2.814) 5.358 4.220 ( 1.156 0.527 0.679) 1.441 4.243 ( 0.369 0.194 -0.454) 0.616 4.327 ( -2.294 0.289 0.699) 2.416 4.346 ( -1.192 0.279 -0.238) 1.247 4.446 ( 0.458 -1.331 2.564) 2.925 4.545 ( -3.534 -0.079 -0.122) 3.537 4.611 ( -2.318 -0.627 -1.695) 2.939 4.698 ( -3.690 -0.309 -3.509) 5.101 4.834 ( -0.970 0.027 0.295) 1.015 4.868 ( -4.798 0.376 -0.969) 4.910 4.914 ( 5.051 0.218 2.469) 5.627 4.965 ( 4.699 -0.035 -0.563) 4.733 5.246 ( -3.799 0.201 2.267) 4.429 5.279 ( 1.983 -0.505 1.292) 2.420 5.497 ( -4.499 -0.018 0.948) 4.598 5.540 ( -1.593 -0.048 -0.785) 1.776 5.701 ( -0.338 0.030 1.465) 1.504 5.755 ( 1.865 -0.156 1.129) 2.185 5.811 ( -0.564 -0.083 -2.542) 2.605 5.824 ( 1.475 -0.128 -0.065) 1.482 5.859 ( 1.837 0.033 -0.207) 1.849 5.883 ( 0.748 -0.018 -2.217) 2.340 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -6.280 0.164 0.200) 6.285 1.563 ( -7.988 -0.515 -1.720) 8.187 1.661 ( -4.219 -1.480 1.285) 4.652 1.743 ( -4.898 -2.018 -0.644) 5.337 1.752 ( -1.357 -0.803 4.626) 4.887 1.816 ( -1.903 -0.318 -0.075) 1.931 1.875 ( 2.260 0.912 -2.800) 3.713 1.929 ( 1.940 0.773 -2.591) 3.327 1.972 ( -6.182 0.658 -0.499) 6.236 2.035 ( -4.121 -1.810 -2.087) 4.961 2.065 ( -8.079 -1.366 2.060) 8.449 2.158 ( -2.883 -0.125 1.672) 3.335 2.200 ( -0.622 0.248 6.818) 6.850 2.394 ( 6.205 -1.034 -0.963) 6.364 2.494 ( 0.140 -0.319 -5.618) 5.629 2.608 ( 1.225 -0.629 1.704) 2.191 2.669 ( -0.063 0.271 -12.434) 12.437 2.744 ( 2.050 -1.927 -3.490) 4.483 2.961 ( -1.428 0.089 2.031) 2.484 3.080 ( 0.135 0.600 -1.839) 1.939 3.205 ( -2.037 -0.167 8.592) 8.832 3.241 ( -1.608 0.195 5.839) 6.060 3.261 ( 2.301 2.013 3.327) 4.519 3.357 ( 2.974 2.803 0.795) 4.163 3.497 ( -5.224 4.764 -2.072) 7.367 3.582 ( -7.775 -1.537 -3.730) 8.759 4.233 ( 0.690 1.584 0.668) 1.853 4.250 ( 0.707 -0.017 -0.324) 0.778 4.284 ( -1.534 -0.775 1.115) 2.049 4.314 ( -1.766 0.891 -0.359) 2.010 4.442 ( -1.567 1.162 2.486) 3.160 4.497 ( -0.967 -3.471 1.981) 4.112 4.597 ( -0.440 -0.184 -4.782) 4.805 4.642 ( -1.589 -2.061 -4.928) 5.573 4.790 ( -2.232 0.402 1.596) 2.773 4.818 ( -0.672 -0.523 -0.336) 0.916 4.975 ( 1.347 1.217 3.840) 4.248 5.038 ( 1.710 -0.356 -0.074) 1.748 5.192 ( -2.294 -0.093 3.047) 3.816 5.323 ( 0.885 -1.504 -2.458) 3.015 5.405 ( -3.607 -0.514 2.339) 4.330 5.473 ( -4.179 -0.504 -1.162) 4.367 5.716 ( 1.331 -0.163 1.368) 1.916 5.804 ( 2.110 -0.318 -0.858) 2.299 5.813 ( 1.355 -0.251 -0.510) 1.469 5.874 ( 3.015 -0.267 0.118) 3.030 5.915 ( 3.580 -0.098 -0.497) 3.616 5.919 ( 2.903 -0.139 -1.733) 3.384 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -7.826 1.369 0.667) 7.973 1.413 ( -9.010 -1.361 -2.018) 9.333 1.601 ( -4.051 -1.095 -0.595) 4.238 1.625 ( -7.046 -4.817 -2.422) 8.872 1.747 ( -2.861 0.132 5.447) 6.154 1.800 ( -6.435 -3.006 4.375) 8.342 1.830 ( 0.781 -0.812 0.736) 1.345 1.860 ( -5.626 -0.842 -0.038) 5.689 1.911 ( -7.109 -2.902 3.811) 8.573 1.928 ( -2.775 -2.025 -4.316) 5.516 1.987 ( -2.255 1.827 -3.208) 4.326 2.120 ( -0.085 -2.755 -0.570) 2.815 2.271 ( 7.418 3.300 2.426) 8.474 2.469 ( -0.782 -3.249 1.457) 3.645 2.518 ( 3.250 4.709 -4.350) 7.188 2.613 ( -1.095 0.613 0.031) 1.255 2.670 ( 0.128 -0.732 -11.150) 11.175 2.772 ( -1.292 -0.996 -7.117) 7.302 2.919 ( -4.492 0.260 1.610) 4.779 2.981 ( -10.315 0.893 -1.065) 10.408 3.133 ( -7.457 0.486 8.453) 11.282 3.182 ( -1.353 -0.838 10.296) 10.418 3.259 ( -2.979 3.233 1.204) 4.558 3.296 ( -4.451 3.927 -0.063) 5.936 3.407 ( -4.567 2.254 -2.392) 5.627 3.461 ( -1.316 1.048 -2.785) 3.254 4.228 ( -1.608 0.998 0.947) 2.116 4.253 ( -3.167 0.972 -0.191) 3.319 4.269 ( 0.887 0.054 0.031) 0.889 4.281 ( 0.285 0.510 -0.110) 0.594 4.445 ( 3.830 0.068 2.754) 4.718 4.513 ( -0.069 -3.941 2.248) 4.538 4.612 ( 2.957 0.756 -5.307) 6.122 4.662 ( 1.100 -2.645 -4.584) 5.406 4.788 ( 2.100 -0.565 0.600) 2.256 4.820 ( 0.481 -1.016 -0.709) 1.329 4.949 ( -3.220 2.140 3.840) 5.449 5.014 ( -4.519 -0.030 -0.508) 4.547 5.152 ( -2.154 -1.617 5.677) 6.284 5.279 ( -3.582 -0.597 0.341) 3.648 5.419 ( -1.257 -1.372 -1.165) 2.195 5.435 ( 3.101 -3.041 -1.557) 4.614 5.744 ( 1.380 -0.441 1.293) 1.942 5.821 ( 0.718 -0.730 -2.342) 2.556 5.867 ( 2.742 0.235 1.468) 3.120 5.922 ( 1.642 -0.223 0.181) 1.667 5.981 ( 3.525 0.178 -1.551) 3.855 5.985 ( 3.506 -0.562 -0.749) 3.629 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -10.054 1.882 2.256) 10.474 1.246 ( -7.394 3.323 -1.134) 8.185 1.488 ( -7.576 1.878 -2.491) 8.194 1.510 ( -8.094 -2.070 -3.084) 8.906 1.629 ( -6.836 -1.596 1.370) 7.152 1.679 ( -8.507 -2.316 -1.242) 8.904 1.761 ( -6.666 -3.447 1.260) 7.610 1.808 ( -3.753 -4.453 0.368) 5.835 1.887 ( 1.272 -2.614 7.623) 8.158 1.914 ( -0.190 -7.245 0.257) 7.252 2.011 ( 4.545 1.459 -0.890) 4.856 2.129 ( 0.422 1.460 3.395) 3.720 2.343 ( -4.281 1.562 -2.308) 5.108 2.380 ( -12.313 0.392 0.985) 12.358 2.452 ( -8.284 1.816 -1.545) 8.621 2.562 ( -3.000 -0.749 -5.930) 6.688 2.667 ( -2.260 0.615 -2.565) 3.474 2.702 ( -4.349 0.308 -5.823) 7.274 2.746 ( -7.726 1.820 -0.813) 7.979 2.825 ( -3.361 1.999 -4.391) 5.880 3.025 ( -5.669 1.468 5.645) 8.134 3.106 ( -3.445 2.139 -0.084) 4.056 3.149 ( -3.109 -0.123 5.425) 6.254 3.270 ( -1.019 0.145 -0.270) 1.064 3.328 ( -1.917 1.644 3.606) 4.402 3.461 ( 1.052 0.782 -1.160) 1.750 4.144 ( -6.194 0.359 0.687) 6.243 4.170 ( -4.679 1.133 -0.548) 4.845 4.282 ( -0.148 -0.254 0.330) 0.442 4.295 ( -0.406 -1.849 -0.254) 1.910 4.516 ( 0.646 -0.565 2.678) 2.812 4.583 ( 7.549 -0.575 2.192) 7.882 4.675 ( -0.645 0.575 -5.349) 5.418 4.686 ( 2.563 -0.013 -1.428) 2.934 4.810 ( -4.706 0.348 1.517) 4.957 4.838 ( -5.776 -0.162 -0.242) 5.784 4.862 ( 2.660 -0.032 -1.122) 2.887 4.913 ( -0.624 -0.243 -3.530) 3.593 5.159 ( 2.106 -3.823 8.369) 9.439 5.240 ( -0.639 -0.479 1.421) 1.630 5.436 ( 2.166 -2.064 -0.450) 3.026 5.526 ( 4.251 -3.711 -2.310) 6.098 5.772 ( 1.226 -0.745 1.165) 1.848 5.840 ( 0.776 -0.704 -1.992) 2.251 5.900 ( 0.821 0.474 1.441) 1.725 5.933 ( -0.641 -0.156 0.481) 0.817 6.045 ( 3.619 0.861 -1.156) 3.895 6.058 ( 4.033 -0.565 -1.256) 4.261 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -10.440 4.493 3.550) 11.908 1.098 ( -4.551 10.008 2.972) 11.389 1.312 ( -8.583 4.984 -4.806) 11.027 1.362 ( -7.245 -0.614 -1.811) 7.493 1.495 ( -8.217 -2.745 -1.901) 8.869 1.562 ( -5.711 -3.478 -4.480) 8.049 1.692 ( -2.659 -2.172 2.151) 4.051 1.765 ( -4.795 -4.236 -1.054) 6.484 1.886 ( -5.644 -1.510 6.355) 8.633 1.929 ( 1.201 -1.530 5.752) 6.072 2.012 ( -18.932 1.676 0.394) 19.010 2.042 ( -16.046 -0.388 0.031) 16.051 2.093 ( -2.662 0.681 1.470) 3.117 2.183 ( -1.924 -0.794 2.351) 3.140 2.220 ( -9.749 -2.088 0.140) 9.972 2.456 ( -10.183 0.565 -5.999) 11.833 2.611 ( -0.846 4.309 2.047) 4.845 2.650 ( 2.135 0.461 -5.485) 5.904 2.715 ( 0.735 0.020 -9.290) 9.319 2.828 ( 2.070 -0.495 -6.140) 6.498 2.916 ( -4.589 -0.500 4.809) 6.666 3.052 ( -4.955 -0.754 -0.840) 5.082 3.121 ( 1.573 1.145 3.177) 3.726 3.228 ( -2.973 -3.944 -1.453) 5.148 3.332 ( 2.299 2.476 8.595) 9.235 3.497 ( 3.216 0.643 -0.902) 3.401 3.983 ( -11.852 -0.925 1.421) 11.972 4.051 ( -8.722 -0.992 -1.649) 8.932 4.246 ( -3.819 -1.068 0.228) 3.972 4.267 ( -4.091 -2.921 -0.821) 5.094 4.496 ( -5.005 3.356 1.707) 6.264 4.545 ( -6.679 0.972 -0.818) 6.799 4.619 ( -6.974 -0.009 2.242) 7.326 4.709 ( 4.711 1.731 1.372) 5.204 4.785 ( 3.444 -1.276 -0.681) 3.736 4.811 ( 1.380 -1.265 -6.109) 6.390 4.905 ( 2.868 -0.397 0.701) 2.979 4.994 ( 5.400 1.446 -2.127) 5.981 5.254 ( 1.616 -0.359 1.865) 2.493 5.272 ( 6.622 -4.012 3.593) 8.535 5.514 ( 4.612 -1.825 1.307) 5.129 5.632 ( 4.718 -3.462 -0.842) 5.912 5.798 ( 0.967 -0.987 0.934) 1.668 5.855 ( 0.268 -0.507 -1.751) 1.842 5.895 ( -0.870 0.376 1.175) 1.510 5.905 ( -2.099 -0.451 0.867) 2.315 6.107 ( 3.595 2.161 -0.357) 4.210 6.146 ( 5.047 -0.098 -1.804) 5.361 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -6.532 8.998 5.722) 12.505 0.970 ( -1.209 16.300 6.208) 17.484 1.139 ( -5.313 8.135 -6.779) 11.847 1.246 ( -5.266 2.551 -3.820) 6.988 1.378 ( -6.486 -1.432 -2.104) 6.968 1.445 ( -7.539 5.037 -2.565) 9.423 1.541 ( -13.323 0.551 1.466) 13.415 1.657 ( -9.998 -0.559 -2.812) 10.401 1.702 ( -4.339 -1.548 4.301) 6.302 1.790 ( -3.885 -3.188 1.383) 5.213 1.821 ( -7.797 1.174 3.654) 8.690 1.882 ( -9.856 -6.641 9.412) 15.160 1.968 ( 0.003 -0.849 4.055) 4.143 2.123 ( -2.798 -5.211 -2.628) 6.472 2.255 ( 0.593 -3.240 1.179) 3.498 2.331 ( -1.313 2.502 -12.130) 12.455 2.620 ( 3.195 0.341 4.271) 5.345 2.686 ( 1.334 -0.636 -4.442) 4.681 2.736 ( 1.204 -0.088 -8.324) 8.411 2.787 ( -4.183 1.467 -5.216) 6.845 2.925 ( 1.122 -2.011 1.691) 2.857 2.954 ( -4.233 -3.052 0.793) 5.279 3.150 ( 1.506 0.735 3.608) 3.979 3.228 ( 0.680 -3.768 -0.859) 3.924 3.368 ( 2.384 1.191 8.828) 9.221 3.553 ( 2.181 1.327 -1.622) 3.025 3.710 ( -15.370 -0.211 1.633) 15.458 3.825 ( -15.781 -3.523 -3.748) 16.598 4.180 ( -3.037 -0.588 0.031) 3.093 4.192 ( -4.268 -1.793 -0.743) 4.689 4.367 ( -4.583 0.409 1.304) 4.782 4.424 ( -4.705 -0.155 -1.428) 4.920 4.584 ( 0.742 2.546 4.854) 5.531 4.758 ( 1.876 2.166 0.967) 3.025 4.815 ( 0.894 2.283 -4.261) 4.916 4.863 ( 1.819 -1.527 -4.840) 5.391 4.972 ( 2.983 -1.755 2.184) 4.093 5.070 ( 3.324 1.290 -0.719) 3.638 5.289 ( 1.535 0.179 1.826) 2.392 5.405 ( 4.499 -2.245 -2.880) 5.795 5.622 ( 5.419 -2.088 4.101) 7.109 5.736 ( 4.231 -2.581 1.633) 5.218 5.817 ( 0.323 -1.336 0.760) 1.571 5.845 ( -1.737 -0.437 -0.637) 1.901 5.862 ( -1.894 -1.009 1.882) 2.854 5.889 ( -0.015 -0.185 -0.308) 0.360 6.150 ( 2.383 3.254 0.914) 4.136 6.240 ( 4.523 0.040 -2.608) 5.221 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 11.300 8.536) 14.161 0.868 ( 0.000 19.820 5.874) 20.672 1.035 ( 0.000 11.963 -7.583) 14.164 1.136 ( 0.000 8.624 -6.802) 10.984 1.184 ( 0.000 18.909 8.767) 20.842 1.397 ( -0.000 -5.039 -4.924) 7.045 1.423 ( -0.000 -1.841 3.262) 3.746 1.540 ( -0.000 -2.792 -3.039) 4.126 1.709 ( -0.000 -1.726 2.563) 3.090 1.729 ( -0.000 -4.791 3.989) 6.234 1.777 ( -0.000 -1.236 -0.952) 1.560 1.838 ( -0.000 -9.851 9.442) 13.645 1.977 ( -0.000 -1.223 4.022) 4.204 2.132 ( -0.000 -7.140 -3.633) 8.011 2.274 ( 0.000 2.225 -3.058) 3.782 2.311 ( -0.000 -1.609 -11.403) 11.516 2.691 ( 0.000 3.752 -0.102) 3.754 2.703 ( -0.000 -1.998 0.112) 2.001 2.708 ( -0.000 -1.651 -0.096) 1.654 2.759 ( -0.000 -0.508 -8.472) 8.487 2.898 ( -0.000 -3.371 2.758) 4.355 2.979 ( -0.000 -3.010 -1.120) 3.212 3.166 ( 0.000 0.638 5.167) 5.206 3.268 ( -0.000 -3.398 -1.450) 3.695 3.398 ( 0.000 0.768 8.400) 8.435 3.525 ( 0.000 1.156 0.037) 1.157 3.527 ( 0.000 0.878 -0.055) 0.880 3.652 ( 0.000 1.151 -4.525) 4.669 4.152 ( -0.000 -0.664 -0.054) 0.666 4.155 ( -0.000 -0.965 -0.178) 0.981 4.327 ( -0.000 -0.621 1.448) 1.576 4.385 ( -0.000 -0.926 -1.206) 1.521 4.575 ( 0.000 3.706 4.987) 6.213 4.762 ( 0.000 2.577 0.664) 2.661 4.807 ( 0.000 3.590 -4.641) 5.867 4.885 ( -0.000 -0.498 -5.502) 5.524 5.015 ( -0.000 -2.853 2.341) 3.691 5.099 ( -0.000 -0.026 -0.394) 0.395 5.301 ( 0.000 0.518 1.654) 1.734 5.453 ( -0.000 -0.180 -5.065) 5.069 5.707 ( -0.000 -4.015 5.422) 6.747 5.794 ( 0.000 0.305 0.460) 0.552 5.815 ( 0.000 0.282 -0.460) 0.540 5.828 ( -0.000 -3.065 1.574) 3.445 5.853 ( -0.000 -3.052 3.948) 4.991 5.891 ( -0.000 -0.055 -0.699) 0.701 6.156 ( 0.000 3.179 2.235) 3.886 6.293 ( -0.000 -0.750 -3.344) 3.427 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -5.814 0.000 0.340) 5.824 1.560 ( -9.066 0.000 -1.286) 9.157 1.653 ( -4.411 0.000 1.045) 4.533 1.731 ( -6.919 0.000 -0.841) 6.970 1.748 ( -0.532 0.000 5.138) 5.166 1.814 ( -1.343 0.000 0.059) 1.344 1.880 ( 1.974 -0.000 -3.242) 3.796 1.933 ( 0.874 -0.000 -2.465) 2.615 1.979 ( -3.231 0.000 -1.823) 3.710 2.022 ( -5.601 0.000 -1.741) 5.865 2.058 ( -8.351 0.000 2.236) 8.645 2.152 ( -7.043 0.000 2.679) 7.535 2.209 ( 3.725 -0.000 7.281) 8.178 2.381 ( 4.969 -0.000 -0.808) 5.034 2.499 ( 2.421 -0.000 -8.199) 8.549 2.601 ( 1.632 -0.000 1.332) 2.107 2.672 ( -0.274 0.000 -12.101) 12.104 2.733 ( 2.164 -0.000 -2.218) 3.099 2.962 ( -1.642 0.000 2.009) 2.595 3.084 ( 0.312 -0.000 -2.057) 2.080 3.204 ( -2.122 0.000 8.629) 8.886 3.241 ( -1.709 0.000 6.188) 6.420 3.273 ( 2.221 -0.000 4.061) 4.628 3.372 ( 2.266 -0.000 0.659) 2.360 3.537 ( -5.885 0.000 -3.252) 6.724 3.562 ( -6.300 0.000 -3.145) 7.042 4.246 ( 1.389 -0.000 0.028) 1.390 4.247 ( -0.022 0.000 -0.157) 0.158 4.279 ( -1.758 0.000 1.755) 2.484 4.320 ( -1.462 0.000 -0.446) 1.528 4.454 ( 0.679 -0.000 2.463) 2.555 4.472 ( -3.291 0.000 1.903) 3.802 4.594 ( 0.395 -0.000 -4.353) 4.371 4.632 ( -2.507 0.000 -5.544) 6.085 4.792 ( -2.431 0.000 1.596) 2.908 4.814 ( -0.788 0.000 -0.098) 0.794 4.982 ( 1.512 -0.000 4.113) 4.382 5.036 ( 1.655 -0.000 0.281) 1.679 5.192 ( -2.338 0.000 2.401) 3.351 5.314 ( 1.012 -0.000 -2.493) 2.690 5.402 ( -4.051 0.000 2.325) 4.671 5.470 ( -4.315 0.000 -1.164) 4.469 5.715 ( 1.291 -0.000 1.302) 1.833 5.802 ( 1.799 -0.000 -1.345) 2.247 5.811 ( 1.705 -0.000 0.021) 1.705 5.872 ( 3.029 -0.000 0.139) 3.033 5.914 ( 3.533 -0.000 -0.296) 3.546 5.918 ( 2.889 -0.000 -1.907) 3.462 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.631 0.844 0.729) 7.712 1.403 ( -7.346 -0.534 -2.078) 7.652 1.583 ( -7.133 -2.172 -1.511) 7.608 1.593 ( -3.053 -0.457 -0.734) 3.173 1.748 ( -0.085 -0.036 8.226) 8.227 1.778 ( -9.296 -0.992 2.374) 9.645 1.822 ( -1.011 -0.568 0.643) 1.326 1.853 ( -6.579 -0.383 -0.256) 6.595 1.890 ( -7.596 -0.693 3.380) 8.343 1.905 ( -6.676 -1.467 -3.770) 7.806 2.028 ( 0.469 4.433 -3.124) 5.443 2.081 ( 2.274 -4.183 -3.729) 6.047 2.312 ( 7.050 3.158 5.688) 9.593 2.430 ( 0.348 -2.942 0.355) 2.984 2.561 ( 2.632 2.684 -6.025) 7.102 2.611 ( -1.616 -0.715 -0.983) 2.022 2.668 ( 0.073 0.119 -10.160) 10.161 2.763 ( -0.860 -0.502 -5.998) 6.080 2.920 ( -3.604 0.005 1.531) 3.916 2.989 ( -10.499 0.397 -1.369) 10.595 3.136 ( -7.839 0.168 9.588) 12.386 3.176 ( -1.390 -0.330 9.871) 9.974 3.282 ( -1.181 1.057 2.091) 2.623 3.328 ( -4.501 1.617 -1.043) 4.896 3.420 ( -7.053 0.418 -2.477) 7.488 3.472 ( -1.311 0.635 -2.681) 3.051 4.236 ( -1.874 0.378 0.751) 2.054 4.262 ( -1.414 0.689 -0.028) 1.573 4.267 ( 0.540 -0.285 -0.006) 0.611 4.287 ( -1.275 0.370 -0.112) 1.332 4.451 ( 2.932 0.805 2.783) 4.122 4.478 ( 1.021 -2.296 2.354) 3.444 4.620 ( 2.724 0.832 -5.554) 6.242 4.635 ( 2.052 -1.937 -5.304) 6.008 4.786 ( 1.939 0.007 1.051) 2.205 4.811 ( 0.342 -0.538 -0.334) 0.720 4.968 ( -2.809 1.149 4.739) 5.628 5.009 ( -4.789 -0.585 0.678) 4.871 5.142 ( -2.874 -0.284 4.036) 4.963 5.274 ( -3.440 -0.253 0.122) 3.451 5.409 ( 1.005 -0.566 -1.512) 1.901 5.412 ( 0.522 -0.973 -1.439) 1.814 5.741 ( 1.319 -0.144 1.237) 1.813 5.816 ( 0.774 -0.239 -2.303) 2.442 5.869 ( 2.881 0.096 1.479) 3.240 5.920 ( 1.720 -0.080 0.218) 1.736 5.980 ( 3.349 -0.234 -0.614) 3.413 5.982 ( 3.717 0.051 -1.625) 4.057 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -9.318 1.419 0.702) 9.452 1.287 ( -4.331 3.373 -4.118) 6.863 1.483 ( -5.927 -1.696 -1.988) 6.477 1.512 ( -5.828 1.654 -0.728) 6.102 1.615 ( -7.271 -1.045 1.976) 7.607 1.661 ( -9.759 -0.686 0.434) 9.793 1.724 ( -6.177 -2.938 0.217) 6.843 1.766 ( -6.842 -3.511 -1.612) 7.858 1.808 ( 1.091 -7.020 9.582) 11.928 1.884 ( 1.608 -0.800 3.581) 4.006 2.045 ( 2.979 3.111 -1.698) 4.630 2.139 ( 1.890 0.318 -0.428) 1.964 2.358 ( -6.807 1.107 -0.333) 6.904 2.385 ( -9.368 0.454 0.020) 9.379 2.477 ( -9.484 2.585 -2.556) 10.157 2.544 ( -6.030 -2.435 -6.823) 9.426 2.672 ( -1.291 0.359 -3.561) 3.804 2.689 ( -1.371 -1.556 -4.938) 5.356 2.769 ( -7.586 1.643 1.566) 7.919 2.851 ( -2.926 2.094 -3.627) 5.109 3.042 ( -3.794 1.372 6.162) 7.366 3.123 ( -5.066 0.622 3.086) 5.964 3.164 ( -4.566 3.175 1.667) 5.806 3.254 ( -5.094 -2.815 -1.650) 6.049 3.346 ( -0.286 1.388 4.208) 4.440 3.465 ( 0.747 0.151 -1.176) 1.401 4.148 ( -6.754 0.442 0.908) 6.829 4.187 ( -5.073 1.804 -0.836) 5.449 4.269 ( -1.204 -2.220 0.109) 2.528 4.278 ( -1.218 -0.877 -0.079) 1.503 4.512 ( 2.251 -0.169 2.548) 3.404 4.577 ( 8.618 -0.388 2.360) 8.944 4.677 ( 0.217 0.041 -5.823) 5.827 4.684 ( 3.132 -0.202 -1.443) 3.455 4.809 ( -2.995 -0.314 0.252) 3.022 4.838 ( -8.019 -0.066 -0.385) 8.029 4.871 ( 2.351 1.610 0.012) 2.850 4.906 ( -0.362 -1.025 -1.871) 2.164 5.125 ( 1.234 -2.246 8.714) 9.083 5.236 ( -0.509 -0.296 1.428) 1.544 5.422 ( 2.446 -0.729 -1.103) 2.780 5.494 ( 4.547 -2.077 -2.820) 5.739 5.766 ( 1.189 -0.365 1.217) 1.740 5.835 ( 0.927 -0.334 -1.963) 2.197 5.904 ( 0.759 0.257 1.401) 1.614 5.932 ( -0.590 -0.031 0.448) 0.741 6.049 ( 4.013 -0.248 -1.021) 4.148 6.055 ( 4.132 0.236 -1.240) 4.320 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -8.471 4.037 1.403) 9.488 1.197 ( -2.274 6.614 -3.981) 8.047 1.340 ( -8.111 2.357 -0.017) 8.446 1.387 ( -5.097 4.027 -1.539) 6.676 1.475 ( -8.114 -0.615 -0.673) 8.165 1.523 ( -5.275 -3.206 -2.211) 6.557 1.667 ( -2.118 -2.639 0.354) 3.403 1.702 ( -3.994 -6.660 -1.031) 7.834 1.854 ( -1.894 -4.580 8.980) 10.257 1.914 ( 0.364 -1.194 5.060) 5.212 2.001 ( -21.388 -1.428 0.869) 21.453 2.052 ( -14.934 1.506 0.021) 15.010 2.101 ( -3.365 0.250 -1.016) 3.524 2.184 ( 1.522 0.175 0.554) 1.629 2.225 ( -14.866 2.854 2.405) 15.328 2.447 ( -8.082 -2.147 -7.712) 11.376 2.647 ( -1.241 0.882 3.082) 3.438 2.680 ( -0.771 5.286 -4.629) 7.069 2.717 ( 0.645 0.984 -7.736) 7.825 2.822 ( 2.558 -0.537 -4.624) 5.311 2.921 ( -5.481 1.292 3.412) 6.585 3.038 ( -6.425 -2.242 -1.941) 7.076 3.131 ( 0.911 0.646 2.426) 2.670 3.186 ( -2.526 -3.285 -0.536) 4.179 3.358 ( 1.852 2.085 7.349) 7.860 3.498 ( 2.684 -0.338 -0.699) 2.794 3.974 ( -12.166 -0.583 1.559) 12.279 4.043 ( -10.602 -0.599 -1.513) 10.726 4.235 ( -3.427 -1.014 -0.032) 3.574 4.238 ( -3.546 -2.129 -0.160) 4.140 4.526 ( -6.239 2.187 1.011) 6.688 4.552 ( -6.320 0.398 -0.424) 6.347 4.620 ( -6.960 0.120 2.419) 7.369 4.726 ( 4.996 1.288 1.403) 5.347 4.766 ( 4.359 -1.801 0.787) 4.782 4.800 ( 1.616 -0.749 -4.846) 5.163 4.907 ( 2.745 0.557 -0.472) 2.840 5.015 ( 6.616 2.348 -3.367) 7.786 5.219 ( 5.876 -4.783 5.320) 9.258 5.254 ( 2.115 -0.258 2.128) 3.012 5.502 ( 5.288 -0.506 -0.216) 5.316 5.599 ( 5.065 -2.412 -1.688) 5.858 5.789 ( 0.950 -0.589 1.117) 1.581 5.850 ( 0.363 -0.303 -1.802) 1.863 5.898 ( -0.921 0.129 1.162) 1.488 5.903 ( -2.254 -0.035 0.788) 2.387 6.127 ( 4.203 1.450 -0.713) 4.503 6.144 ( 5.263 -0.223 -1.308) 5.428 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -5.113 7.193 2.938) 9.301 1.131 ( -0.261 8.565 -4.353) 9.611 1.194 ( -4.639 5.830 0.113) 7.451 1.285 ( -2.796 5.256 -1.504) 6.141 1.360 ( -4.471 -1.280 -1.623) 4.926 1.465 ( -2.700 -0.766 -4.811) 5.570 1.541 ( -14.786 -0.708 1.265) 14.857 1.645 ( -3.614 -1.587 -1.462) 4.209 1.689 ( -13.803 -0.928 -0.149) 13.835 1.743 ( -2.673 -5.522 0.273) 6.141 1.825 ( -6.275 -2.941 8.487) 10.957 1.871 ( -9.961 4.584 7.698) 13.397 1.967 ( -1.735 0.973 5.543) 5.889 2.074 ( -5.498 -2.683 -2.946) 6.790 2.215 ( -1.385 -2.782 3.368) 4.583 2.362 ( 2.278 2.091 -9.142) 9.650 2.624 ( 1.462 0.607 4.736) 4.993 2.679 ( 0.467 -0.492 -3.368) 3.436 2.734 ( 1.060 -0.281 -9.501) 9.565 2.806 ( -3.824 1.651 -6.197) 7.467 2.907 ( -6.484 -5.650 0.059) 8.601 2.916 ( 1.849 0.406 -0.750) 2.036 3.145 ( 0.256 -1.468 3.117) 3.454 3.204 ( 2.429 -0.416 -0.715) 2.566 3.385 ( 2.174 1.854 9.036) 9.477 3.556 ( 2.153 -0.737 -1.319) 2.630 3.708 ( -14.460 -0.155 1.580) 14.547 3.792 ( -15.150 -2.506 -2.005) 15.486 4.175 ( -2.821 -0.335 -0.075) 2.842 4.177 ( -3.313 -0.990 -0.240) 3.466 4.368 ( -5.798 -0.076 1.203) 5.922 4.420 ( -5.551 -0.484 -1.193) 5.698 4.609 ( 1.462 1.969 4.318) 4.966 4.774 ( 1.565 0.780 1.383) 2.230 4.832 ( 1.234 0.231 -4.276) 4.457 4.847 ( 2.483 -0.566 -1.680) 3.051 4.963 ( 2.920 -0.010 1.362) 3.222 5.097 ( 3.625 3.417 -1.513) 5.207 5.289 ( 1.828 -0.029 1.691) 2.491 5.364 ( 4.812 -4.887 -1.190) 6.961 5.608 ( 5.113 -0.524 1.470) 5.346 5.703 ( 4.198 -2.983 0.690) 5.196 5.806 ( 0.213 -0.765 0.845) 1.159 5.840 ( -1.540 -0.310 -0.625) 1.690 5.858 ( -2.100 -0.064 1.305) 2.473 5.888 ( 0.086 -0.005 -0.031) 0.092 6.184 ( 2.784 2.765 0.241) 3.931 6.240 ( 4.356 -0.007 -2.041) 4.810 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 9.226 5.104) 10.544 1.073 ( 0.000 17.338 3.407) 17.669 1.116 ( 0.000 2.499 -9.386) 9.713 1.223 ( 0.000 6.984 -3.537) 7.828 1.307 ( 0.000 2.344 -1.105) 2.591 1.403 ( -0.000 -1.567 2.352) 2.826 1.412 ( 0.000 6.461 -3.401) 7.302 1.518 ( -0.000 -0.975 -3.708) 3.834 1.673 ( -0.000 -3.821 10.785) 11.442 1.689 ( -0.000 -2.065 2.633) 3.346 1.752 ( -0.000 -3.331 -0.839) 3.435 1.786 ( 0.000 1.003 9.556) 9.609 1.966 ( -0.000 -0.746 5.360) 5.411 2.037 ( -0.000 -8.552 -5.869) 10.372 2.225 ( -0.000 -4.941 3.325) 5.956 2.376 ( 0.000 6.256 -11.675) 13.245 2.681 ( -0.000 -1.871 0.222) 1.884 2.690 ( -0.000 -1.549 -0.190) 1.561 2.728 ( 0.000 2.828 -0.582) 2.888 2.753 ( -0.000 -0.543 -10.041) 10.056 2.851 ( -0.000 -5.751 0.320) 5.760 2.955 ( -0.000 -1.098 -2.183) 2.443 3.160 ( -0.000 -1.677 4.189) 4.512 3.242 ( -0.000 -0.721 -0.620) 0.951 3.412 ( 0.000 1.503 9.649) 9.766 3.537 ( 0.000 0.811 0.010) 0.811 3.537 ( 0.000 1.061 -0.030) 1.062 3.650 ( -0.000 -1.379 -2.982) 3.285 4.145 ( -0.000 -0.610 -0.075) 0.615 4.147 ( -0.000 -0.346 -0.108) 0.363 4.318 ( -0.000 -0.871 1.347) 1.604 4.374 ( -0.000 -1.154 -1.151) 1.630 4.611 ( 0.000 2.843 4.486) 5.311 4.783 ( 0.000 1.190 0.823) 1.447 4.838 ( 0.000 1.997 -3.146) 3.727 4.873 ( -0.000 -1.231 -3.542) 3.750 4.996 ( -0.000 -0.755 1.691) 1.852 5.114 ( 0.000 2.661 -0.901) 2.810 5.306 ( 0.000 0.412 1.561) 1.615 5.434 ( -0.000 -3.314 -4.392) 5.502 5.673 ( -0.000 -2.007 3.244) 3.815 5.777 ( -0.000 -4.927 2.504) 5.527 5.798 ( 0.000 0.287 0.454) 0.537 5.818 ( 0.000 0.264 -0.455) 0.526 5.840 ( -0.000 -0.445 1.915) 1.966 5.891 ( -0.000 -0.026 -0.448) 0.449 6.194 ( 0.000 3.472 0.971) 3.605 6.287 ( -0.000 -0.293 -2.720) 2.736 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -8.838 0.000 0.253) 8.842 1.307 ( -3.743 0.000 -6.943) 7.888 1.474 ( -3.774 0.000 0.352) 3.790 1.523 ( -5.248 0.000 -0.472) 5.269 1.608 ( -7.179 0.000 2.457) 7.587 1.661 ( -10.385 0.000 1.410) 10.480 1.706 ( -6.411 0.000 -0.526) 6.432 1.735 ( -7.997 0.000 -2.353) 8.336 1.775 ( 0.777 -0.000 10.520) 10.549 1.879 ( 1.597 -0.000 3.961) 4.271 2.064 ( 1.928 -0.000 -0.503) 1.993 2.139 ( 3.330 -0.000 -3.248) 4.652 2.364 ( -10.290 0.000 1.012) 10.340 2.388 ( -5.802 0.000 -0.372) 5.814 2.501 ( -9.115 0.000 -2.418) 9.430 2.519 ( -8.048 0.000 -8.060) 11.390 2.676 ( 1.094 -0.000 -6.398) 6.491 2.678 ( -3.221 0.000 -0.746) 3.306 2.778 ( -7.237 0.000 1.090) 7.319 2.863 ( -2.287 0.000 -2.960) 3.741 3.050 ( -2.232 0.000 5.945) 6.350 3.125 ( -4.580 0.000 4.805) 6.638 3.200 ( -6.602 0.000 -1.195) 6.709 3.221 ( -6.754 0.000 -0.798) 6.801 3.354 ( 0.161 -0.000 4.138) 4.141 3.466 ( 0.661 -0.000 -1.176) 1.349 4.151 ( -7.022 0.000 1.047) 7.100 4.201 ( -5.682 0.000 -1.267) 5.822 4.253 ( -1.163 0.000 0.551) 1.287 4.272 ( -1.455 0.000 -0.296) 1.485 4.511 ( 2.895 -0.000 2.467) 3.804 4.575 ( 8.865 -0.000 2.429) 9.192 4.677 ( 1.109 -0.000 -6.249) 6.347 4.683 ( 2.829 -0.000 -1.117) 3.042 4.807 ( -2.643 0.000 0.050) 2.643 4.837 ( -7.475 0.000 -0.689) 7.507 4.890 ( 3.849 -0.000 -1.408) 4.099 4.891 ( -2.698 0.000 0.759) 2.803 5.112 ( 0.723 -0.000 8.562) 8.593 5.234 ( -0.457 0.000 1.410) 1.482 5.418 ( 2.545 -0.000 -1.292) 2.854 5.483 ( 4.674 -0.000 -2.988) 5.548 5.764 ( 1.175 -0.000 1.233) 1.704 5.833 ( 0.975 -0.000 -1.955) 2.184 5.905 ( 0.716 -0.000 1.383) 1.557 5.931 ( -0.556 0.000 0.416) 0.694 6.047 ( 4.130 -0.000 -0.830) 4.212 6.057 ( 4.201 -0.000 -1.350) 4.413 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -7.506 1.747 0.026) 7.707 1.226 ( -5.201 0.176 -8.621) 10.070 1.390 ( -5.134 4.208 0.585) 6.664 1.416 ( -3.957 0.877 -1.741) 4.411 1.489 ( -6.568 2.489 1.619) 7.208 1.504 ( -4.360 0.779 1.426) 4.653 1.616 ( -4.456 -6.660 -1.834) 8.221 1.646 ( -2.131 -2.269 -1.928) 3.662 1.808 ( 0.769 -2.631 12.462) 12.759 1.904 ( 0.339 -0.463 4.851) 4.885 1.993 ( -23.231 -0.276 0.792) 23.246 2.069 ( -18.583 1.347 -2.243) 18.767 2.097 ( -2.201 -0.726 0.935) 2.500 2.189 ( 1.910 0.560 -0.173) 1.998 2.255 ( -15.564 1.841 1.838) 15.780 2.421 ( -4.812 -1.792 -8.267) 9.732 2.650 ( -0.875 -0.018 2.702) 2.840 2.703 ( 0.672 0.142 -7.675) 7.706 2.764 ( 0.052 5.411 -2.346) 5.897 2.810 ( 0.137 -2.025 -4.371) 4.819 2.947 ( -6.898 3.517 1.944) 7.983 2.998 ( -8.291 -4.580 -1.156) 9.542 3.134 ( -0.814 -0.004 2.292) 2.432 3.164 ( 0.427 -0.776 -0.323) 0.942 3.375 ( 1.824 0.903 6.100) 6.431 3.493 ( 2.032 -0.354 -0.494) 2.121 3.970 ( -12.372 -0.194 1.662) 12.485 4.038 ( -11.953 -0.203 -1.410) 12.038 4.220 ( -2.621 -0.834 0.162) 2.755 4.228 ( -3.101 -0.358 -0.173) 3.127 4.544 ( -8.930 1.028 0.303) 8.994 4.553 ( -4.510 -0.205 -0.080) 4.515 4.621 ( -6.652 0.062 2.527) 7.116 4.738 ( 4.135 0.886 1.648) 4.539 4.750 ( 5.388 -1.138 0.885) 5.577 4.794 ( 2.085 -0.290 -3.640) 4.205 4.913 ( 2.711 0.337 -1.037) 2.922 5.039 ( 8.287 1.613 -5.613) 10.138 5.175 ( 4.894 -2.579 8.137) 9.840 5.252 ( 1.985 -0.094 1.914) 2.759 5.499 ( 5.613 -0.073 -0.912) 5.687 5.581 ( 5.217 -0.855 -2.196) 5.724 5.785 ( 0.946 -0.196 1.209) 1.547 5.848 ( 0.405 -0.102 -1.833) 1.880 5.899 ( -1.008 0.022 1.177) 1.550 5.903 ( -2.249 0.026 0.662) 2.345 6.138 ( 4.843 0.612 -0.906) 4.965 6.142 ( 5.147 -0.199 -0.951) 5.238 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -4.370 4.474 0.461) 6.271 1.127 ( -4.903 -3.119 -5.455) 7.970 1.302 ( -1.359 6.038 -3.059) 6.903 1.335 ( -3.203 2.789 -1.644) 4.554 1.375 ( -4.011 6.983 1.003) 8.115 1.449 ( -1.039 -1.432 -2.221) 2.840 1.525 ( -12.368 -2.237 1.376) 12.644 1.629 ( -2.142 -1.407 -2.215) 3.387 1.678 ( -4.292 -5.791 -0.312) 7.215 1.683 ( -14.820 -0.328 -2.641) 15.057 1.802 ( -4.099 -1.172 10.307) 11.154 1.890 ( -7.477 -0.591 5.165) 9.107 1.979 ( -5.729 0.383 6.930) 8.999 2.072 ( -3.731 0.917 -1.211) 4.028 2.211 ( -0.648 2.216 3.308) 4.034 2.373 ( 1.821 0.119 -6.733) 6.976 2.634 ( -0.101 0.917 5.457) 5.534 2.682 ( -1.267 1.553 -3.100) 3.692 2.730 ( 0.601 -0.402 -9.261) 9.289 2.809 ( -3.856 -3.271 -6.183) 7.987 2.844 ( -7.996 -3.312 0.195) 8.657 2.928 ( 3.032 1.328 -2.721) 4.285 3.133 ( 0.326 -0.505 2.409) 2.483 3.206 ( 3.049 0.347 -1.178) 3.287 3.406 ( 2.075 1.707 7.963) 8.404 3.541 ( 2.014 -1.630 -0.547) 2.648 3.707 ( -13.888 -0.089 1.550) 13.975 3.771 ( -14.825 -1.290 -1.024) 14.916 4.169 ( -2.753 -0.433 -0.043) 2.787 4.172 ( -2.600 -0.138 -0.142) 2.608 4.367 ( -6.537 -0.143 1.086) 6.628 4.415 ( -6.090 -0.388 -1.105) 6.201 4.625 ( 1.605 0.880 3.889) 4.298 4.778 ( 1.412 0.061 2.717) 3.062 4.821 ( 1.393 -1.132 -5.040) 5.350 4.854 ( 2.879 0.892 0.419) 3.043 4.967 ( 2.859 0.415 1.067) 3.080 5.142 ( 4.309 4.712 -3.644) 7.352 5.285 ( 2.763 -1.593 1.409) 3.486 5.308 ( 3.802 -4.291 1.758) 5.997 5.606 ( 4.981 0.053 -0.288) 4.990 5.676 ( 3.812 -1.778 -0.390) 4.224 5.800 ( 0.406 -0.300 0.947) 1.073 5.838 ( -1.357 -0.086 -0.768) 1.562 5.858 ( -2.123 0.001 1.104) 2.393 5.888 ( 0.074 0.010 0.126) 0.146 6.208 ( 3.141 1.663 -0.056) 3.555 6.240 ( 4.356 -0.082 -1.549) 4.624 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 6.553 1.728) 6.777 1.102 ( -0.000 -3.884 -6.168) 7.289 1.232 ( 0.000 10.667 1.224) 10.737 1.281 ( 0.000 3.433 -1.106) 3.606 1.305 ( -0.000 -1.021 -4.095) 4.221 1.402 ( 0.000 2.491 2.340) 3.418 1.447 ( -0.000 -0.104 -8.234) 8.235 1.524 ( 0.000 2.035 -3.568) 4.108 1.660 ( 0.000 1.174 9.464) 9.537 1.663 ( -0.000 -2.574 1.689) 3.078 1.703 ( -0.000 -5.772 -0.475) 5.791 1.817 ( 0.000 0.047 11.437) 11.437 1.959 ( -0.000 -0.903 7.154) 7.211 1.995 ( 0.000 3.404 -5.856) 6.774 2.192 ( -0.000 -0.292 5.701) 5.708 2.417 ( 0.000 1.034 -7.983) 8.049 2.664 ( -0.000 -1.152 0.257) 1.181 2.675 ( -0.000 -1.244 -0.213) 1.262 2.738 ( -0.000 -2.666 3.153) 4.129 2.747 ( -0.000 -1.598 -7.207) 7.382 2.785 ( -0.000 -2.873 -8.481) 8.954 2.959 ( 0.000 1.522 -3.869) 4.158 3.143 ( -0.000 -0.881 3.725) 3.828 3.244 ( 0.000 0.575 -0.984) 1.140 3.428 ( 0.000 1.479 9.526) 9.640 3.544 ( 0.000 0.561 0.062) 0.564 3.547 ( 0.000 0.733 -0.083) 0.737 3.626 ( -0.000 -2.820 -1.485) 3.187 4.141 ( -0.000 -0.253 0.016) 0.253 4.145 ( -0.000 -0.025 -0.164) 0.166 4.309 ( -0.000 -0.814 1.270) 1.508 4.361 ( -0.000 -1.009 -1.104) 1.496 4.635 ( 0.000 1.464 4.003) 4.262 4.790 ( 0.000 0.236 2.011) 2.025 4.841 ( -0.000 -1.174 -4.236) 4.395 4.874 ( 0.000 1.184 -0.424) 1.258 4.995 ( 0.000 0.352 1.511) 1.552 5.155 ( 0.000 4.807 -2.085) 5.239 5.310 ( 0.000 0.157 1.406) 1.415 5.382 ( -0.000 -5.828 -2.114) 6.200 5.661 ( -0.000 -0.505 0.618) 0.798 5.731 ( -0.000 -3.350 1.077) 3.519 5.800 ( 0.000 0.203 0.449) 0.493 5.821 ( 0.000 0.187 -0.450) 0.487 5.837 ( -0.000 -0.165 1.788) 1.795 5.891 ( -0.000 -0.016 -0.298) 0.298 6.228 ( 0.000 2.612 0.418) 2.645 6.285 ( -0.000 -0.095 -2.025) 2.027 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -4.052 0.000 -0.607) 4.098 1.106 ( -5.705 0.000 -3.709) 6.804 1.324 ( -2.368 0.000 -7.084) 7.470 1.346 ( -3.277 0.000 -2.253) 3.977 1.442 ( -1.658 0.000 0.464) 1.722 1.458 ( -11.924 0.000 -0.381) 11.930 1.493 ( 0.943 -0.000 3.544) 3.667 1.617 ( -3.314 0.000 -2.326) 4.049 1.640 ( -6.015 0.000 -0.524) 6.038 1.681 ( -15.122 0.000 -3.976) 15.636 1.797 ( -1.547 0.000 11.682) 11.784 1.883 ( -8.962 0.000 4.144) 9.874 1.980 ( -7.131 0.000 7.122) 10.078 2.075 ( -2.108 0.000 0.267) 2.125 2.233 ( 2.124 -0.000 2.054) 2.955 2.371 ( -0.096 0.000 -5.882) 5.883 2.639 ( -0.102 0.000 5.030) 5.032 2.711 ( -1.005 0.000 -5.437) 5.530 2.723 ( -3.691 0.000 -3.043) 4.783 2.761 ( -5.048 0.000 -5.449) 7.428 2.837 ( -5.181 0.000 -2.831) 5.904 2.937 ( 3.454 -0.000 -3.097) 4.639 3.131 ( 0.490 -0.000 1.782) 1.848 3.209 ( 3.107 -0.000 -1.499) 3.450 3.417 ( 2.100 -0.000 7.169) 7.471 3.530 ( 1.844 -0.000 0.040) 1.845 3.706 ( -13.699 0.000 1.539) 13.785 3.764 ( -14.721 0.000 -0.715) 14.739 4.167 ( -2.561 0.000 0.012) 2.561 4.171 ( -2.499 0.000 -0.166) 2.505 4.366 ( -6.799 0.000 1.032) 6.877 4.412 ( -6.281 0.000 -1.083) 6.373 4.629 ( 1.598 -0.000 3.743) 4.070 4.778 ( 1.462 -0.000 3.570) 3.857 4.815 ( 1.338 -0.000 -5.202) 5.372 4.860 ( 3.021 -0.000 0.683) 3.097 4.969 ( 2.831 -0.000 1.084) 3.031 5.181 ( 5.268 -0.000 -8.532) 10.028 5.253 ( 3.745 -0.000 6.146) 7.197 5.294 ( 2.063 -0.000 2.009) 2.879 5.607 ( 4.948 -0.000 -0.853) 5.021 5.667 ( 3.668 -0.000 -0.843) 3.763 5.798 ( 0.496 -0.000 0.988) 1.106 5.838 ( -1.280 0.000 -0.867) 1.546 5.858 ( -2.140 0.000 1.091) 2.402 5.888 ( 0.068 -0.000 0.171) 0.184 6.218 ( 3.266 -0.000 -0.095) 3.268 6.239 ( 4.386 -0.000 -1.406) 4.606 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 2.839 -0.464) 2.876 1.058 ( -0.000 -3.027 -1.975) 3.614 1.291 ( 0.000 1.482 0.160) 1.491 1.302 ( 0.000 0.766 -0.375) 0.853 1.302 ( 0.000 0.409 -7.973) 7.983 1.429 ( -0.000 -1.940 -8.899) 9.108 1.464 ( 0.000 6.306 2.170) 6.669 1.556 ( 0.000 3.424 -1.970) 3.951 1.628 ( -0.000 -5.717 0.127) 5.718 1.639 ( -0.000 -2.779 -0.070) 2.780 1.689 ( 0.000 3.112 7.985) 8.570 1.782 ( -0.000 -3.785 9.178) 9.928 1.952 ( -0.000 -0.342 8.044) 8.051 2.045 ( 0.000 2.366 -2.537) 3.469 2.236 ( 0.000 6.868 4.310) 8.109 2.396 ( -0.000 -4.104 -4.494) 6.086 2.656 ( -0.000 -0.326 0.210) 0.388 2.665 ( -0.000 -0.529 -0.163) 0.554 2.675 ( -0.000 -4.335 7.895) 9.006 2.739 ( -0.000 -0.309 -11.115) 11.120 2.787 ( 0.000 0.653 -8.584) 8.609 2.976 ( 0.000 1.116 -4.899) 5.024 3.140 ( 0.000 0.013 2.685) 2.685 3.248 ( 0.000 0.207 -1.815) 1.827 3.443 ( 0.000 0.873 8.810) 8.853 3.548 ( 0.000 0.199 0.091) 0.219 3.553 ( 0.000 0.259 -0.112) 0.282 3.598 ( -0.000 -1.699 -0.082) 1.701 4.139 ( -0.000 -0.044 0.066) 0.080 4.146 ( 0.000 0.041 -0.198) 0.202 4.302 ( -0.000 -0.342 1.229) 1.275 4.353 ( -0.000 -0.409 -1.078) 1.153 4.644 ( 0.000 0.373 3.735) 3.754 4.792 ( 0.000 0.119 3.612) 3.614 4.829 ( -0.000 -0.724 -4.698) 4.753 4.885 ( 0.000 0.578 0.322) 0.661 4.999 ( 0.000 0.247 1.677) 1.695 5.214 ( 0.000 5.181 -5.974) 7.908 5.305 ( -0.000 -2.577 1.529) 2.997 5.321 ( -0.000 -3.046 2.096) 3.698 5.658 ( -0.000 -0.050 -0.796) 0.798 5.706 ( -0.000 -1.137 -0.040) 1.138 5.802 ( 0.000 0.073 0.446) 0.452 5.822 ( 0.000 0.067 -0.447) 0.452 5.836 ( -0.000 -0.042 1.777) 1.778 5.891 ( -0.000 -0.005 -0.223) 0.224 6.248 ( 0.000 1.028 0.250) 1.058 6.284 ( -0.000 -0.082 -1.650) 1.652 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 0.000 -13.899) 13.899 0.537 ( 0.000 0.000 13.899) 13.899 0.678 ( 0.000 0.000 -17.255) 17.255 0.678 ( 0.000 0.000 17.255) 17.255 1.270 ( 0.000 0.000 -31.289) 31.289 1.270 ( 0.000 0.000 31.289) 31.289 1.550 ( 0.000 0.000 -4.687) 4.687 1.550 ( 0.000 0.000 4.687) 4.687 1.761 ( 0.000 0.000 -0.969) 0.969 1.761 ( 0.000 0.000 0.969) 0.969 1.810 ( 0.000 0.000 -0.784) 0.784 1.810 ( 0.000 0.000 0.784) 0.784 2.150 ( 0.000 0.000 -7.244) 7.244 2.150 ( 0.000 0.000 7.244) 7.244 2.405 ( 0.000 0.000 -4.759) 4.759 2.405 ( 0.000 0.000 4.759) 4.759 2.602 ( 0.000 0.000 -5.717) 5.717 2.602 ( 0.000 0.000 5.717) 5.717 2.742 ( 0.000 0.000 -0.478) 0.478 2.742 ( 0.000 0.000 0.478) 0.478 3.008 ( 0.000 0.000 -2.553) 2.553 3.008 ( 0.000 0.000 2.553) 2.553 3.328 ( 0.000 0.000 -5.248) 5.248 3.328 ( 0.000 0.000 5.248) 5.248 3.422 ( 0.000 0.000 -0.627) 0.627 3.422 ( 0.000 0.000 0.627) 0.627 3.505 ( 0.000 0.000 -0.245) 0.245 3.505 ( 0.000 0.000 0.245) 0.245 4.173 ( 0.000 0.000 -0.240) 0.240 4.173 ( 0.000 0.000 0.240) 0.240 4.368 ( 0.000 0.000 -2.025) 2.025 4.368 ( 0.000 0.000 2.025) 2.025 4.586 ( 0.000 0.000 -3.033) 3.033 4.586 ( 0.000 0.000 3.033) 3.033 4.759 ( 0.000 0.000 -4.924) 4.924 4.759 ( 0.000 0.000 4.924) 4.924 5.150 ( 0.000 0.000 -0.188) 0.188 5.150 ( 0.000 0.000 0.188) 0.188 5.352 ( 0.000 0.000 -4.119) 4.119 5.352 ( 0.000 0.000 4.119) 4.119 5.799 ( 0.000 0.000 -0.664) 0.664 5.799 ( 0.000 0.000 0.664) 0.664 5.849 ( 0.000 0.000 -0.090) 0.090 5.849 ( 0.000 0.000 0.090) 0.090 5.901 ( 0.000 0.000 -2.992) 2.992 5.901 ( 0.000 0.000 2.992) 2.992 6.268 ( 0.000 0.000 -2.440) 2.440 6.268 ( 0.000 0.000 2.440) 2.440 ======================= Grid point 352 (100/147) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 13.730 -2.487 -9.554) 16.911 0.697 ( 13.730 -2.487 9.554) 16.911 0.891 ( 15.129 -3.379 -13.266) 20.403 0.891 ( 15.129 -3.379 13.266) 20.403 1.385 ( 12.212 -0.133 -23.374) 26.372 1.385 ( 12.212 -0.133 23.374) 26.372 1.600 ( 5.631 -0.265 -2.467) 6.154 1.600 ( 5.631 -0.265 2.467) 6.154 1.772 ( 1.632 0.166 -1.022) 1.933 1.772 ( 1.632 0.166 1.022) 1.933 1.902 ( 8.759 -0.181 -1.800) 8.944 1.902 ( 8.759 -0.181 1.800) 8.944 2.139 ( -1.049 -0.329 -7.205) 7.288 2.139 ( -1.049 -0.329 7.205) 7.288 2.378 ( -0.196 4.929 -5.191) 7.161 2.378 ( -0.196 4.929 5.191) 7.161 2.568 ( -2.492 -2.562 -2.683) 4.469 2.568 ( -2.492 -2.562 2.683) 4.469 2.752 ( -0.159 0.550 -2.284) 2.355 2.752 ( -0.159 0.550 2.284) 2.355 3.018 ( 1.322 0.598 -0.361) 1.495 3.018 ( 1.322 0.598 0.361) 1.495 3.292 ( -1.570 2.185 -5.502) 6.124 3.292 ( -1.570 2.185 5.502) 6.124 3.395 ( -2.405 -2.517 -2.793) 4.463 3.395 ( -2.405 -2.517 2.793) 4.463 3.782 ( 19.650 0.300 -5.930) 20.527 3.782 ( 19.650 0.300 5.930) 20.527 4.222 ( 5.489 0.736 -1.627) 5.772 4.222 ( 5.489 0.736 1.627) 5.772 4.354 ( -1.064 -1.042 -2.032) 2.519 4.354 ( -1.064 -1.042 2.032) 2.519 4.618 ( 2.305 -0.742 -2.048) 3.171 4.618 ( 2.305 -0.742 2.048) 3.171 4.754 ( -0.542 -0.570 -5.175) 5.234 4.754 ( -0.542 -0.570 5.175) 5.234 5.106 ( -4.028 1.355 -0.666) 4.302 5.106 ( -4.028 1.355 0.666) 4.302 5.333 ( -1.983 -0.304 -3.879) 4.367 5.333 ( -1.983 -0.304 3.879) 4.367 5.770 ( -2.259 0.255 -1.935) 2.986 5.770 ( -2.259 0.255 1.935) 2.986 5.856 ( 0.121 0.161 -1.164) 1.181 5.856 ( 0.121 0.161 1.164) 1.181 5.906 ( 0.611 0.242 -3.690) 3.748 5.906 ( 0.611 0.242 3.690) 3.748 6.189 ( -6.402 0.597 -1.480) 6.597 6.189 ( -6.402 0.597 1.480) 6.597 ======================= Grid point 354 (101/147) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 14.886 -0.581 -2.310) 15.075 0.994 ( 14.886 -0.581 2.310) 15.075 1.158 ( 12.283 -3.307 -9.718) 16.008 1.158 ( 12.283 -3.307 9.718) 16.008 1.582 ( 6.412 2.023 -0.997) 6.797 1.582 ( 6.412 2.023 0.997) 6.797 1.801 ( 6.797 1.228 -1.447) 7.057 1.801 ( 6.797 1.228 1.447) 7.057 1.889 ( 17.546 -3.735 -8.965) 20.055 1.889 ( 17.546 -3.735 8.965) 20.055 2.042 ( 2.645 1.460 -0.954) 3.169 2.042 ( 2.645 1.460 0.954) 3.169 2.162 ( 5.015 -1.741 -9.451) 10.840 2.162 ( 5.015 -1.741 9.451) 10.840 2.385 ( 4.171 3.199 -3.819) 6.498 2.385 ( 4.171 3.199 3.819) 6.498 2.556 ( 0.699 -0.364 -3.037) 3.138 2.556 ( 0.699 -0.364 3.037) 3.138 2.721 ( -2.277 0.609 -4.626) 5.192 2.721 ( -2.277 0.609 4.626) 5.192 3.046 ( 1.647 0.980 -2.372) 3.049 3.046 ( 1.647 0.980 2.372) 3.049 3.236 ( -3.357 1.056 -6.178) 7.110 3.236 ( -3.357 1.056 6.178) 7.110 3.378 ( -0.583 -2.098 -4.671) 5.154 3.378 ( -0.583 -2.098 4.671) 5.154 4.050 ( 8.690 0.749 -2.475) 9.067 4.050 ( 8.690 0.749 2.475) 9.067 4.292 ( -0.198 0.328 -1.715) 1.757 4.292 ( -0.198 0.328 1.715) 1.757 4.437 ( 10.016 -1.803 -3.861) 10.885 4.437 ( 10.016 -1.803 3.861) 10.885 4.644 ( -0.584 -0.855 -1.113) 1.520 4.644 ( -0.584 -0.855 1.113) 1.520 4.763 ( 1.884 0.108 -3.839) 4.278 4.763 ( 1.884 0.108 3.839) 4.278 4.998 ( -6.052 1.608 -1.314) 6.399 4.998 ( -6.052 1.608 1.314) 6.399 5.291 ( -2.251 -0.423 -2.516) 3.403 5.291 ( -2.251 -0.423 2.516) 3.403 5.715 ( -2.935 2.225 -3.110) 4.820 5.715 ( -2.935 2.225 3.110) 4.820 5.856 ( 0.371 1.000 -1.594) 1.918 5.856 ( 0.371 1.000 1.594) 1.918 5.914 ( 0.192 0.135 -2.817) 2.827 5.914 ( 0.192 0.135 2.817) 2.827 6.079 ( -4.675 -0.722 -2.242) 5.235 6.079 ( -4.675 -0.722 2.242) 5.235 ======================= Grid point 356 (102/147) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 9.986 0.344 -5.618) 11.463 1.225 ( 9.986 0.344 5.618) 11.463 1.429 ( 14.271 -1.575 -2.229) 14.530 1.429 ( 14.271 -1.575 2.229) 14.530 1.671 ( 4.436 -0.433 -1.588) 4.732 1.671 ( 4.436 -0.433 1.588) 4.732 1.891 ( 4.265 3.088 -2.026) 5.642 1.891 ( 4.265 3.088 2.026) 5.642 2.015 ( 0.579 2.390 -3.775) 4.505 2.015 ( 0.579 2.390 3.775) 4.505 2.150 ( 1.515 -1.034 -2.735) 3.294 2.150 ( 1.515 -1.034 2.735) 3.294 2.358 ( 12.771 0.163 -4.042) 13.396 2.358 ( 12.771 0.163 4.042) 13.396 2.457 ( 3.155 0.432 -5.905) 6.709 2.457 ( 3.155 0.432 5.905) 6.709 2.650 ( 9.578 0.704 -3.047) 10.076 2.650 ( 9.578 0.704 3.047) 10.076 2.680 ( -0.554 -0.715 -4.730) 4.816 2.680 ( -0.554 -0.715 4.730) 4.816 3.059 ( 0.577 0.538 -1.295) 1.517 3.059 ( 0.577 0.538 1.295) 1.517 3.182 ( -2.168 -2.909 -2.162) 4.224 3.182 ( -2.168 -2.909 2.162) 4.224 3.385 ( 0.381 -0.272 -3.872) 3.900 3.385 ( 0.381 -0.272 3.872) 3.900 4.160 ( 4.511 0.550 -0.753) 4.606 4.160 ( 4.511 0.550 0.753) 4.606 4.271 ( -1.958 -1.498 -1.909) 3.118 4.271 ( -1.958 -1.498 1.909) 3.118 4.569 ( -0.682 -1.065 -2.264) 2.593 4.569 ( -0.682 -1.065 2.264) 2.593 4.649 ( 3.582 0.580 -3.178) 4.824 4.649 ( 3.582 0.580 3.178) 4.824 4.823 ( 4.337 -0.135 -0.564) 4.375 4.823 ( 4.337 -0.135 0.564) 4.375 4.883 ( -4.807 0.860 -1.085) 5.003 4.883 ( -4.807 0.860 1.085) 5.003 5.270 ( 0.263 0.050 -0.612) 0.667 5.270 ( 0.263 0.050 0.612) 0.667 5.635 ( -3.572 4.052 -2.848) 6.106 5.635 ( -3.572 4.052 2.848) 6.106 5.849 ( -0.446 2.348 -2.133) 3.203 5.849 ( -0.446 2.348 2.133) 3.203 5.915 ( -0.344 -0.807 -2.366) 2.524 5.915 ( -0.344 -0.807 2.366) 2.524 6.017 ( -2.850 -1.029 -1.881) 3.566 6.017 ( -2.850 -1.029 1.881) 3.566 ======================= Grid point 358 (103/147) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 7.725 0.163 -4.773) 9.082 1.389 ( 7.725 0.163 4.773) 9.082 1.670 ( 9.907 0.824 -1.910) 10.123 1.670 ( 9.907 0.824 1.910) 10.123 1.766 ( 5.227 -1.823 -0.467) 5.556 1.766 ( 5.227 -1.823 0.467) 5.556 1.887 ( -2.358 0.871 -1.747) 3.061 1.887 ( -2.358 0.871 1.747) 3.061 2.044 ( 1.735 3.433 -0.635) 3.899 2.044 ( 1.735 3.433 0.635) 3.899 2.174 ( 3.773 2.867 -2.030) 5.155 2.174 ( 3.773 2.867 2.030) 5.155 2.364 ( -2.539 5.542 -5.372) 8.125 2.364 ( -2.539 5.542 5.372) 8.125 2.585 ( 4.714 -0.508 -2.893) 5.554 2.585 ( 4.714 -0.508 2.893) 5.554 2.636 ( -1.686 0.545 -8.450) 8.634 2.636 ( -1.686 0.545 8.450) 8.634 2.897 ( 8.113 -4.114 -2.907) 9.550 2.897 ( 8.113 -4.114 2.907) 9.550 3.113 ( 4.926 -3.291 -1.041) 6.015 3.113 ( 4.926 -3.291 1.041) 6.015 3.188 ( 1.706 -3.912 -1.290) 4.458 3.188 ( 1.706 -3.912 1.290) 4.458 3.390 ( 0.316 0.626 -4.683) 4.735 3.390 ( 0.316 0.626 4.683) 4.735 4.222 ( 0.784 -0.203 -1.317) 1.546 4.222 ( 0.784 -0.203 1.317) 1.546 4.254 ( 1.275 -0.884 -0.829) 1.759 4.254 ( 1.275 -0.884 0.829) 1.759 4.519 ( -2.747 0.429 -3.593) 4.543 4.519 ( -2.747 0.429 3.593) 4.543 4.693 ( 1.369 2.463 -2.033) 3.475 4.693 ( 1.369 2.463 2.033) 3.475 4.817 ( -1.880 0.243 -0.562) 1.977 4.817 ( -1.880 0.243 0.562) 1.977 4.913 ( 3.511 -2.316 -2.824) 5.066 4.913 ( 3.511 -2.316 2.824) 5.066 5.301 ( 2.890 0.739 -1.181) 3.208 5.301 ( 2.890 0.739 1.181) 3.208 5.543 ( -3.613 4.117 -1.728) 5.744 5.543 ( -3.613 4.117 1.728) 5.744 5.818 ( -1.400 1.790 -2.972) 3.741 5.818 ( -1.400 1.790 2.972) 3.741 5.898 ( -1.900 -0.212 -2.764) 3.361 5.898 ( -1.900 -0.212 2.764) 3.361 5.970 ( -2.770 -0.439 -1.271) 3.079 5.970 ( -2.770 -0.439 1.271) 3.079 ======================= Grid point 360 (104/147) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 5.926 -0.285 -2.307) 6.365 1.518 ( 5.926 -0.285 2.307) 6.365 1.765 ( 0.873 -0.309 -1.243) 1.550 1.765 ( 0.873 -0.309 1.243) 1.550 1.833 ( -1.531 1.007 -1.937) 2.666 1.833 ( -1.531 1.007 1.937) 2.666 1.880 ( 4.498 1.835 -1.593) 5.112 1.880 ( 4.498 1.835 1.593) 5.112 2.051 ( 1.400 0.773 -1.520) 2.206 2.051 ( 1.400 0.773 1.520) 2.206 2.172 ( -1.957 5.022 -2.453) 5.922 2.172 ( -1.957 5.022 2.453) 5.922 2.367 ( 5.348 3.024 -4.174) 7.427 2.367 ( 5.348 3.024 4.174) 7.427 2.597 ( -0.905 -0.035 -4.160) 4.257 2.597 ( -0.905 -0.035 4.160) 4.257 2.661 ( 3.250 1.029 -2.190) 4.052 2.661 ( 3.250 1.029 2.190) 4.052 2.955 ( -2.380 -5.889 -3.476) 7.241 2.955 ( -2.380 -5.889 3.476) 7.241 3.137 ( -2.686 -2.302 -0.618) 3.591 3.137 ( -2.686 -2.302 0.618) 3.591 3.314 ( 2.477 -0.646 -2.956) 3.910 3.314 ( 2.477 -0.646 2.956) 3.910 3.450 ( 8.301 -2.361 -6.955) 11.084 3.450 ( 8.301 -2.361 6.955) 11.084 4.215 ( -0.463 -0.598 -1.398) 1.590 4.215 ( -0.463 -0.598 1.398) 1.590 4.307 ( 2.526 0.199 -0.180) 2.540 4.307 ( 2.526 0.199 0.180) 2.540 4.496 ( 0.926 0.185 -4.498) 4.596 4.496 ( 0.926 0.185 4.498) 4.596 4.689 ( 0.277 3.656 -2.615) 4.503 4.689 ( 0.277 3.656 2.615) 4.503 4.800 ( 0.152 -0.406 -1.078) 1.162 4.800 ( 0.152 -0.406 1.078) 1.162 4.960 ( -0.206 -2.423 -3.310) 4.107 4.960 ( -0.206 -2.423 3.310) 4.107 5.340 ( 0.661 2.184 -4.036) 4.636 5.340 ( 0.661 2.184 4.036) 4.636 5.482 ( 0.144 1.533 -1.658) 2.263 5.482 ( 0.144 1.533 1.658) 2.263 5.782 ( -1.417 1.234 -3.383) 3.870 5.782 ( -1.417 1.234 3.383) 3.870 5.852 ( -2.670 -0.028 -3.022) 4.032 5.852 ( -2.670 -0.028 3.022) 4.032 5.912 ( -3.418 0.126 -0.872) 3.530 5.912 ( -3.418 0.126 0.872) 3.530 ======================= Grid point 362 (105/147) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.810 -0.343 -1.471) 3.191 1.608 ( 2.810 -0.343 1.471) 3.191 1.750 ( -0.929 -0.013 -0.506) 1.057 1.750 ( -0.929 -0.013 0.506) 1.057 1.815 ( -0.714 -0.460 -1.198) 1.468 1.815 ( -0.714 -0.460 1.198) 1.468 1.901 ( 0.327 3.379 -4.481) 5.622 1.901 ( 0.327 3.379 4.481) 5.622 2.066 ( 0.064 0.421 -2.034) 2.079 2.066 ( 0.064 0.421 2.034) 2.079 2.150 ( 0.862 -0.043 -0.426) 0.962 2.150 ( 0.862 -0.043 0.426) 0.962 2.436 ( 2.199 0.999 -8.073) 8.426 2.436 ( 2.199 0.999 8.073) 8.426 2.593 ( 0.287 0.265 -7.615) 7.625 2.593 ( 0.287 0.265 7.615) 7.625 2.720 ( 3.222 2.123 -3.728) 5.365 2.720 ( 3.222 2.123 3.728) 5.365 2.925 ( -2.870 -4.630 -2.639) 6.053 2.925 ( -2.870 -4.630 2.639) 6.053 3.083 ( -2.549 -0.122 -1.222) 2.830 3.083 ( -2.549 -0.122 1.222) 2.830 3.318 ( -0.283 0.268 -1.005) 1.078 3.318 ( -0.283 0.268 1.005) 1.078 3.604 ( 4.344 -1.511 -6.520) 7.979 3.604 ( 4.344 -1.511 6.520) 7.979 4.215 ( 0.047 -0.220 -1.162) 1.184 4.215 ( 0.047 -0.220 1.162) 1.184 4.335 ( 0.719 0.373 -0.387) 0.898 4.335 ( 0.719 0.373 0.387) 0.898 4.535 ( 1.720 -0.890 -3.427) 3.937 4.535 ( 1.720 -0.890 3.427) 3.937 4.672 ( 0.025 2.589 -4.011) 4.774 4.672 ( 0.025 2.589 4.011) 4.774 4.835 ( 3.156 -0.483 -1.022) 3.353 4.835 ( 3.156 -0.483 1.022) 3.353 4.928 ( -3.796 -0.965 -2.622) 4.713 4.928 ( -3.796 -0.965 2.622) 4.713 5.309 ( -1.216 1.259 -2.182) 2.798 5.309 ( -1.216 1.259 2.182) 2.798 5.521 ( 2.412 0.002 -1.391) 2.785 5.521 ( 2.412 0.002 1.391) 2.785 5.752 ( -1.045 0.598 -2.936) 3.173 5.752 ( -1.045 0.598 2.936) 3.173 5.811 ( -1.288 -0.040 -2.083) 2.450 5.811 ( -1.288 -0.040 2.083) 2.450 5.856 ( -1.844 0.143 -0.951) 2.080 5.856 ( -1.844 0.143 0.951) 2.080 ======================= Grid point 378 (106/147) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 15.720 -0.000 -1.513) 15.793 0.992 ( 15.720 -0.000 1.513) 15.793 1.138 ( 12.734 -0.000 -9.950) 16.161 1.138 ( 12.734 -0.000 9.950) 16.161 1.594 ( 5.628 -0.000 -0.496) 5.650 1.594 ( 5.628 -0.000 0.496) 5.650 1.809 ( 9.558 -0.000 -2.658) 9.921 1.809 ( 9.558 -0.000 2.658) 9.921 1.867 ( 16.117 -0.000 -10.012) 18.973 1.867 ( 16.117 -0.000 10.012) 18.973 2.051 ( 2.701 -0.000 -0.905) 2.849 2.051 ( 2.701 -0.000 0.905) 2.849 2.150 ( 5.044 -0.000 -10.692) 11.822 2.150 ( 5.044 -0.000 10.692) 11.822 2.405 ( 2.301 -0.000 -2.488) 3.388 2.405 ( 2.301 -0.000 2.488) 3.388 2.553 ( 2.184 -0.000 -3.377) 4.022 2.553 ( 2.184 -0.000 3.377) 4.022 2.725 ( -2.575 0.000 -4.632) 5.299 2.725 ( -2.575 0.000 4.632) 5.299 3.052 ( 1.702 -0.000 -1.935) 2.577 3.052 ( 1.702 -0.000 1.935) 2.577 3.242 ( -4.673 0.000 -6.336) 7.873 3.242 ( -4.673 0.000 6.336) 7.873 3.365 ( 0.382 -0.000 -4.367) 4.384 3.365 ( 0.382 -0.000 4.367) 4.384 4.054 ( 8.559 -0.000 -2.526) 8.924 4.054 ( 8.559 -0.000 2.526) 8.924 4.294 ( -1.515 0.000 -1.655) 2.244 4.294 ( -1.515 0.000 1.655) 2.244 4.427 ( 11.155 -0.000 -4.039) 11.863 4.427 ( 11.155 -0.000 4.039) 11.863 4.639 ( -0.596 0.000 -0.434) 0.737 4.639 ( -0.596 0.000 0.434) 0.737 4.764 ( 2.250 -0.000 -3.962) 4.556 4.764 ( 2.250 -0.000 3.962) 4.556 5.007 ( -6.364 0.000 -1.244) 6.484 5.007 ( -6.364 0.000 1.244) 6.484 5.288 ( -2.137 0.000 -2.505) 3.293 5.288 ( -2.137 0.000 2.505) 3.293 5.727 ( -2.548 0.000 -2.786) 3.776 5.727 ( -2.548 0.000 2.786) 3.776 5.862 ( 0.853 -0.000 -1.764) 1.959 5.862 ( 0.853 -0.000 1.764) 1.959 5.915 ( -0.163 0.000 -3.218) 3.222 5.915 ( -0.163 0.000 3.218) 3.222 6.075 ( -4.987 0.000 -1.229) 5.137 6.075 ( -4.987 0.000 1.229) 5.137 ======================= Grid point 380 (107/147) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 9.883 0.214 -7.136) 12.192 1.229 ( 9.883 0.214 7.136) 12.192 1.415 ( 15.556 -0.721 -1.036) 15.607 1.415 ( 15.556 -0.721 1.036) 15.607 1.667 ( 3.374 -0.236 -1.873) 3.866 1.667 ( 3.374 -0.236 1.873) 3.866 1.916 ( 3.224 1.257 -2.012) 4.003 1.916 ( 3.224 1.257 2.012) 4.003 2.037 ( 2.288 1.300 -3.544) 4.414 2.037 ( 2.288 1.300 3.544) 4.414 2.138 ( 1.764 -0.861 -1.410) 2.417 2.138 ( 1.764 -0.861 1.410) 2.417 2.354 ( 16.407 -0.481 -1.450) 16.478 2.354 ( 16.407 -0.481 1.450) 16.478 2.463 ( 2.977 0.490 -5.074) 5.903 2.463 ( 2.977 0.490 5.074) 5.903 2.660 ( 6.714 0.863 -3.235) 7.503 2.660 ( 6.714 0.863 3.235) 7.503 2.674 ( -0.183 -0.502 -3.673) 3.712 2.674 ( -0.183 -0.502 3.673) 3.712 3.067 ( -0.425 0.587 -2.017) 2.144 3.067 ( -0.425 0.587 2.017) 2.144 3.155 ( -3.355 -1.583 -1.992) 4.211 3.155 ( -3.355 -1.583 1.992) 4.211 3.384 ( 1.016 -0.039 -3.494) 3.638 3.384 ( 1.016 -0.039 3.494) 3.638 4.165 ( 4.430 0.282 -0.790) 4.509 4.165 ( 4.430 0.282 0.790) 4.509 4.258 ( -2.051 -0.697 -2.103) 3.019 4.258 ( -2.051 -0.697 2.103) 3.019 4.560 ( -0.355 -0.434 -1.910) 1.990 4.560 ( -0.355 -0.434 1.910) 1.990 4.654 ( 4.624 0.217 -3.220) 5.639 4.654 ( 4.624 0.217 3.220) 5.639 4.822 ( 3.503 -0.023 -0.441) 3.530 4.822 ( 3.503 -0.023 0.441) 3.530 4.889 ( -5.300 0.335 -1.043) 5.412 4.889 ( -5.300 0.335 1.043) 5.412 5.270 ( 0.497 -0.006 -0.631) 0.803 5.270 ( 0.497 -0.006 0.631) 0.803 5.665 ( -3.629 1.388 -2.272) 4.501 5.665 ( -3.629 1.388 2.272) 4.501 5.875 ( -0.292 2.069 -1.872) 2.806 5.875 ( -0.292 2.069 1.872) 2.806 5.903 ( -0.403 -1.220 -2.092) 2.456 5.903 ( -0.403 -1.220 2.092) 2.456 6.007 ( -2.711 -0.559 -1.397) 3.101 6.007 ( -2.711 -0.559 1.397) 3.101 ======================= Grid point 382 (108/147) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 7.575 0.110 -5.580) 9.409 1.390 ( 7.575 0.110 5.580) 9.409 1.676 ( 9.846 0.279 -1.298) 9.935 1.676 ( 9.846 0.279 1.298) 9.935 1.749 ( 6.132 -1.183 -0.083) 6.245 1.749 ( 6.132 -1.183 0.083) 6.245 1.895 ( -2.880 0.533 -2.165) 3.643 1.895 ( -2.880 0.533 2.165) 3.643 2.070 ( -1.010 1.348 -2.760) 3.233 2.070 ( -1.010 1.348 2.760) 3.233 2.200 ( 7.593 1.828 -0.589) 7.832 2.200 ( 7.593 1.828 0.589) 7.832 2.431 ( -2.043 5.767 -2.110) 6.472 2.431 ( -2.043 5.767 2.110) 6.472 2.575 ( 2.499 -1.160 -6.049) 6.647 2.575 ( 2.499 -1.160 6.049) 6.647 2.647 ( 0.832 1.132 -9.724) 9.825 2.647 ( 0.832 1.132 9.724) 9.825 2.846 ( 5.550 -4.500 -3.992) 8.184 2.846 ( 5.550 -4.500 3.992) 8.184 3.085 ( 4.857 -1.728 -0.965) 5.245 3.085 ( 4.857 -1.728 0.965) 5.245 3.154 ( 2.135 -2.081 -0.614) 3.044 3.154 ( 2.135 -2.081 0.614) 3.044 3.395 ( 0.337 0.391 -4.219) 4.251 3.395 ( 0.337 0.391 4.219) 4.251 4.221 ( -0.460 -0.013 -1.599) 1.663 4.221 ( -0.460 -0.013 1.599) 1.663 4.245 ( 2.741 -0.614 -0.772) 2.913 4.245 ( 2.741 -0.614 0.772) 2.913 4.523 ( -2.070 0.318 -3.213) 3.835 4.523 ( -2.070 0.318 3.213) 3.835 4.713 ( 1.500 1.228 -2.123) 2.875 4.713 ( 1.500 1.228 2.123) 2.875 4.820 ( -1.863 0.293 -0.406) 1.929 4.820 ( -1.863 0.293 0.406) 1.929 4.892 ( 2.955 -1.473 -2.795) 4.326 4.892 ( 2.955 -1.473 2.795) 4.326 5.307 ( 3.173 0.354 -0.904) 3.318 5.307 ( 3.173 0.354 0.904) 3.318 5.578 ( -4.382 2.266 -1.391) 5.126 5.578 ( -4.382 2.266 1.391) 5.126 5.837 ( -1.904 1.476 -3.187) 3.995 5.837 ( -1.904 1.476 3.187) 3.995 5.896 ( -1.586 -0.168 -2.674) 3.113 5.896 ( -1.586 -0.168 2.674) 3.113 5.965 ( -2.436 -0.545 -1.279) 2.805 5.965 ( -2.436 -0.545 1.279) 2.805 ======================= Grid point 384 (109/147) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.755 -0.105 -2.405) 6.238 1.516 ( 5.755 -0.105 2.405) 6.238 1.758 ( 0.872 -0.646 -0.378) 1.149 1.758 ( 0.872 -0.646 0.378) 1.149 1.837 ( -2.276 -0.016 -1.565) 2.762 1.837 ( -2.276 -0.016 1.565) 2.762 1.904 ( 6.979 2.084 -1.551) 7.446 1.904 ( 6.979 2.084 1.551) 7.446 2.053 ( 0.822 -0.088 -1.735) 1.922 2.053 ( 0.822 -0.088 1.735) 1.922 2.244 ( -3.441 7.634 -2.442) 8.723 2.244 ( -3.441 7.634 2.442) 8.723 2.397 ( 3.888 2.122 -3.158) 5.440 2.397 ( 3.888 2.122 3.158) 5.440 2.581 ( -1.018 -2.438 -7.106) 7.581 2.581 ( -1.018 -2.438 7.106) 7.581 2.670 ( 1.559 -0.057 -4.584) 4.842 2.670 ( 1.559 -0.057 4.584) 4.842 2.890 ( -1.134 -5.077 -3.265) 6.142 2.890 ( -1.134 -5.077 3.265) 6.142 3.128 ( -0.696 0.161 -0.866) 1.123 3.128 ( -0.696 0.161 0.866) 1.123 3.303 ( 5.312 -1.306 -2.580) 6.048 3.303 ( 5.312 -1.306 2.580) 6.048 3.427 ( 5.782 -1.564 -7.030) 9.236 3.427 ( 5.782 -1.564 7.030) 9.236 4.211 ( -0.199 -0.265 -1.415) 1.454 4.211 ( -0.199 -0.265 1.415) 1.454 4.308 ( 2.877 -0.003 -0.415) 2.906 4.308 ( 2.877 -0.003 0.415) 2.906 4.499 ( 0.051 0.369 -4.169) 4.186 4.499 ( 0.051 0.369 4.169) 4.186 4.723 ( 0.873 2.500 -1.246) 2.926 4.723 ( 0.873 2.500 1.246) 2.926 4.797 ( -0.479 -0.171 -0.714) 0.877 4.797 ( -0.479 -0.171 0.714) 0.877 4.935 ( 0.250 -2.062 -3.705) 4.247 4.935 ( 0.250 -2.062 3.705) 4.247 5.359 ( 1.342 1.350 -3.546) 4.025 5.359 ( 1.342 1.350 3.546) 4.025 5.497 ( -1.695 1.225 -1.393) 2.513 5.497 ( -1.695 1.225 1.393) 2.513 5.795 ( -1.671 1.122 -3.461) 4.004 5.795 ( -1.671 1.122 3.461) 4.004 5.851 ( -2.752 -0.128 -3.110) 4.155 5.851 ( -2.752 -0.128 3.110) 4.155 5.913 ( -3.220 0.008 -0.951) 3.357 5.913 ( -3.220 0.008 0.951) 3.357 ======================= Grid point 386 (110/147) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 3.035 -0.257 -1.429) 3.364 1.604 ( 3.035 -0.257 1.429) 3.364 1.749 ( -0.971 -0.169 -0.427) 1.074 1.749 ( -0.971 -0.169 0.427) 1.074 1.811 ( -0.628 -0.247 -0.901) 1.125 1.811 ( -0.628 -0.247 0.901) 1.125 1.950 ( -0.298 5.200 -3.591) 6.327 1.950 ( -0.298 5.200 3.591) 6.327 2.074 ( -0.265 1.058 -2.311) 2.555 2.074 ( -0.265 1.058 2.311) 2.555 2.154 ( -0.393 0.826 -1.139) 1.460 2.154 ( -0.393 0.826 1.139) 1.460 2.446 ( 1.172 0.728 -8.104) 8.221 2.446 ( 1.172 0.728 8.104) 8.221 2.578 ( -1.214 -3.225 -8.582) 9.248 2.578 ( -1.214 -3.225 8.582) 9.248 2.685 ( -2.395 -6.501 -3.948) 7.974 2.685 ( -2.395 -6.501 3.948) 7.974 2.924 ( 4.799 3.087 -1.150) 5.821 2.924 ( 4.799 3.087 1.150) 5.821 3.095 ( -1.254 2.157 -0.909) 2.655 3.095 ( -1.254 2.157 0.909) 2.655 3.321 ( -0.461 0.381 -1.192) 1.334 3.321 ( -0.461 0.381 1.192) 1.334 3.581 ( 5.437 -2.492 -5.824) 8.348 3.581 ( 5.437 -2.492 5.824) 8.348 4.215 ( 0.426 0.150 -1.168) 1.252 4.215 ( 0.426 0.150 1.168) 1.252 4.340 ( 0.610 0.547 -0.360) 0.895 4.340 ( 0.610 0.547 0.360) 0.895 4.521 ( 1.326 -1.541 -3.924) 4.420 4.521 ( 1.326 -1.541 3.924) 4.420 4.699 ( -1.949 2.353 -3.602) 4.723 4.699 ( -1.949 2.353 3.602) 4.723 4.830 ( 3.741 -0.372 -1.435) 4.024 4.830 ( 3.741 -0.372 1.435) 4.024 4.917 ( -2.709 -0.903 -3.066) 4.190 4.917 ( -2.709 -0.903 3.066) 4.190 5.323 ( -2.486 1.137 -2.358) 3.610 5.323 ( -2.486 1.137 2.358) 3.610 5.521 ( 2.297 -0.040 -1.285) 2.632 5.521 ( 2.297 -0.040 1.285) 2.632 5.759 ( -1.626 0.607 -2.736) 3.240 5.759 ( -1.626 0.607 2.736) 3.240 5.810 ( -1.275 -0.189 -1.959) 2.345 5.810 ( -1.275 -0.189 1.959) 2.345 5.857 ( -1.932 0.176 -1.052) 2.207 5.857 ( -1.932 0.176 1.052) 2.207 ======================= Grid point 388 (111/147) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -2.459 0.256 -1.489) 2.887 1.611 ( -2.459 0.256 1.489) 2.887 1.751 ( 0.772 0.128 -0.571) 0.969 1.751 ( 0.772 0.128 0.571) 0.969 1.817 ( 1.258 -0.235 -1.421) 1.913 1.817 ( 1.258 -0.235 1.421) 1.913 1.883 ( -3.279 0.105 -4.250) 5.369 1.883 ( -3.279 0.105 4.250) 5.369 2.064 ( -0.511 0.196 -1.506) 1.602 2.064 ( -0.511 0.196 1.506) 1.602 2.154 ( -0.538 0.708 -0.163) 0.904 2.154 ( -0.538 0.708 0.163) 0.904 2.424 ( -3.986 -1.346 -7.529) 8.624 2.424 ( -3.986 -1.346 7.529) 8.624 2.566 ( -1.882 -5.168 -5.556) 7.817 2.566 ( -1.882 -5.168 5.556) 7.817 2.672 ( -1.627 -4.080 -4.220) 6.091 2.672 ( -1.627 -4.080 4.220) 6.091 2.990 ( 3.031 4.869 -2.710) 6.343 2.990 ( 3.031 4.869 2.710) 6.343 3.106 ( 5.126 4.551 -1.239) 6.965 3.106 ( 5.126 4.551 1.239) 6.965 3.316 ( 0.083 -0.068 -0.806) 0.813 3.316 ( 0.083 -0.068 0.806) 0.813 3.613 ( -3.055 0.119 -6.325) 7.025 3.613 ( -3.055 0.119 6.325) 7.025 4.220 ( 0.303 0.613 -1.057) 1.259 4.220 ( 0.303 0.613 1.057) 1.259 4.332 ( -1.035 -0.012 -0.453) 1.130 4.332 ( -1.035 -0.012 0.453) 1.130 4.537 ( -1.070 -0.665 -2.873) 3.137 4.537 ( -1.070 -0.665 2.873) 3.137 4.647 ( -2.480 -1.793 -3.817) 4.892 4.647 ( -2.480 -1.793 3.817) 4.892 4.840 ( -2.727 0.507 -0.791) 2.884 4.840 ( -2.727 0.507 0.791) 2.884 4.938 ( 4.705 0.830 -2.121) 5.227 4.938 ( 4.705 0.830 2.121) 5.227 5.296 ( -0.144 -1.072 -1.880) 2.169 5.296 ( -0.144 -1.072 1.880) 2.169 5.521 ( -2.573 -0.043 -1.434) 2.946 5.521 ( -2.573 -0.043 1.434) 2.946 5.746 ( 0.538 -0.483 -2.910) 2.999 5.746 ( 0.538 -0.483 2.910) 2.999 5.811 ( 1.248 -0.098 -2.065) 2.415 5.811 ( 1.248 -0.098 2.066) 2.415 5.854 ( 1.713 -0.067 -0.751) 1.871 5.854 ( 1.713 -0.067 0.751) 1.871 ======================= Grid point 390 (112/147) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -6.136 0.507 -2.090) 6.502 1.523 ( -6.136 0.507 2.090) 6.502 1.758 ( -2.186 -1.936 -2.594) 3.906 1.758 ( -2.186 -1.936 2.594) 3.906 1.819 ( -0.287 -0.883 -0.799) 1.225 1.819 ( -0.287 -0.883 0.799) 1.225 1.869 ( 0.020 -0.514 -2.282) 2.339 1.869 ( 0.020 -0.514 2.282) 2.339 2.034 ( -2.792 -2.115 -2.591) 4.357 2.034 ( -2.792 -2.115 2.591) 4.357 2.139 ( -0.888 -1.314 -0.916) 1.832 2.139 ( -0.888 -1.314 0.916) 1.832 2.336 ( -4.769 -2.405 -5.097) 7.383 2.336 ( -4.769 -2.405 5.097) 7.383 2.577 ( 0.283 -3.407 -2.748) 4.387 2.577 ( 0.283 -3.407 2.748) 4.387 2.659 ( -1.067 0.441 -5.395) 5.517 2.659 ( -1.067 0.441 5.395) 5.517 3.002 ( 0.372 2.571 -3.664) 4.492 3.002 ( 0.372 2.571 3.664) 4.492 3.183 ( 4.487 5.827 -0.250) 7.358 3.183 ( 4.487 5.827 0.250) 7.358 3.318 ( -0.555 0.335 -2.913) 2.984 3.318 ( -0.555 0.335 2.913) 2.984 3.475 ( -9.422 2.161 -6.522) 11.661 3.475 ( -9.422 2.161 6.522) 11.661 4.224 ( 0.733 0.958 -1.270) 1.751 4.224 ( 0.733 0.958 1.270) 1.751 4.304 ( -2.206 -0.337 -0.128) 2.235 4.304 ( -2.206 -0.337 0.128) 2.235 4.496 ( -1.619 0.197 -4.775) 5.046 4.496 ( -1.619 0.197 4.775) 5.046 4.646 ( -0.181 -4.279 -3.568) 5.574 4.646 ( -0.181 -4.279 3.568) 5.574 4.804 ( -0.568 0.378 -1.179) 1.362 4.804 ( -0.568 0.378 1.179) 1.362 4.986 ( 0.771 2.308 -2.857) 3.753 4.986 ( 0.771 2.308 2.857) 3.753 5.313 ( -0.275 -2.657 -4.448) 5.188 5.313 ( -0.275 -2.657 4.448) 5.188 5.466 ( -2.026 -1.383 -1.898) 3.101 5.466 ( -2.026 -1.383 1.898) 3.101 5.770 ( 1.205 -1.050 -3.179) 3.558 5.770 ( 1.205 -1.050 3.179) 3.558 5.852 ( 2.703 -0.059 -2.917) 3.977 5.852 ( 2.703 -0.059 2.917) 3.977 5.910 ( 3.487 -0.233 -0.772) 3.579 5.910 ( 3.487 -0.233 0.772) 3.579 ======================= Grid point 392 (113/147) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.941 -0.101 -3.583) 8.713 1.387 ( -7.941 -0.101 3.583) 8.713 1.656 ( -9.291 -1.960 -2.298) 9.769 1.656 ( -9.291 -1.960 2.298) 9.769 1.787 ( -4.446 1.919 -1.451) 5.055 1.787 ( -4.446 1.919 1.451) 5.055 1.877 ( 1.367 -0.675 -1.317) 2.015 1.877 ( 1.367 -0.675 1.317) 2.015 1.997 ( -4.011 -5.059 -2.083) 6.784 1.997 ( -4.011 -5.059 2.083) 6.784 2.134 ( -0.577 -4.578 -4.382) 6.364 2.134 ( -0.577 -4.578 4.382) 6.364 2.326 ( 2.527 -1.037 -8.021) 8.474 2.326 ( 2.527 -1.037 8.021) 8.474 2.581 ( -3.785 -1.397 -4.081) 5.739 2.581 ( -3.785 -1.397 4.081) 5.739 2.639 ( 1.198 1.068 -7.136) 7.315 2.639 ( 1.198 1.068 7.136) 7.315 2.931 ( -8.698 2.163 -2.106) 9.207 2.931 ( -8.698 2.163 2.106) 9.207 3.155 ( -6.466 4.235 -0.106) 7.730 3.155 ( -6.466 4.235 0.106) 7.730 3.235 ( -1.419 4.567 -1.904) 5.147 3.235 ( -1.419 4.567 1.904) 5.147 3.383 ( -0.165 -0.472 -5.081) 5.105 3.383 ( -0.165 -0.472 5.081) 5.105 4.226 ( -1.841 0.533 -1.014) 2.168 4.226 ( -1.841 0.533 1.014) 2.168 4.263 ( 0.007 0.791 -0.683) 1.045 4.263 ( 0.007 0.791 0.683) 1.045 4.515 ( 3.380 -0.281 -4.116) 5.333 4.515 ( 3.380 -0.281 4.116) 5.333 4.660 ( -0.930 -3.474 -3.182) 4.802 4.660 ( -0.930 -3.474 3.182) 4.802 4.814 ( 1.559 -0.290 -1.029) 1.891 4.814 ( 1.559 -0.290 1.029) 1.891 4.941 ( -3.942 2.694 -2.563) 5.419 4.941 ( -3.942 2.694 2.563) 5.419 5.290 ( -2.409 -1.218 -1.802) 3.245 5.290 ( -2.409 -1.218 1.802) 3.245 5.492 ( 2.395 -4.847 -1.902) 5.731 5.492 ( 2.395 -4.847 1.902) 5.731 5.800 ( 1.183 -1.463 -2.732) 3.317 5.800 ( 1.183 -1.463 2.732) 3.317 5.900 ( 2.133 0.218 -2.683) 3.435 5.900 ( 2.133 0.218 2.683) 3.435 5.973 ( 3.041 0.070 -1.138) 3.248 5.973 ( 3.041 0.070 1.138) 3.248 ======================= Grid point 394 (114/147) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -9.705 -0.047 -3.298) 10.251 1.223 ( -9.705 -0.047 3.298) 10.251 1.446 ( -12.382 1.467 -2.905) 12.802 1.446 ( -12.382 1.467 2.905) 12.802 1.674 ( -6.420 -0.088 -1.184) 6.529 1.674 ( -6.420 -0.088 1.184) 6.529 1.856 ( -4.554 -3.161 -2.022) 5.901 1.856 ( -4.554 -3.161 2.022) 5.901 1.986 ( 0.966 -2.855 -2.621) 3.994 1.986 ( 0.966 -2.855 2.621) 3.994 2.154 ( -0.383 -0.493 -1.352) 1.489 2.154 ( -0.383 -0.493 1.352) 1.489 2.348 ( -8.095 -1.204 -6.022) 10.161 2.348 ( -8.095 -1.204 6.022) 10.161 2.456 ( -4.299 0.119 -6.077) 7.445 2.456 ( -4.299 0.119 6.077) 7.445 2.647 ( -9.441 0.183 -1.707) 9.595 2.647 ( -9.441 0.183 1.707) 9.595 2.693 ( -2.398 1.911 -5.904) 6.653 2.693 ( -2.398 1.911 5.904) 6.653 3.058 ( -2.095 0.393 -1.665) 2.705 3.058 ( -2.095 0.393 1.665) 2.705 3.211 ( 0.033 2.146 -2.866) 3.581 3.211 ( 0.033 2.146 2.866) 3.581 3.391 ( 0.769 0.802 -4.332) 4.472 3.391 ( 0.769 0.802 4.332) 4.472 4.155 ( -4.750 -0.377 -0.685) 4.814 4.155 ( -4.750 -0.377 0.685) 4.814 4.287 ( 1.602 1.237 -1.522) 2.532 4.287 ( 1.602 1.237 1.522) 2.532 4.581 ( 0.918 0.922 -3.122) 3.382 4.581 ( 0.918 0.922 3.122) 3.382 4.643 ( -1.155 -0.583 -3.232) 3.482 4.643 ( -1.155 -0.583 3.232) 3.482 4.825 ( -5.686 0.278 -0.635) 5.728 4.825 ( -5.686 0.278 0.635) 5.728 4.872 ( 3.893 -0.905 -1.289) 4.200 4.872 ( 3.893 -0.905 1.289) 4.200 5.269 ( 0.080 -0.284 -0.478) 0.561 5.269 ( 0.080 -0.284 0.478) 0.561 5.580 ( 3.496 -5.763 -3.655) 7.667 5.580 ( 3.496 -5.763 3.655) 7.667 5.827 ( 0.670 -1.686 -2.131) 2.799 5.827 ( 0.670 -1.686 2.131) 2.799 5.921 ( 0.307 0.496 -2.050) 2.132 5.921 ( 0.307 0.496 2.050) 2.132 6.027 ( 3.118 0.781 -1.765) 3.667 6.027 ( 3.118 0.781 1.765) 3.667 ======================= Grid point 396 (115/147) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -12.670 2.087 -3.091) 13.208 1.008 ( -12.670 2.087 3.091) 13.208 1.203 ( -11.072 4.552 -8.916) 14.927 1.203 ( -11.072 4.552 8.916) 14.927 1.555 ( -7.363 -2.745 -1.202) 7.949 1.555 ( -7.363 -2.745 1.202) 7.949 1.785 ( -4.638 -1.793 -1.724) 5.263 1.785 ( -4.638 -1.793 1.724) 5.263 1.940 ( -17.039 5.054 -6.667) 18.982 1.940 ( -17.039 5.054 6.667) 18.982 2.023 ( -2.835 -1.952 -0.704) 3.513 2.023 ( -2.835 -1.952 0.704) 3.513 2.178 ( -4.224 0.775 -7.827) 8.928 2.178 ( -4.224 0.775 7.827) 8.928 2.348 ( -8.350 -3.130 -5.998) 10.747 2.348 ( -8.350 -3.130 5.998) 10.747 2.558 ( 1.804 -0.030 -2.117) 2.781 2.558 ( 1.804 -0.030 2.117) 2.781 2.714 ( 1.498 -0.512 -4.724) 4.982 2.714 ( 1.498 -0.512 4.724) 4.982 3.033 ( -1.735 -1.374 -3.181) 3.875 3.033 ( -1.735 -1.374 3.181) 3.875 3.221 ( 1.164 -1.587 -5.748) 6.075 3.221 ( 1.164 -1.587 5.748) 6.075 3.406 ( 1.958 2.775 -5.021) 6.062 3.406 ( 1.958 2.775 5.021) 6.062 4.039 ( -9.086 -1.144 -2.354) 9.455 4.039 ( -9.086 -1.144 2.354) 9.455 4.286 ( -2.254 -0.945 -1.621) 2.932 4.286 ( -2.254 -0.945 1.621) 2.932 4.464 ( -8.026 2.950 -3.264) 9.153 4.464 ( -8.026 2.950 3.264) 9.153 4.656 ( 0.473 1.360 -2.215) 2.641 4.656 ( 0.473 1.360 2.215) 2.641 4.762 ( -0.782 -0.076 -3.384) 3.474 4.762 ( -0.782 -0.076 3.384) 3.474 4.975 ( 5.396 -2.300 -1.570) 6.072 4.975 ( 5.396 -2.300 1.570) 6.072 5.296 ( 2.463 0.376 -2.504) 3.532 5.296 ( 2.463 0.376 2.504) 3.532 5.680 ( 3.930 -4.203 -3.954) 6.982 5.680 ( 3.930 -4.203 3.954) 6.982 5.843 ( 0.304 -1.204 -1.480) 1.932 5.843 ( 0.304 -1.204 1.480) 1.932 5.913 ( -0.833 -0.056 -1.837) 2.018 5.913 ( -0.833 -0.056 1.837) 2.018 6.090 ( 4.231 1.071 -2.721) 5.143 6.090 ( 4.231 1.071 2.721) 5.143 ======================= Grid point 398 (116/147) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -10.484 6.945 -9.850) 15.975 0.750 ( -10.484 6.945 9.850) 15.975 0.956 ( -12.798 7.772 -11.995) 19.185 0.956 ( -12.798 7.772 11.995) 19.185 1.387 ( -10.485 0.261 -14.164) 17.625 1.387 ( -10.485 0.261 14.164) 17.625 1.604 ( -8.170 0.258 -5.484) 9.844 1.604 ( -8.170 0.258 5.484) 9.844 1.771 ( -1.560 0.165 -1.023) 1.873 1.771 ( -1.560 0.165 1.023) 1.873 1.907 ( -8.217 0.885 -4.305) 9.318 1.907 ( -8.217 0.885 4.305) 9.318 2.144 ( 0.680 0.251 -5.036) 5.088 2.144 ( 0.680 0.251 5.036) 5.088 2.296 ( -1.682 -8.989 -8.686) 12.613 2.296 ( -1.682 -8.989 8.686) 12.613 2.602 ( 3.376 2.985 -3.273) 5.570 2.602 ( 3.376 2.985 3.273) 5.570 2.741 ( 0.232 -1.369 -2.433) 2.801 2.741 ( 0.232 -1.369 2.433) 2.801 3.006 ( -1.490 -1.590 -0.332) 2.204 3.006 ( -1.490 -1.590 0.332) 2.204 3.259 ( 1.256 -3.306 -5.967) 6.936 3.259 ( 1.256 -3.306 5.967) 6.936 3.433 ( 2.622 3.869 -4.261) 6.324 3.433 ( 2.622 3.869 4.261) 6.324 3.776 ( -18.735 -0.763 -5.395) 19.511 3.776 ( -18.735 -0.763 5.395) 19.511 4.209 ( -4.611 -1.395 -1.206) 4.966 4.209 ( -4.611 -1.395 1.206) 4.966 4.371 ( -0.744 1.819 -2.080) 2.862 4.371 ( -0.744 1.819 2.080) 2.862 4.634 ( -1.378 2.109 -4.381) 5.054 4.634 ( -1.378 2.109 4.381) 5.054 4.765 ( 0.854 1.502 -4.606) 4.919 4.765 ( 0.854 1.502 4.606) 4.919 5.080 ( 3.704 -3.067 -1.227) 4.963 5.080 ( 3.704 -3.067 1.227) 4.963 5.338 ( 1.897 0.568 -4.103) 4.556 5.338 ( 1.897 0.568 4.103) 4.556 5.763 ( 3.098 -1.034 -2.168) 3.921 5.763 ( 3.098 -1.034 2.168) 3.921 5.853 ( -0.041 -0.601 -0.813) 1.012 5.853 ( -0.041 -0.601 0.813) 1.012 5.900 ( -0.535 -0.802 -2.966) 3.119 5.900 ( -0.535 -0.802 2.966) 3.119 6.180 ( 5.229 -0.798 -3.617) 6.408 6.180 ( 5.229 -0.798 3.617) 6.408 ======================= Grid point 400 (117/147) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 10.151 -12.625) 16.200 0.597 ( 0.000 10.151 12.625) 16.200 0.725 ( 0.000 8.237 -15.611) 17.651 0.725 ( 0.000 8.237 15.611) 17.651 1.276 ( 0.000 1.175 -27.234) 27.260 1.276 ( 0.000 1.175 27.234) 27.260 1.541 ( -0.000 -1.625 -4.418) 4.707 1.541 ( -0.000 -1.625 4.418) 4.707 1.761 ( -0.000 -0.020 -1.206) 1.206 1.761 ( -0.000 -0.020 1.206) 1.206 1.813 ( 0.000 0.721 -2.342) 2.450 1.813 ( 0.000 0.721 2.342) 2.450 2.153 ( 0.000 0.337 -6.342) 6.351 2.153 ( 0.000 0.337 6.342) 6.351 2.342 ( -0.000 -9.767 -8.599) 13.013 2.342 ( -0.000 -9.767 8.599) 13.013 2.632 ( 0.000 4.050 -5.716) 7.005 2.632 ( 0.000 4.050 5.716) 7.005 2.737 ( -0.000 -0.850 -0.403) 0.941 2.737 ( -0.000 -0.850 0.403) 0.941 3.001 ( -0.000 -1.270 -2.472) 2.779 3.001 ( -0.000 -1.270 2.472) 2.779 3.301 ( -0.000 -3.747 -5.581) 6.722 3.301 ( -0.000 -3.747 5.581) 6.722 3.457 ( 0.000 4.860 -4.126) 6.375 3.457 ( 0.000 4.860 4.126) 6.375 3.508 ( 0.000 0.486 -0.221) 0.534 3.508 ( 0.000 0.486 0.221) 0.534 4.170 ( -0.000 -0.576 -0.221) 0.617 4.170 ( -0.000 -0.576 0.221) 0.617 4.367 ( -0.000 -0.164 -2.001) 2.007 4.367 ( -0.000 -0.164 2.001) 2.007 4.602 ( 0.000 2.688 -4.363) 5.124 4.602 ( 0.000 2.688 4.363) 5.124 4.766 ( 0.000 1.289 -4.678) 4.853 4.766 ( 0.000 1.289 4.678) 4.853 5.134 ( -0.000 -2.716 -0.787) 2.827 5.134 ( -0.000 -2.716 0.787) 2.827 5.354 ( 0.000 0.354 -4.396) 4.410 5.354 ( 0.000 0.354 4.396) 4.410 5.800 ( 0.000 0.138 -0.662) 0.676 5.800 ( 0.000 0.138 0.662) 0.676 5.847 ( -0.000 -0.341 -0.921) 0.982 5.847 ( -0.000 -0.341 0.921) 0.982 5.900 ( -0.000 -0.267 -3.003) 3.015 5.900 ( -0.000 -0.267 3.003) 3.015 6.254 ( -0.000 -2.328 -3.602) 4.289 6.254 ( -0.000 -2.328 3.602) 4.289 ======================= Grid point 406 (118/147) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 7.521 -0.000 -5.864) 9.537 1.391 ( 7.521 -0.000 5.864) 9.537 1.677 ( 9.737 -0.000 -1.035) 9.792 1.677 ( 9.737 -0.000 1.035) 9.792 1.743 ( 6.513 -0.000 -0.031) 6.513 1.743 ( 6.513 -0.000 0.031) 6.513 1.897 ( -3.020 0.000 -2.263) 3.774 1.897 ( -3.020 0.000 2.263) 3.774 2.077 ( -1.997 0.000 -3.536) 4.060 2.077 ( -1.997 0.000 3.536) 4.060 2.210 ( 8.948 -0.000 -0.651) 8.972 2.210 ( 8.948 -0.000 0.651) 8.972 2.467 ( -1.199 0.000 -0.066) 1.201 2.467 ( -1.199 0.000 0.066) 1.201 2.566 ( 0.906 -0.000 -7.507) 7.561 2.566 ( 0.906 -0.000 7.507) 7.561 2.655 ( 2.528 -0.000 -10.150) 10.461 2.655 ( 2.528 -0.000 10.150) 10.461 2.817 ( 3.634 -0.000 -4.788) 6.011 2.817 ( 3.634 -0.000 4.788) 6.011 3.076 ( 5.316 -0.000 -0.531) 5.343 3.076 ( 5.316 -0.000 0.531) 5.343 3.143 ( 2.142 -0.000 -0.323) 2.166 3.143 ( 2.142 -0.000 0.323) 2.166 3.398 ( 0.336 -0.000 -4.028) 4.042 3.398 ( 0.336 -0.000 4.028) 4.042 4.221 ( -1.215 0.000 -1.731) 2.115 4.221 ( -1.215 0.000 1.731) 2.115 4.242 ( 3.589 -0.000 -0.635) 3.645 4.242 ( 3.589 -0.000 0.635) 3.645 4.525 ( -1.778 0.000 -3.074) 3.551 4.525 ( -1.778 0.000 3.074) 3.551 4.719 ( 1.473 -0.000 -2.704) 3.079 4.719 ( 1.473 -0.000 2.704) 3.079 4.822 ( -1.730 0.000 -0.185) 1.740 4.822 ( -1.730 0.000 0.185) 1.740 4.883 ( 2.662 -0.000 -2.522) 3.667 4.883 ( 2.662 -0.000 2.522) 3.667 5.309 ( 3.266 -0.000 -0.824) 3.368 5.309 ( 3.266 -0.000 0.824) 3.368 5.591 ( -4.628 0.000 -1.243) 4.792 5.591 ( -4.628 0.000 1.243) 4.792 5.846 ( -2.286 0.000 -3.309) 4.021 5.846 ( -2.286 0.000 3.309) 4.021 5.894 ( -1.359 0.000 -2.534) 2.876 5.894 ( -1.359 0.000 2.534) 2.876 5.961 ( -2.255 0.000 -1.255) 2.581 5.961 ( -2.255 0.000 1.255) 2.581 ======================= Grid point 408 (119/147) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.670 -0.020 -2.430) 6.169 1.516 ( 5.670 -0.020 2.430) 6.169 1.753 ( 0.930 -0.276 -0.376) 1.041 1.753 ( 0.930 -0.276 0.376) 1.041 1.836 ( -1.897 -0.075 -1.143) 2.216 1.836 ( -1.897 -0.075 1.143) 2.216 1.920 ( 7.673 0.789 -1.562) 7.870 1.920 ( 7.673 0.789 1.562) 7.870 2.052 ( 0.539 -0.091 -0.842) 1.004 2.052 ( 0.539 -0.091 0.842) 1.004 2.323 ( -1.850 5.439 -0.630) 5.779 2.323 ( -1.850 5.439 0.630) 5.779 2.407 ( 0.176 -0.245 -1.775) 1.800 2.407 ( 0.176 -0.245 1.775) 1.800 2.553 ( -1.374 -2.082 -8.925) 9.267 2.553 ( -1.374 -2.082 8.925) 9.267 2.661 ( -2.052 -0.918 -7.980) 8.291 2.661 ( -2.052 -0.918 7.980) 8.291 2.855 ( 3.042 -1.361 -3.181) 4.607 2.855 ( 3.042 -1.361 3.181) 4.607 3.133 ( 0.253 0.417 -0.863) 0.991 3.133 ( 0.253 0.417 0.863) 0.991 3.290 ( 7.509 -0.827 -1.656) 7.734 3.290 ( 7.509 -0.827 1.656) 7.734 3.416 ( 3.686 -0.477 -6.802) 7.751 3.416 ( 3.686 -0.477 6.802) 7.751 4.209 ( -0.024 -0.066 -1.392) 1.394 4.209 ( -0.024 -0.066 1.392) 1.394 4.308 ( 3.080 -0.035 -0.598) 3.138 4.308 ( 3.080 -0.035 0.598) 3.138 4.503 ( -0.540 0.184 -3.953) 3.994 4.503 ( -0.540 0.184 3.953) 3.994 4.742 ( 1.725 0.847 -1.952) 2.739 4.742 ( 1.725 0.847 1.952) 2.739 4.796 ( -1.319 0.079 -0.414) 1.385 4.796 ( -1.319 0.079 0.414) 1.385 4.918 ( 0.560 -0.890 -3.909) 4.047 4.918 ( 0.560 -0.890 3.909) 4.047 5.369 ( 1.818 0.447 -3.243) 3.744 5.369 ( 1.818 0.447 3.243) 3.744 5.507 ( -2.785 0.467 -1.239) 3.084 5.507 ( -2.785 0.467 1.239) 3.084 5.805 ( -1.842 0.495 -3.382) 3.883 5.805 ( -1.842 0.495 3.382) 3.883 5.850 ( -2.890 -0.099 -3.148) 4.275 5.850 ( -2.890 -0.099 3.148) 4.275 5.912 ( -3.019 -0.020 -0.999) 3.180 5.912 ( -3.019 -0.020 0.999) 3.180 ======================= Grid point 410 (120/147) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.106 -0.130 -0.982) 3.260 1.602 ( 3.106 -0.130 0.982) 3.260 1.747 ( -0.815 -0.200 -0.446) 0.950 1.747 ( -0.815 -0.200 0.446) 0.950 1.810 ( -0.743 -0.024 -0.676) 1.005 1.810 ( -0.743 -0.024 0.676) 1.005 2.001 ( 1.091 3.395 -2.098) 4.138 2.001 ( 1.091 3.395 2.098) 4.138 2.089 ( 1.083 1.551 -1.538) 2.438 2.089 ( 1.083 1.551 1.538) 2.438 2.172 ( -4.831 2.504 -2.169) 5.857 2.172 ( -4.831 2.504 2.169) 5.857 2.447 ( 1.033 -0.970 -7.034) 7.176 2.447 ( 1.033 -0.970 7.034) 7.176 2.518 ( -5.282 -6.269 -6.864) 10.691 2.518 ( -5.282 -6.269 6.864) 10.691 2.634 ( -0.983 -2.294 -3.450) 4.258 2.634 ( -0.983 -2.295 3.450) 4.258 2.956 ( 6.605 2.031 -0.186) 6.913 2.956 ( 6.605 2.031 0.186) 6.913 3.124 ( 0.571 2.611 -0.722) 2.769 3.124 ( 0.571 2.611 0.722) 2.769 3.325 ( -0.513 0.367 -1.001) 1.184 3.325 ( -0.513 0.367 1.001) 1.184 3.554 ( 6.142 -2.160 -4.253) 7.777 3.554 ( 6.142 -2.160 4.253) 7.777 4.217 ( 0.731 0.223 -1.108) 1.346 4.217 ( 0.731 0.223 1.108) 1.346 4.346 ( 0.769 0.437 -0.349) 0.951 4.346 ( 0.769 0.437 0.349) 0.951 4.505 ( 0.470 -1.176 -4.167) 4.355 4.505 ( 0.470 -1.176 4.167) 4.355 4.721 ( -3.489 1.399 -2.584) 4.561 4.721 ( -3.489 1.399 2.584) 4.561 4.827 ( 4.386 -0.216 -1.695) 4.707 4.827 ( 4.386 -0.216 1.695) 4.707 4.909 ( -1.742 -0.572 -3.355) 3.824 4.909 ( -1.742 -0.572 3.355) 3.824 5.333 ( -3.384 0.680 -2.431) 4.222 5.333 ( -3.384 0.680 2.431) 4.222 5.520 ( 2.245 -0.042 -1.158) 2.527 5.520 ( 2.245 -0.042 1.158) 2.527 5.765 ( -2.169 0.421 -2.215) 3.128 5.765 ( -2.169 0.421 2.215) 3.128 5.808 ( -1.162 -0.200 -1.605) 1.992 5.808 ( -1.162 -0.200 1.605) 1.992 5.859 ( -1.979 0.120 -1.085) 2.260 5.859 ( -1.979 0.120 1.085) 2.260 ======================= Grid point 412 (121/147) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.166 0.049 -1.907) 2.886 1.613 ( -2.166 0.049 1.908) 2.886 1.753 ( 0.943 0.266 -0.462) 1.083 1.753 ( 0.943 0.266 0.462) 1.083 1.812 ( 1.159 -0.552 -1.700) 2.130 1.812 ( 1.159 -0.552 1.700) 2.130 1.897 ( -6.884 2.042 -3.529) 8.001 1.897 ( -6.884 2.042 3.529) 8.001 2.070 ( -1.086 0.863 -0.846) 1.625 2.070 ( -1.086 0.863 0.846) 1.625 2.167 ( 0.922 1.652 -0.715) 2.023 2.167 ( 0.922 1.652 0.715) 2.023 2.399 ( -7.012 -3.822 -3.824) 8.855 2.399 ( -7.012 -3.822 3.824) 8.855 2.495 ( -0.103 -5.980 -1.563) 6.181 2.495 ( -0.103 -5.980 1.563) 6.181 2.647 ( 0.943 -1.037 -3.350) 3.632 2.647 ( 0.943 -1.037 3.350) 3.632 3.019 ( 0.927 1.144 -2.140) 2.598 3.019 ( 0.927 1.144 2.140) 2.598 3.172 ( 6.794 6.210 -0.170) 9.206 3.172 ( 6.794 6.210 0.170) 9.206 3.317 ( 0.047 0.282 -0.916) 0.960 3.317 ( 0.047 0.282 0.916) 0.960 3.608 ( -1.848 -0.876 -5.004) 5.405 3.608 ( -1.848 -0.876 5.004) 5.405 4.227 ( 0.550 0.675 -0.869) 1.230 4.227 ( 0.550 0.675 0.869) 1.230 4.335 ( -1.360 0.375 -0.530) 1.507 4.335 ( -1.360 0.375 0.530) 1.507 4.522 ( -0.099 -1.838 -3.197) 3.688 4.522 ( -0.099 -1.838 3.197) 3.688 4.634 ( -4.616 -0.620 -3.525) 5.841 4.634 ( -4.616 -0.620 3.525) 5.841 4.845 ( -2.444 0.390 -0.949) 2.651 4.845 ( -2.444 0.390 0.949) 2.651 4.945 ( 5.312 0.556 -1.673) 5.597 4.945 ( 5.312 0.556 1.673) 5.597 5.287 ( -1.281 -0.691 -1.499) 2.089 5.287 ( -1.281 -0.691 1.499) 2.089 5.520 ( -2.728 -0.051 -1.424) 3.078 5.520 ( -2.728 -0.051 1.424) 3.078 5.742 ( 0.163 -0.312 -2.788) 2.810 5.742 ( 0.163 -0.312 2.788) 2.810 5.810 ( 1.211 -0.129 -1.995) 2.337 5.810 ( 1.211 -0.129 1.995) 2.337 5.854 ( 1.574 -0.014 -0.493) 1.649 5.854 ( 1.574 -0.014 0.493) 1.649 ======================= Grid point 414 (122/147) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -6.245 0.599 -1.777) 6.521 1.529 ( -6.245 0.599 1.777) 6.521 1.727 ( -4.885 -3.160 -3.081) 6.583 1.727 ( -4.885 -3.160 3.081) 6.583 1.818 ( 0.412 0.446 -1.320) 1.453 1.818 ( 0.412 0.446 1.320) 1.453 1.864 ( 2.208 -0.572 -3.544) 4.214 1.864 ( 2.208 -0.572 3.544) 4.214 2.012 ( -4.864 -1.611 -2.736) 5.809 2.012 ( -4.864 -1.611 2.736) 5.809 2.133 ( -4.510 -0.313 -2.602) 5.216 2.133 ( -4.510 -0.313 2.602) 5.216 2.320 ( -1.301 -0.437 -6.155) 6.307 2.320 ( -1.301 -0.437 6.155) 6.307 2.533 ( 0.854 -4.319 -3.735) 5.774 2.533 ( 0.854 -4.319 3.735) 5.774 2.665 ( 0.488 0.563 -5.013) 5.068 2.665 ( 0.488 0.563 5.013) 5.068 3.017 ( -0.664 0.622 -3.780) 3.888 3.017 ( -0.664 0.622 3.780) 3.888 3.248 ( 3.318 5.083 -0.901) 6.136 3.248 ( 3.318 5.083 0.901) 6.136 3.326 ( 1.187 1.482 -3.304) 3.811 3.326 ( 1.187 1.482 3.304) 3.811 3.494 ( -9.321 1.165 -5.779) 11.028 3.494 ( -9.321 1.165 5.779) 11.028 4.235 ( 0.921 1.001 -0.952) 1.660 4.235 ( 0.921 1.001 0.952) 1.660 4.301 ( -2.016 -0.051 -0.408) 2.057 4.301 ( -2.016 -0.051 0.408) 2.057 4.500 ( -1.721 0.466 -4.834) 5.152 4.500 ( -1.721 0.466 4.834) 5.152 4.598 ( -0.604 -4.235 -3.960) 5.829 4.598 ( -0.604 -4.235 3.960) 5.829 4.808 ( -0.956 0.234 -1.017) 1.415 4.808 ( -0.956 0.234 1.017) 1.415 5.009 ( 1.404 1.859 -2.334) 3.298 5.009 ( 1.404 1.859 2.334) 3.298 5.284 ( -0.437 -2.442 -4.532) 5.166 5.284 ( -0.437 -2.442 4.532) 5.166 5.452 ( -3.372 -0.984 -2.017) 4.050 5.452 ( -3.372 -0.984 2.017) 4.050 5.760 ( 1.074 -0.739 -2.955) 3.229 5.760 ( 1.074 -0.739 2.955) 3.229 5.851 ( 2.807 -0.089 -2.804) 3.969 5.851 ( 2.807 -0.089 2.804) 3.969 5.907 ( 3.442 -0.244 -0.660) 3.513 5.907 ( 3.442 -0.244 0.660) 3.513 ======================= Grid point 416 (123/147) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -8.191 0.056 -2.245) 8.494 1.387 ( -8.191 0.056 2.245) 8.494 1.628 ( -7.710 -2.967 -1.777) 8.450 1.628 ( -7.710 -2.967 1.777) 8.450 1.806 ( -4.627 1.457 -2.514) 5.463 1.806 ( -4.627 1.457 2.514) 5.463 1.874 ( 0.513 0.024 -1.678) 1.755 1.874 ( 0.513 0.024 1.678) 1.755 1.940 ( -4.915 -4.959 -3.659) 7.882 1.940 ( -4.915 -4.959 3.659) 7.882 2.079 ( -0.041 -5.116 -7.046) 8.708 2.079 ( -0.041 -5.116 7.046) 8.708 2.338 ( 2.897 2.819 -8.942) 9.813 2.338 ( 2.897 2.819 8.942) 9.813 2.558 ( -1.503 -2.582 -4.603) 5.488 2.558 ( -1.503 -2.582 4.603) 5.488 2.655 ( -0.384 1.507 -5.743) 5.950 2.655 ( -0.384 1.507 5.743) 5.950 2.947 ( -8.021 0.908 -1.819) 8.275 2.947 ( -8.021 0.908 1.819) 8.275 3.201 ( -7.237 3.911 -1.652) 8.390 3.201 ( -7.237 3.911 1.652) 8.390 3.281 ( -2.976 3.420 -1.665) 4.829 3.281 ( -2.976 3.420 1.665) 4.829 3.382 ( 0.395 0.459 -4.717) 4.756 3.382 ( 0.395 0.459 4.717) 4.756 4.234 ( -2.590 0.849 -0.788) 2.837 4.234 ( -2.590 0.849 0.788) 2.837 4.271 ( 0.840 0.529 -0.472) 1.100 4.271 ( 0.840 0.529 0.472) 1.100 4.513 ( 3.620 0.015 -4.629) 5.876 4.513 ( 3.620 0.015 4.629) 5.876 4.618 ( -0.214 -4.010 -4.066) 5.715 4.618 ( -0.214 -4.010 4.066) 5.715 4.810 ( 1.113 -0.418 -1.159) 1.660 4.810 ( 1.113 -0.418 1.159) 1.660 4.970 ( -4.160 2.635 -2.208) 5.397 4.970 ( -4.160 2.635 2.208) 5.397 5.274 ( -1.760 -1.764 -2.926) 3.843 5.274 ( -1.760 -1.764 2.926) 3.843 5.443 ( 1.005 -4.069 -1.451) 4.435 5.443 ( 1.005 -4.069 1.451) 4.435 5.786 ( 1.150 -1.016 -2.524) 2.954 5.786 ( 1.150 -1.016 2.524) 2.954 5.902 ( 2.309 0.192 -2.500) 3.409 5.902 ( 2.309 0.192 2.500) 3.409 5.972 ( 3.215 -0.196 -0.885) 3.340 5.972 ( 3.215 -0.196 0.885) 3.340 ======================= Grid point 418 (124/147) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -8.972 0.336 -0.979) 9.032 1.225 ( -8.972 0.336 0.979) 9.032 1.460 ( -10.241 1.116 -2.421) 10.582 1.460 ( -10.241 1.116 2.421) 10.582 1.668 ( -8.461 -0.932 -1.266) 8.605 1.668 ( -8.461 -0.932 1.266) 8.605 1.824 ( -4.508 -2.829 -2.099) 5.722 1.824 ( -4.508 -2.829 2.099) 5.722 1.954 ( 1.970 -2.915 -1.210) 3.720 1.954 ( 1.970 -2.915 1.210) 3.720 2.136 ( 1.813 -2.629 -3.360) 4.636 2.136 ( 1.813 -2.629 3.360) 4.636 2.343 ( -6.697 0.495 -5.825) 8.890 2.343 ( -6.697 0.495 5.825) 8.890 2.455 ( -6.156 -0.423 -5.990) 8.600 2.455 ( -6.156 -0.423 5.990) 8.600 2.650 ( -4.346 0.168 -1.033) 4.471 2.650 ( -4.346 0.168 1.033) 4.471 2.725 ( -7.160 3.722 -4.451) 9.215 2.725 ( -7.160 3.722 4.451) 9.215 3.068 ( -3.850 1.514 -2.023) 4.605 3.068 ( -3.850 1.514 2.023) 4.605 3.226 ( -2.208 0.534 -3.586) 4.245 3.226 ( -2.208 0.534 3.586) 4.245 3.403 ( 1.745 1.232 -4.509) 4.989 3.403 ( 1.745 1.232 4.509) 4.989 4.153 ( -5.087 0.118 -0.675) 5.133 4.153 ( -5.087 0.118 0.675) 5.133 4.295 ( 0.742 0.166 -0.980) 1.240 4.295 ( 0.742 0.166 0.980) 1.240 4.586 ( 0.637 -0.113 -4.171) 4.221 4.586 ( 0.637 -0.113 4.171) 4.221 4.639 ( 2.609 -0.026 -3.426) 4.306 4.639 ( 2.609 -0.026 3.426) 4.306 4.827 ( -5.762 -0.099 -0.712) 5.807 4.827 ( -5.762 -0.099 0.712) 5.807 4.866 ( 1.543 0.015 -1.765) 2.344 4.866 ( 1.543 0.015 1.765) 2.344 5.263 ( 0.393 -0.723 -0.342) 0.891 5.263 ( 0.393 -0.723 0.342) 0.891 5.516 ( 3.527 -5.708 -4.131) 7.880 5.516 ( 3.527 -5.708 4.131) 7.880 5.812 ( 0.887 -1.089 -2.118) 2.542 5.812 ( 0.887 -1.089 2.118) 2.542 5.926 ( 0.240 0.318 -1.633) 1.681 5.926 ( 0.240 0.318 1.633) 1.681 6.034 ( 3.487 0.413 -1.230) 3.721 6.034 ( 3.487 0.413 1.230) 3.721 ======================= Grid point 420 (125/147) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -9.864 3.154 -4.090) 11.134 1.038 ( -9.864 3.154 4.090) 11.134 1.253 ( -9.400 4.705 -6.803) 12.521 1.253 ( -9.400 4.705 6.803) 12.521 1.525 ( -7.573 -2.587 -1.942) 8.235 1.525 ( -7.573 -2.587 1.942) 8.235 1.762 ( -4.151 -2.325 -2.351) 5.306 1.762 ( -4.151 -2.325 2.351) 5.306 1.983 ( -7.247 0.867 -2.496) 7.713 1.983 ( -7.247 0.867 2.496) 7.713 2.008 ( -11.661 0.813 -2.161) 11.887 2.008 ( -11.661 0.813 2.161) 11.887 2.174 ( -2.284 -1.223 -6.352) 6.860 2.174 ( -2.284 -1.223 6.352) 6.860 2.323 ( -11.556 -1.490 -8.288) 14.298 2.323 ( -11.556 -1.490 8.288) 14.298 2.562 ( 2.436 1.310 -1.123) 2.985 2.562 ( 2.436 1.310 1.123) 2.985 2.711 ( 0.713 -0.023 -5.058) 5.108 2.711 ( 0.713 -0.023 5.058) 5.108 3.018 ( -2.375 -1.364 -3.882) 4.751 3.018 ( -2.375 -1.364 3.882) 4.751 3.202 ( -0.364 -1.776 -4.831) 5.160 3.202 ( -0.364 -1.776 4.831) 5.160 3.434 ( 2.621 2.255 -4.986) 6.067 3.434 ( 2.621 2.255 4.986) 6.067 4.026 ( -9.717 -1.116 -2.237) 10.034 4.026 ( -9.717 -1.116 2.237) 10.034 4.272 ( -3.817 -1.529 -1.197) 4.283 4.272 ( -3.817 -1.529 1.197) 4.283 4.497 ( -7.044 2.934 -2.341) 7.982 4.497 ( -7.044 2.934 2.341) 7.982 4.671 ( 0.172 1.261 -3.512) 3.735 4.671 ( 0.172 1.261 3.512) 3.735 4.762 ( 0.925 0.192 -2.490) 2.663 4.762 ( 0.925 0.192 2.490) 2.663 4.952 ( 4.903 -1.843 -2.100) 5.643 4.952 ( 4.903 -1.843 2.100) 5.643 5.297 ( 2.610 -0.142 -2.268) 3.460 5.297 ( 2.610 -0.142 2.268) 3.460 5.628 ( 4.994 -5.010 -4.712) 8.500 5.628 ( 4.994 -5.010 4.712) 8.500 5.831 ( 0.606 -0.934 -1.613) 1.960 5.831 ( 0.606 -0.934 1.613) 1.960 5.912 ( -1.300 -0.015 -0.925) 1.596 5.912 ( -1.300 -0.015 0.925) 1.596 6.102 ( 4.180 1.139 -2.222) 4.869 6.102 ( 4.180 1.139 2.222) 4.869 ======================= Grid point 422 (126/147) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -6.600 8.712 -9.479) 14.468 0.839 ( -6.600 8.712 9.479) 14.468 1.048 ( -9.355 8.823 -10.153) 16.385 1.048 ( -9.355 8.823 10.153) 16.385 1.390 ( -7.822 0.251 -3.854) 8.724 1.390 ( -7.822 0.251 3.854) 8.724 1.602 ( -10.896 -0.647 -5.284) 12.126 1.602 ( -10.896 -0.647 5.284) 12.126 1.776 ( -2.534 0.278 -2.731) 3.736 1.776 ( -2.534 0.278 2.731) 3.736 1.924 ( -6.628 2.519 -7.239) 10.133 1.924 ( -6.628 2.519 7.239) 10.133 2.125 ( -2.258 -5.353 -5.283) 7.853 2.125 ( -2.258 -5.353 5.283) 7.853 2.216 ( -1.821 -3.440 -10.025) 10.754 2.216 ( -1.821 -3.440 10.025) 10.754 2.626 ( 3.826 1.210 -2.108) 4.532 2.626 ( 3.826 1.210 2.108) 4.532 2.725 ( 0.081 -1.443 -2.852) 3.197 2.725 ( 0.081 -1.443 2.852) 3.197 2.984 ( -1.914 -2.466 -0.879) 3.243 2.984 ( -1.914 -2.466 0.879) 3.243 3.225 ( 1.112 -2.770 -4.514) 5.411 3.225 ( 1.112 -2.770 4.514) 5.411 3.472 ( 2.643 3.029 -5.017) 6.429 3.472 ( 2.643 3.029 5.017) 6.429 3.766 ( -17.328 -0.926 -4.531) 17.935 3.766 ( -17.328 -0.926 4.531) 17.935 4.194 ( -3.914 -1.270 -0.705) 4.174 4.194 ( -3.914 -1.270 0.705) 4.174 4.388 ( -2.816 1.124 -1.922) 3.590 4.388 ( -2.816 1.124 1.922) 3.590 4.661 ( -0.034 2.775 -6.173) 6.768 4.661 ( -0.034 2.775 6.173) 6.768 4.785 ( 1.300 1.928 -3.604) 4.290 4.785 ( 1.300 1.928 3.604) 4.290 5.046 ( 3.349 -2.830 -2.094) 4.859 5.046 ( 3.349 -2.830 2.094) 4.859 5.343 ( 1.882 0.308 -4.257) 4.664 5.343 ( 1.882 0.308 4.257) 4.664 5.745 ( 4.544 -2.511 -3.255) 6.128 5.745 ( 4.544 -2.511 3.255) 6.128 5.843 ( -0.182 -1.103 -0.535) 1.239 5.843 ( -0.182 -1.103 0.535) 1.239 5.890 ( -0.836 -0.804 -1.085) 1.588 5.890 ( -0.836 -0.804 1.085) 1.588 6.177 ( 4.034 0.318 -3.949) 5.654 6.177 ( 4.034 0.318 3.949) 5.654 ======================= Grid point 424 (127/147) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 12.514 -11.448) 16.960 0.728 ( 0.000 12.514 11.448) 16.960 0.845 ( 0.000 13.072 -12.042) 17.773 0.845 ( 0.000 13.072 12.042) 17.773 1.294 ( 0.000 2.055 -16.491) 16.619 1.294 ( 0.000 2.055 16.491) 16.619 1.516 ( -0.000 -2.809 -3.841) 4.759 1.516 ( -0.000 -2.809 3.841) 4.759 1.759 ( -0.000 -0.378 -1.683) 1.725 1.759 ( -0.000 -0.378 1.683) 1.725 1.831 ( 0.000 2.831 -6.942) 7.498 1.831 ( 0.000 2.831 6.942) 7.498 2.144 ( -0.000 -4.097 -3.113) 5.145 2.144 ( -0.000 -4.097 3.113) 5.145 2.231 ( -0.000 -7.760 -11.694) 14.035 2.231 ( -0.000 -7.760 11.694) 14.035 2.669 ( 0.000 2.284 -3.750) 4.391 2.669 ( 0.000 2.284 3.750) 4.391 2.724 ( -0.000 -1.508 -0.218) 1.523 2.724 ( -0.000 -1.508 0.218) 1.523 2.981 ( -0.000 -2.441 -2.431) 3.445 2.981 ( -0.000 -2.441 2.431) 3.445 3.261 ( -0.000 -3.281 -4.860) 5.864 3.261 ( -0.000 -3.281 4.860) 5.864 3.509 ( 0.000 4.374 -6.831) 8.111 3.509 ( 0.000 4.374 6.831) 8.111 3.516 ( 0.000 0.855 -0.156) 0.869 3.516 ( 0.000 0.855 0.156) 0.869 4.162 ( -0.000 -0.868 -0.160) 0.883 4.162 ( -0.000 -0.868 0.160) 0.883 4.364 ( -0.000 -0.445 -1.934) 1.985 4.364 ( -0.000 -0.445 1.934) 1.985 4.640 ( 0.000 4.042 -6.123) 7.337 4.640 ( 0.000 4.042 6.123) 7.337 4.786 ( 0.000 2.100 -3.985) 4.504 4.786 ( 0.000 2.100 3.985) 4.504 5.098 ( -0.000 -3.519 -1.651) 3.887 5.098 ( -0.000 -3.519 1.651) 3.887 5.359 ( 0.000 0.458 -4.838) 4.860 5.359 ( 0.000 0.458 4.838) 4.860 5.802 ( 0.000 0.244 -0.658) 0.701 5.802 ( 0.000 0.244 0.658) 0.701 5.838 ( -0.000 -1.619 -2.379) 2.878 5.838 ( -0.000 -1.619 2.379) 2.878 5.893 ( -0.000 -1.126 -2.061) 2.349 5.893 ( -0.000 -1.126 2.061) 2.349 6.229 ( -0.000 -1.814 -4.888) 5.213 6.229 ( -0.000 -1.814 4.888) 5.213 ======================= Grid point 434 (128/147) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 3.112 -0.000 -0.613) 3.172 1.601 ( 3.112 -0.000 0.613) 3.172 1.746 ( -0.720 0.000 -0.466) 0.858 1.746 ( -0.720 0.000 0.466) 0.858 1.810 ( -0.804 0.000 -0.592) 0.998 1.810 ( -0.804 0.000 0.592) 0.998 2.019 ( 1.689 -0.000 -1.729) 2.417 2.019 ( 1.689 -0.000 1.729) 2.417 2.099 ( 3.148 -0.000 -0.348) 3.167 2.099 ( 3.148 -0.000 0.348) 3.167 2.194 ( -8.588 0.000 -2.188) 8.862 2.194 ( -8.588 0.000 2.188) 8.862 2.429 ( 0.028 -0.000 -0.416) 0.417 2.429 ( 0.028 -0.000 0.416) 0.417 2.486 ( -5.154 0.000 -0.818) 5.219 2.486 ( -5.154 0.000 0.818) 5.219 2.623 ( -0.144 0.000 -1.183) 1.192 2.623 ( -0.144 0.000 1.183) 1.192 2.966 ( 6.461 -0.000 -0.250) 6.466 2.966 ( 6.461 -0.000 0.250) 6.466 3.141 ( 1.521 -0.000 -0.523) 1.609 3.141 ( 1.521 -0.000 0.523) 1.609 3.328 ( -0.486 0.000 -0.399) 0.629 3.328 ( -0.486 0.000 0.399) 0.629 3.541 ( 6.379 -0.000 -2.851) 6.987 3.541 ( 6.379 -0.000 2.851) 6.987 4.219 ( 0.850 -0.000 -1.069) 1.366 4.219 ( 0.850 -0.000 1.069) 1.366 4.348 ( 0.916 -0.000 -0.340) 0.977 4.348 ( 0.916 -0.000 0.340) 0.977 4.498 ( 0.019 -0.000 -4.243) 4.244 4.498 ( 0.019 -0.000 4.243) 4.244 4.728 ( -4.157 0.000 -1.732) 4.503 4.728 ( -4.157 0.000 1.732) 4.503 4.825 ( 4.714 -0.000 -1.743) 5.026 4.825 ( 4.714 -0.000 1.743) 5.026 4.906 ( -1.337 0.000 -3.450) 3.700 4.906 ( -1.337 0.000 3.450) 3.700 5.337 ( -3.709 0.000 -2.448) 4.443 5.337 ( -3.709 0.000 2.448) 4.443 5.520 ( 2.235 -0.000 -1.097) 2.490 5.520 ( 2.235 -0.000 1.097) 2.490 5.767 ( -2.422 0.000 -1.763) 2.996 5.767 ( -2.422 0.000 1.763) 2.996 5.806 ( -1.070 0.000 -1.267) 1.659 5.806 ( -1.070 0.000 1.267) 1.659 5.860 ( -1.993 0.000 -1.091) 2.272 5.860 ( -1.993 0.000 1.091) 2.272 ======================= Grid point 436 (129/147) ======================= q-point: (-0.69 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.044 -0.020 -2.167) 2.979 1.613 ( -2.044 -0.020 2.167) 2.979 1.755 ( 1.290 0.122 -0.250) 1.320 1.755 ( 1.290 0.122 0.250) 1.320 1.808 ( 0.792 -0.201 -1.752) 1.934 1.808 ( 0.792 -0.201 1.752) 1.934 1.916 ( -9.513 1.081 -2.671) 9.939 1.916 ( -9.513 1.081 2.671) 9.939 2.080 ( -2.131 0.636 -0.302) 2.244 2.080 ( -2.131 0.636 0.302) 2.244 2.190 ( 3.317 2.036 -2.263) 4.502 2.190 ( 3.317 2.036 2.263) 4.502 2.344 ( -7.629 -4.517 -4.723) 10.045 2.344 ( -7.629 -4.517 4.723) 10.045 2.459 ( 0.701 -1.165 -7.683) 7.803 2.459 ( 0.701 -1.165 7.683) 7.803 2.641 ( 1.487 -0.233 -2.909) 3.275 2.641 ( 1.487 -0.233 2.909) 3.275 3.025 ( 0.489 0.214 -1.678) 1.760 3.025 ( 0.489 0.214 1.678) 1.760 3.222 ( 6.364 2.405 -0.778) 6.848 3.222 ( 6.364 2.405 0.778) 6.848 3.321 ( 0.414 0.390 -1.179) 1.309 3.321 ( 0.414 0.390 1.179) 1.309 3.598 ( -1.084 -0.616 -2.197) 2.526 3.598 ( -1.084 -0.616 2.197) 2.526 4.233 ( 0.655 0.289 -0.698) 1.000 4.233 ( 0.655 0.289 0.698) 1.000 4.339 ( -1.536 0.296 -0.545) 1.656 4.339 ( -1.536 0.296 0.545) 1.656 4.504 ( 0.250 -1.010 -3.701) 3.845 4.504 ( 0.250 -1.010 3.701) 3.845 4.631 ( -5.533 -0.104 -3.409) 6.499 4.631 ( -5.533 -0.104 3.409) 6.499 4.848 ( -2.299 0.146 -1.149) 2.574 4.848 ( -2.299 0.146 1.149) 2.574 4.949 ( 5.604 0.195 -1.397) 5.779 4.949 ( 5.604 0.195 1.397) 5.779 5.282 ( -1.926 -0.235 -1.192) 2.277 5.282 ( -1.926 -0.235 1.192) 2.277 5.520 ( -2.823 -0.022 -1.401) 3.152 5.520 ( -2.823 -0.022 1.401) 3.152 5.740 ( -0.037 -0.108 -2.687) 2.689 5.740 ( -0.037 -0.108 2.687) 2.689 5.808 ( 1.191 -0.056 -1.944) 2.281 5.808 ( 1.191 -0.056 1.944) 2.281 5.854 ( 1.485 0.001 -0.266) 1.509 5.854 ( 1.485 0.001 0.266) 1.509 ======================= Grid point 438 (130/147) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -6.130 0.404 -1.528) 6.331 1.535 ( -6.130 0.404 1.528) 6.331 1.698 ( -7.033 -1.933 -3.012) 7.891 1.698 ( -7.033 -1.933 3.012) 7.891 1.824 ( 0.716 0.484 -1.587) 1.807 1.824 ( 0.716 0.484 1.587) 1.807 1.856 ( 3.174 -0.634 -4.503) 5.545 1.856 ( 3.174 -0.634 4.503) 5.546 2.000 ( -6.315 -0.618 -1.982) 6.648 2.000 ( -6.315 -0.618 1.982) 6.648 2.128 ( -7.981 -0.428 -4.261) 9.057 2.128 ( -7.981 -0.428 4.261) 9.057 2.325 ( 3.565 1.192 -6.844) 7.809 2.325 ( 3.565 1.192 6.844) 7.809 2.489 ( 1.032 -3.426 -6.136) 7.103 2.489 ( 1.032 -3.426 6.136) 7.103 2.670 ( 1.219 0.262 -4.257) 4.436 2.670 ( 1.219 0.262 4.257) 4.436 3.021 ( -0.965 0.116 -3.929) 4.048 3.021 ( -0.965 0.116 3.929) 4.048 3.281 ( 0.772 1.227 -0.996) 1.759 3.281 ( 0.772 1.227 0.996) 1.759 3.354 ( 3.202 3.041 -4.122) 6.041 3.354 ( 3.202 3.041 4.122) 6.041 3.500 ( -8.896 0.125 -4.172) 9.826 3.500 ( -8.896 0.125 4.172) 9.826 4.243 ( 0.860 0.505 -0.445) 1.092 4.243 ( 0.860 0.505 0.445) 1.092 4.304 ( -1.760 0.416 -0.921) 2.029 4.304 ( -1.760 0.416 0.921) 2.029 4.505 ( -0.859 0.502 -4.305) 4.418 4.505 ( -0.859 0.502 4.305) 4.418 4.557 ( -1.815 -3.022 -3.921) 5.272 4.557 ( -1.815 -3.022 3.921) 5.272 4.810 ( -1.279 0.097 -0.704) 1.463 4.810 ( -1.279 0.097 0.704) 1.463 5.026 ( 1.970 1.074 -1.671) 2.798 5.026 ( 1.970 1.074 1.671) 2.798 5.262 ( -0.879 -1.478 -4.290) 4.622 5.262 ( -0.879 -1.478 4.290) 4.622 5.444 ( -4.089 -0.504 -2.042) 4.599 5.444 ( -4.089 -0.504 2.042) 4.599 5.754 ( 1.009 -0.379 -2.794) 2.994 5.754 ( 1.009 -0.379 2.794) 2.994 5.850 ( 2.909 -0.063 -2.709) 3.975 5.850 ( 2.909 -0.063 2.709) 3.975 5.905 ( 3.362 -0.153 -0.563) 3.412 5.905 ( 3.362 -0.153 0.563) 3.412 ======================= Grid point 440 (131/147) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -8.454 0.160 -1.110) 8.528 1.388 ( -8.454 0.160 1.110) 8.528 1.596 ( -5.818 -2.676 -0.654) 6.437 1.596 ( -5.818 -2.676 0.654) 6.437 1.818 ( -5.711 0.756 -2.395) 6.239 1.818 ( -5.711 0.756 2.395) 6.239 1.869 ( -2.043 -1.938 -1.622) 3.250 1.869 ( -2.043 -1.938 1.622) 3.250 1.902 ( -3.086 -0.821 -5.625) 6.468 1.902 ( -3.086 -0.821 5.625) 6.468 2.028 ( -0.343 -4.003 -7.719) 8.702 2.028 ( -0.343 -4.003 7.719) 8.702 2.379 ( 3.033 4.371 -8.613) 10.124 2.379 ( 3.033 4.371 8.613) 10.124 2.525 ( -0.002 -3.386 -4.932) 5.983 2.525 ( -0.002 -3.386 4.932) 5.983 2.669 ( -0.968 1.131 -4.555) 4.792 2.669 ( -0.968 1.131 4.555) 4.792 2.953 ( -7.248 0.365 -1.966) 7.519 2.953 ( -7.248 0.365 1.966) 7.519 3.237 ( -6.087 2.635 -2.744) 7.178 3.237 ( -6.087 2.635 2.744) 7.178 3.306 ( -6.032 1.235 -1.865) 6.433 3.306 ( -6.032 1.235 1.865) 6.433 3.394 ( 0.955 1.557 -3.606) 4.042 3.394 ( 0.956 1.557 3.606) 4.042 4.244 ( -2.555 0.804 -0.744) 2.780 4.244 ( -2.555 0.804 0.744) 2.780 4.276 ( 0.603 0.414 -0.510) 0.891 4.276 ( 0.603 0.414 0.510) 0.891 4.515 ( 3.341 0.320 -4.889) 5.930 4.515 ( 3.341 0.320 4.889) 5.930 4.576 ( 0.838 -3.652 -4.391) 5.772 4.576 ( 0.838 -3.652 4.391) 5.772 4.805 ( 0.743 -0.408 -0.990) 1.303 4.805 ( 0.743 -0.408 0.990) 1.303 4.996 ( -4.250 2.041 -1.659) 4.998 4.996 ( -4.250 2.041 1.659) 4.998 5.253 ( -1.140 -1.866 -4.226) 4.758 5.253 ( -1.140 -1.866 4.226) 4.758 5.407 ( -0.141 -2.367 -0.533) 2.430 5.407 ( -0.141 -2.367 0.533) 2.430 5.777 ( 1.173 -0.595 -2.388) 2.726 5.777 ( 1.173 -0.595 2.388) 2.726 5.904 ( 2.431 0.135 -2.292) 3.344 5.904 ( 2.431 0.135 2.292) 3.344 5.970 ( 3.314 -0.244 -0.596) 3.376 5.970 ( 3.314 -0.244 0.596) 3.376 ======================= Grid point 442 (132/147) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -8.183 0.444 -1.169) 8.278 1.229 ( -8.183 0.444 1.169) 8.278 1.473 ( -7.766 1.324 -1.509) 8.021 1.473 ( -7.766 1.324 1.509) 8.021 1.657 ( -9.524 -0.877 -1.406) 9.667 1.657 ( -9.524 -0.877 1.406) 9.667 1.786 ( -5.236 -4.474 -1.798) 7.118 1.786 ( -5.236 -4.474 1.798) 7.118 1.930 ( 2.407 -1.197 -1.783) 3.226 1.930 ( 2.407 -1.197 1.783) 3.226 2.103 ( 3.821 -3.078 -7.173) 8.690 2.103 ( 3.821 -3.078 7.173) 8.690 2.358 ( -7.540 2.046 -4.940) 9.243 2.358 ( -7.540 2.046 4.940) 9.243 2.447 ( -7.898 -1.055 -5.390) 9.620 2.447 ( -7.898 -1.055 5.390) 9.620 2.651 ( -1.188 0.067 -1.412) 1.847 2.651 ( -1.188 0.067 1.412) 1.847 2.768 ( -7.661 3.830 -2.244) 8.855 2.768 ( -7.661 3.830 2.244) 8.855 3.090 ( -5.673 2.447 -1.963) 6.483 3.090 ( -5.673 2.447 1.963) 6.483 3.224 ( -3.700 -0.812 -3.766) 5.341 3.224 ( -3.700 -0.812 3.766) 5.341 3.416 ( 1.906 1.070 -4.206) 4.740 3.416 ( 1.906 1.070 4.206) 4.740 4.158 ( -5.476 0.755 -0.835) 5.590 4.158 ( -5.476 0.755 0.835) 5.590 4.289 ( -0.433 -1.102 -0.417) 1.255 4.289 ( -0.433 -1.102 0.417) 1.255 4.580 ( 1.182 -0.657 -4.416) 4.619 4.580 ( 1.182 -0.657 4.416) 4.619 4.640 ( 5.418 0.182 -3.322) 6.358 4.640 ( 5.418 0.182 3.322) 6.358 4.822 ( -3.732 -0.641 -0.918) 3.896 4.822 ( -3.732 -0.641 0.918) 3.896 4.873 ( -2.275 1.074 -1.741) 3.059 4.873 ( -2.275 1.074 1.741) 3.059 5.253 ( 0.635 -1.149 -1.338) 1.875 5.253 ( 0.635 -1.149 1.338) 1.875 5.461 ( 3.631 -4.119 -3.813) 6.685 5.461 ( 3.631 -4.119 3.813) 6.685 5.802 ( 1.035 -0.667 -2.122) 2.453 5.802 ( 1.035 -0.667 2.122) 2.453 5.929 ( 0.144 0.178 -1.251) 1.272 5.929 ( 0.144 0.178 1.251) 1.272 6.037 ( 3.882 0.175 -0.587) 3.930 6.037 ( 3.882 0.175 0.587) 3.930 ======================= Grid point 444 (133/147) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -7.682 2.668 -5.466) 9.798 1.071 ( -7.682 2.668 5.466) 9.798 1.307 ( -7.267 5.282 -3.863) 9.779 1.307 ( -7.267 5.282 3.863) 9.779 1.499 ( -7.530 -2.023 -2.120) 8.080 1.499 ( -7.530 -2.023 2.120) 8.080 1.731 ( -3.802 -3.707 -2.301) 5.787 1.731 ( -3.802 -3.707 2.301) 5.787 1.967 ( -1.410 -1.897 -2.277) 3.282 1.967 ( -1.410 -1.897 2.277) 3.282 2.028 ( -18.373 1.031 -1.403) 18.455 2.028 ( -18.373 1.031 1.403) 18.455 2.163 ( -0.010 -0.464 -4.974) 4.996 2.163 ( -0.010 -0.464 4.974) 4.996 2.308 ( -10.716 -1.498 -9.514) 14.409 2.308 ( -10.716 -1.498 9.514) 14.409 2.590 ( 0.346 3.444 -1.665) 3.841 2.590 ( 0.346 3.444 1.665) 3.841 2.715 ( 0.104 0.881 -5.452) 5.524 2.715 ( 0.104 0.881 5.452) 5.524 3.003 ( -3.806 -1.326 -4.191) 5.814 3.003 ( -3.806 -1.326 4.191) 5.814 3.183 ( -0.992 -1.712 -3.299) 3.847 3.183 ( -0.992 -1.712 3.299) 3.847 3.453 ( 2.687 1.233 -4.554) 5.430 3.453 ( 2.687 1.233 4.554) 5.430 4.016 ( -10.525 -0.812 -2.176) 10.778 4.016 ( -10.525 -0.812 2.176) 10.778 4.253 ( -4.081 -1.758 -0.608) 4.485 4.253 ( -4.081 -1.758 0.608) 4.485 4.525 ( -7.223 2.066 -1.412) 7.644 4.525 ( -7.223 2.066 1.412) 7.644 4.682 ( -0.118 0.669 -4.527) 4.578 4.682 ( -0.118 0.669 4.527) 4.578 4.766 ( 2.663 0.516 -1.489) 3.094 4.766 ( 2.663 0.516 1.489) 3.094 4.938 ( 4.870 -0.685 -2.901) 5.710 4.938 ( 4.870 -0.685 2.901) 5.710 5.292 ( 2.659 -0.827 -1.518) 3.171 5.292 ( 2.659 -0.827 1.518) 3.171 5.576 ( 5.698 -4.337 -4.804) 8.623 5.576 ( 5.698 -4.337 4.804) 8.623 5.823 ( 0.708 -0.645 -1.780) 2.021 5.823 ( 0.708 -0.645 1.780) 2.021 5.912 ( -1.559 -0.031 -0.345) 1.597 5.912 ( -1.559 -0.031 0.345) 1.597 6.114 ( 4.489 1.020 -1.374) 4.804 6.114 ( 4.489 1.020 1.374) 4.804 ======================= Grid point 446 (134/147) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -4.439 6.454 -9.598) 12.388 0.925 ( -4.439 6.454 9.598) 12.388 1.147 ( -5.886 9.311 -6.681) 12.883 1.147 ( -5.886 9.311 6.681) 12.883 1.391 ( -5.222 -0.330 -2.636) 5.859 1.391 ( -5.222 -0.330 2.636) 5.859 1.593 ( -12.294 -0.872 -3.847) 12.911 1.593 ( -12.294 -0.872 3.847) 12.911 1.765 ( -3.928 -2.574 -2.709) 5.422 1.765 ( -3.928 -2.574 2.709) 5.422 1.960 ( -3.728 3.137 -5.904) 7.655 1.960 ( -3.728 3.137 5.904) 7.655 2.048 ( -7.775 -6.228 -8.804) 13.295 2.048 ( -7.775 -6.228 8.804) 13.295 2.216 ( 0.065 1.978 -4.228) 4.668 2.216 ( 0.065 1.978 4.228) 4.668 2.631 ( 3.411 -0.133 -0.917) 3.535 2.631 ( 3.411 -0.133 0.917) 3.535 2.712 ( -0.460 -0.803 -3.595) 3.712 2.712 ( -0.460 -0.803 3.595) 3.712 2.952 ( -2.634 -3.295 -1.024) 4.341 2.952 ( -2.634 -3.295 1.024) 4.341 3.200 ( 1.311 -1.828 -2.257) 3.187 3.200 ( 1.311 -1.828 2.257) 3.187 3.497 ( 2.510 1.621 -5.151) 5.955 3.497 ( 2.510 1.621 5.151) 5.955 3.756 ( -15.939 -0.854 -3.571) 16.357 3.756 ( -15.939 -0.854 3.571) 16.357 4.182 ( -3.428 -0.926 -0.309) 3.564 4.182 ( -3.428 -0.926 0.309) 3.564 4.395 ( -4.450 0.216 -1.744) 4.785 4.395 ( -4.450 0.216 1.744) 4.785 4.690 ( 0.987 2.222 -6.765) 7.188 4.690 ( 0.987 2.222 6.765) 7.188 4.805 ( 1.690 1.819 -2.362) 3.427 4.805 ( 1.690 1.819 2.362) 3.427 5.024 ( 3.276 -1.118 -3.341) 4.811 5.024 ( 3.276 -1.118 3.341) 4.811 5.344 ( 2.013 -0.302 -3.911) 4.409 5.344 ( 2.013 -0.302 3.911) 4.409 5.709 ( 5.438 -3.909 -4.290) 7.954 5.709 ( 5.438 -3.909 4.290) 7.954 5.831 ( -0.538 -0.916 -0.844) 1.357 5.831 ( -0.538 -0.916 0.844) 1.357 5.884 ( -1.061 -0.348 -0.450) 1.203 5.884 ( -1.061 -0.348 0.450) 1.203 6.186 ( 3.583 1.291 -3.028) 4.866 6.186 ( 3.583 1.291 3.028) 4.866 ======================= Grid point 448 (135/147) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 8.886 -11.789) 14.763 0.849 ( 0.000 8.886 11.789) 14.763 0.998 ( 0.000 14.348 -8.256) 16.554 0.998 ( 0.000 14.348 8.256) 16.554 1.320 ( 0.000 2.531 -5.569) 6.118 1.320 ( 0.000 2.531 5.569) 6.118 1.483 ( -0.000 -3.112 -3.381) 4.595 1.483 ( -0.000 -3.112 3.381) 4.595 1.751 ( -0.000 -1.290 -1.986) 2.368 1.751 ( -0.000 -1.290 1.986) 2.368 1.872 ( 0.000 3.946 -9.190) 10.001 1.872 ( 0.000 3.946 9.190) 10.001 2.043 ( -0.000 -10.792 -5.397) 12.066 2.043 ( -0.000 -10.792 5.397) 12.066 2.210 ( 0.000 1.498 -6.671) 6.837 2.210 ( 0.000 1.498 6.671) 6.837 2.681 ( 0.000 0.009 -1.578) 1.578 2.681 ( 0.000 0.009 1.578) 1.578 2.705 ( -0.000 -1.817 -0.148) 1.823 2.705 ( -0.000 -1.817 0.148) 1.823 2.948 ( -0.000 -3.627 -2.517) 4.415 2.948 ( -0.000 -3.627 2.517) 4.415 3.232 ( -0.000 -2.032 -2.734) 3.406 3.232 ( -0.000 -2.032 2.734) 3.406 3.526 ( 0.000 1.016 -0.066) 1.018 3.526 ( 0.000 1.016 0.066) 1.018 3.548 ( 0.000 2.552 -7.507) 7.929 3.548 ( 0.000 2.552 7.507) 7.929 4.152 ( -0.000 -0.788 -0.071) 0.791 4.152 ( -0.000 -0.788 0.071) 0.791 4.357 ( -0.000 -0.798 -1.840) 2.006 4.357 ( -0.000 -0.798 1.840) 2.006 4.683 ( 0.000 3.563 -6.877) 7.745 4.683 ( 0.000 3.563 6.877) 7.745 4.810 ( 0.000 2.223 -2.899) 3.654 4.810 ( 0.000 2.223 2.900) 3.654 5.065 ( -0.000 -2.159 -2.787) 3.526 5.065 ( -0.000 -2.159 2.787) 3.526 5.363 ( 0.000 0.196 -4.872) 4.876 5.363 ( 0.000 0.196 4.872) 4.876 5.805 ( 0.000 0.294 -0.651) 0.714 5.805 ( 0.000 0.294 0.651) 0.714 5.806 ( -0.000 -4.283 -4.229) 6.019 5.806 ( -0.000 -4.283 4.229) 6.019 5.881 ( -0.000 -0.804 -0.819) 1.148 5.881 ( -0.000 -0.804 0.819) 1.148 6.220 ( 0.000 0.291 -4.463) 4.473 6.220 ( 0.000 0.291 4.463) 4.473 ======================= Grid point 462 (136/147) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -6.004 0.000 -1.462) 6.180 1.537 ( -6.004 0.000 1.462) 6.180 1.687 ( -7.934 0.000 -2.950) 8.465 1.687 ( -7.934 0.000 2.950) 8.465 1.827 ( 0.560 -0.000 -1.123) 1.255 1.827 ( 0.560 -0.000 1.123) 1.255 1.852 ( 3.631 -0.000 -4.974) 6.158 1.852 ( 3.631 -0.000 4.974) 6.158 1.997 ( -6.776 0.000 -1.550) 6.951 1.997 ( -6.776 0.000 1.550) 6.951 2.126 ( -9.274 0.000 -4.746) 10.418 2.126 ( -9.274 0.000 4.746) 10.418 2.335 ( 6.112 -0.000 -6.667) 9.045 2.335 ( 6.112 -0.000 6.667) 9.045 2.468 ( 0.523 -0.000 -7.411) 7.429 2.468 ( 0.523 -0.000 7.411) 7.429 2.671 ( 1.444 -0.000 -3.919) 4.177 2.671 ( 1.444 -0.000 3.919) 4.177 3.021 ( -1.040 0.000 -3.988) 4.122 3.021 ( -1.040 0.000 3.988) 4.122 3.286 ( 0.232 -0.000 -1.061) 1.086 3.286 ( 0.232 -0.000 1.061) 1.086 3.374 ( 3.535 -0.000 -3.897) 5.261 3.374 ( 3.535 -0.000 3.897) 5.261 3.500 ( -8.771 0.000 -1.934) 8.982 3.500 ( -8.771 0.000 1.934) 8.982 4.246 ( 0.732 -0.000 -0.025) 0.732 4.246 ( 0.732 -0.000 0.025) 0.732 4.307 ( -1.562 0.000 -1.191) 1.964 4.307 ( -1.562 0.000 1.191) 1.964 4.509 ( 0.621 -0.000 -2.471) 2.548 4.509 ( 0.621 -0.000 2.471) 2.548 4.539 ( -3.430 0.000 -3.189) 4.684 4.539 ( -3.430 0.000 3.189) 4.684 4.810 ( -1.409 0.000 -0.493) 1.493 4.810 ( -1.409 0.000 0.493) 1.493 5.032 ( 2.214 -0.000 -1.217) 2.526 5.032 ( 2.214 -0.000 1.217) 2.526 5.254 ( -1.112 0.000 -4.098) 4.246 5.254 ( -1.112 0.000 4.098) 4.246 5.442 ( -4.306 0.000 -2.041) 4.765 5.442 ( -4.306 0.000 2.041) 4.765 5.752 ( 0.989 -0.000 -2.736) 2.909 5.752 ( 0.989 -0.000 2.736) 2.909 5.850 ( 2.950 -0.000 -2.670) 3.979 5.850 ( 2.950 -0.000 2.670) 3.979 5.904 ( 3.325 -0.000 -0.523) 3.365 5.904 ( 3.325 -0.000 0.523) 3.365 ======================= Grid point 466 (137/147) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -8.659 0.086 -0.632) 8.682 1.390 ( -8.659 0.086 0.632) 8.682 1.575 ( -4.533 -1.054 -0.873) 4.735 1.575 ( -4.533 -1.054 0.873) 4.735 1.826 ( -6.379 0.836 -1.975) 6.730 1.826 ( -6.379 0.836 1.975) 6.730 1.842 ( -5.294 -2.077 -1.194) 5.811 1.842 ( -5.294 -2.077 1.194) 5.811 1.909 ( -0.235 0.900 -6.418) 6.485 1.909 ( -0.235 0.900 6.418) 6.485 1.995 ( -0.694 -1.803 -4.900) 5.267 1.995 ( -0.694 -1.803 4.900) 5.267 2.427 ( 2.910 4.002 -7.367) 8.875 2.427 ( 2.910 4.002 7.367) 8.875 2.486 ( 0.802 -3.533 -5.817) 6.853 2.486 ( 0.802 -3.533 5.817) 6.853 2.678 ( -1.062 0.410 -3.839) 4.005 2.678 ( -1.062 0.410 3.839) 4.005 2.956 ( -6.795 0.104 -2.178) 7.137 2.956 ( -6.795 0.104 2.178) 7.137 3.257 ( -4.219 0.911 -2.107) 4.803 3.257 ( -4.219 0.911 2.107) 4.803 3.313 ( -8.357 0.205 -1.229) 8.450 3.313 ( -8.357 0.205 1.229) 8.450 3.409 ( 0.742 0.826 -3.357) 3.536 3.409 ( 0.742 0.826 3.357) 3.536 4.250 ( -1.560 0.283 -0.810) 1.780 4.250 ( -1.560 0.283 0.810) 1.780 4.280 ( -0.763 0.261 -0.700) 1.068 4.280 ( -0.763 0.261 0.700) 1.068 4.521 ( 2.385 0.595 -3.964) 4.664 4.521 ( 2.385 0.595 3.964) 4.664 4.543 ( 2.364 -1.967 -3.617) 4.748 4.543 ( 2.364 -1.967 3.617) 4.748 4.802 ( 0.543 -0.172 -0.720) 0.918 4.802 ( 0.543 -0.172 0.720) 0.918 5.012 ( -4.298 0.802 -0.712) 4.429 5.012 ( -4.298 0.802 0.712) 4.429 5.237 ( -0.804 -0.842 -4.959) 5.094 5.237 ( -0.804 -0.842 4.959) 5.094 5.390 ( -0.713 -0.726 -0.364) 1.081 5.390 ( -0.713 -0.726 0.364) 1.081 5.773 ( 1.194 -0.196 -2.324) 2.619 5.773 ( 1.194 -0.196 2.324) 2.619 5.905 ( 2.494 0.049 -2.148) 3.292 5.905 ( 2.494 0.049 2.148) 3.292 5.968 ( 3.360 -0.106 -0.399) 3.385 5.968 ( 3.360 -0.106 0.399) 3.385 ======================= Grid point 468 (138/147) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -7.727 0.246 -1.626) 7.900 1.233 ( -7.727 0.246 1.626) 7.900 1.489 ( -5.199 1.503 -1.692) 5.671 1.489 ( -5.199 1.503 1.692) 5.671 1.654 ( -9.397 0.564 -1.641) 9.555 1.654 ( -9.397 0.564 1.641) 9.555 1.730 ( -6.611 -5.345 -1.207) 8.587 1.730 ( -6.611 -5.345 1.207) 8.587 1.926 ( 2.008 0.262 -2.892) 3.531 1.926 ( 2.008 0.262 2.892) 3.531 2.075 ( 4.991 -1.986 -6.388) 8.346 2.075 ( 4.991 -1.986 6.388) 8.346 2.383 ( -9.407 2.352 -3.931) 10.463 2.383 ( -9.407 2.352 3.931) 10.463 2.432 ( -7.972 -1.575 -4.148) 9.123 2.432 ( -7.972 -1.575 4.148) 9.123 2.652 ( -0.178 0.060 -1.576) 1.587 2.652 ( -0.178 0.060 1.576) 1.587 2.802 ( -6.237 2.275 -2.209) 6.997 2.802 ( -6.237 2.275 2.209) 6.997 3.119 ( -7.163 2.458 -2.349) 7.929 3.119 ( -7.163 2.458 2.349) 7.929 3.211 ( -4.366 -1.385 -2.897) 5.419 3.211 ( -4.366 -1.385 2.897) 5.419 3.425 ( 1.574 0.538 -3.648) 4.009 3.425 ( 1.574 0.538 3.648) 4.009 4.168 ( -5.941 1.017 -1.222) 6.150 4.168 ( -5.941 1.017 1.222) 6.150 4.274 ( -1.246 -1.502 -0.312) 1.976 4.274 ( -1.246 -1.502 0.312) 1.976 4.574 ( 2.272 -0.421 -4.255) 4.842 4.574 ( 2.272 -0.421 4.255) 4.842 4.642 ( 6.622 0.046 -3.172) 7.342 4.642 ( 6.622 0.046 3.172) 7.342 4.816 ( -2.674 -0.474 -0.976) 2.886 4.816 ( -2.674 -0.474 0.976) 2.886 4.885 ( -4.245 0.931 -1.125) 4.489 4.885 ( -4.245 0.931 1.125) 4.489 5.240 ( 0.829 -0.974 -2.636) 2.930 5.240 ( 0.829 -0.974 2.636) 2.930 5.428 ( 3.683 -1.977 -2.972) 5.129 5.428 ( 3.683 -1.977 2.972) 5.129 5.797 ( 1.115 -0.323 -2.134) 2.429 5.797 ( 1.115 -0.323 2.134) 2.429 5.930 ( 0.057 0.073 -0.999) 1.003 5.930 ( 0.057 0.073 0.999) 1.003 6.038 ( 4.191 0.060 -0.225) 4.197 6.038 ( 4.191 0.060 0.225) 4.197 ======================= Grid point 470 (139/147) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -6.728 1.286 -5.518) 8.796 1.093 ( -6.728 1.286 5.518) 8.796 1.366 ( -5.298 5.031 -1.663) 7.493 1.366 ( -5.298 5.031 1.663) 7.493 1.486 ( -7.294 0.207 -1.671) 7.486 1.486 ( -7.294 0.207 1.671) 7.486 1.678 ( -3.181 -5.896 -1.215) 6.809 1.678 ( -3.181 -5.896 1.215) 6.809 1.953 ( -1.186 -0.509 -2.215) 2.564 1.953 ( -1.186 -0.509 2.215) 2.564 2.028 ( -20.194 -0.704 -1.597) 20.269 2.028 ( -20.194 -0.704 1.597) 20.269 2.161 ( 1.784 -0.186 -4.637) 4.972 2.161 ( 1.784 -0.186 4.637) 4.972 2.294 ( -8.915 -0.822 -7.658) 11.781 2.294 ( -8.915 -0.822 7.658) 11.781 2.625 ( -1.188 2.494 -1.653) 3.220 2.625 ( -1.188 2.494 1.653) 3.220 2.734 ( -0.583 2.525 -4.734) 5.396 2.734 ( -0.583 2.525 4.734) 5.396 2.989 ( -5.967 -1.271 -3.575) 7.071 2.989 ( -5.967 -1.271 3.575) 7.071 3.166 ( -0.896 -1.342 -1.590) 2.265 3.166 ( -0.896 -1.342 1.590) 2.265 3.461 ( 2.496 0.375 -3.881) 4.629 3.461 ( 2.496 0.375 3.881) 4.629 4.009 ( -11.379 -0.445 -2.158) 11.591 4.009 ( -11.379 -0.445 2.158) 11.591 4.236 ( -3.527 -1.432 -0.099) 3.808 4.236 ( -3.527 -1.432 0.099) 3.808 4.542 ( -7.846 1.058 -0.728) 7.951 4.542 ( -7.846 1.058 0.728) 7.951 4.686 ( -0.151 0.169 -4.755) 4.761 4.686 ( -0.151 0.169 4.755) 4.761 4.772 ( 3.823 0.507 -0.950) 3.971 4.772 ( 3.823 0.507 0.950) 3.971 4.936 ( 5.171 0.228 -3.705) 6.365 4.936 ( 5.171 0.228 3.705) 6.365 5.281 ( 2.632 -1.122 -0.638) 2.932 5.281 ( 2.632 -1.122 0.638) 2.932 5.537 ( 5.998 -2.721 -4.208) 7.816 5.537 ( 5.998 -2.721 4.208) 7.816 5.817 ( 0.746 -0.388 -1.895) 2.073 5.817 ( 0.746 -0.388 1.895) 2.073 5.912 ( -1.674 -0.040 -0.089) 1.677 5.912 ( -1.674 -0.040 0.089) 1.677 6.123 ( 4.889 0.716 -0.632) 4.981 6.123 ( 4.889 0.716 0.632) 4.981 ======================= Grid point 472 (140/147) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -4.039 2.935 -8.813) 10.129 0.975 ( -4.039 2.935 8.813) 10.129 1.247 ( -3.419 8.385 -3.044) 9.553 1.247 ( -3.419 8.385 3.044) 9.553 1.385 ( -3.833 -0.172 -3.701) 5.331 1.385 ( -3.833 -0.172 3.701) 5.331 1.583 ( -12.401 -1.056 -3.437) 12.911 1.583 ( -12.401 -1.056 3.437) 12.911 1.722 ( -4.508 -4.839 -2.064) 6.928 1.722 ( -4.508 -4.839 2.064) 6.928 1.956 ( -4.356 -2.940 -4.946) 7.217 1.956 ( -4.356 -2.940 4.946) 7.217 2.032 ( -7.836 2.237 -5.526) 9.846 2.032 ( -7.836 2.237 5.526) 9.846 2.246 ( 1.464 3.312 -1.845) 4.064 2.246 ( 1.464 3.312 1.845) 4.064 2.627 ( 1.893 -0.307 -0.625) 2.017 2.627 ( 1.893 -0.307 0.625) 2.017 2.708 ( -1.439 0.225 -4.414) 4.648 2.708 ( -1.439 0.225 4.414) 4.648 2.914 ( -3.210 -3.610 -0.292) 4.839 2.914 ( -3.210 -3.610 0.292) 4.839 3.184 ( 1.658 -1.074 -1.550) 2.511 3.184 ( 1.658 -1.074 1.550) 2.511 3.508 ( 2.381 0.428 -4.564) 5.166 3.508 ( 2.381 0.428 4.564) 5.166 3.748 ( -14.911 -0.657 -2.722) 15.171 3.748 ( -14.911 -0.657 2.722) 15.171 4.174 ( -3.010 -0.564 -0.045) 3.063 4.174 ( -3.010 -0.564 0.045) 3.063 4.394 ( -5.545 -0.279 -1.604) 5.778 4.394 ( -5.545 -0.279 1.604) 5.778 4.708 ( 1.437 1.036 -6.407) 6.648 4.708 ( 1.437 1.036 6.407) 6.648 4.823 ( 1.963 1.464 -1.872) 3.082 4.823 ( 1.963 1.464 1.872) 3.082 5.022 ( 3.535 0.570 -4.828) 6.011 5.022 ( 3.535 0.570 4.828) 6.011 5.337 ( 2.200 -0.957 -2.775) 3.668 5.337 ( 2.200 -0.957 2.775) 3.668 5.665 ( 5.269 -3.665 -4.098) 7.615 5.665 ( 5.269 -3.665 4.098) 7.615 5.824 ( -0.524 -0.481 -1.112) 1.320 5.824 ( -0.524 -0.481 1.112) 1.320 5.882 ( -1.089 -0.104 -0.969) 1.461 5.882 ( -1.089 -0.104 0.969) 1.461 6.202 ( 3.648 1.425 -1.889) 4.349 6.202 ( 3.648 1.425 1.889) 4.349 ======================= Grid point 474 (141/147) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 4.228 -10.832) 11.628 0.919 ( 0.000 4.228 10.832) 11.628 1.148 ( 0.000 12.573 -4.696) 13.422 1.148 ( 0.000 12.573 4.696) 13.422 1.341 ( 0.000 0.634 -3.830) 3.882 1.341 ( 0.000 0.634 3.830) 3.882 1.454 ( -0.000 -1.761 -3.364) 3.797 1.454 ( -0.000 -1.761 3.364) 3.797 1.729 ( -0.000 -2.792 -1.835) 3.341 1.729 ( -0.000 -2.792 1.835) 3.341 1.876 ( -0.000 -4.490 -9.134) 10.178 1.876 ( -0.000 -4.490 9.134) 10.178 1.981 ( 0.000 1.066 -6.736) 6.820 1.981 ( 0.000 1.066 6.736) 6.820 2.240 ( 0.000 3.943 -2.327) 4.579 2.240 ( 0.000 3.943 2.327) 4.579 2.671 ( -0.000 -1.596 -1.871) 2.459 2.671 ( -0.000 -1.596 1.871) 2.459 2.686 ( -0.000 -1.702 -0.292) 1.727 2.686 ( -0.000 -1.702 0.292) 1.727 2.905 ( -0.000 -3.850 -3.622) 5.286 2.905 ( -0.000 -3.850 3.622) 5.286 3.216 ( -0.000 -1.081 -2.195) 2.446 3.216 ( -0.000 -1.081 2.195) 2.446 3.537 ( 0.000 0.935 -0.029) 0.936 3.537 ( 0.000 0.935 0.029) 0.936 3.565 ( 0.000 0.766 -6.890) 6.933 3.565 ( 0.000 0.766 6.890) 6.933 4.145 ( -0.000 -0.457 -0.066) 0.462 4.145 ( -0.000 -0.457 0.066) 0.462 4.347 ( -0.000 -1.032 -1.740) 2.023 4.347 ( -0.000 -1.032 1.740) 2.023 4.714 ( 0.000 1.968 -6.650) 6.935 4.714 ( 0.000 1.968 6.650) 6.935 4.832 ( 0.000 1.875 -1.903) 2.671 4.832 ( 0.000 1.875 1.903) 2.671 5.054 ( 0.000 0.077 -4.268) 4.269 5.054 ( 0.000 0.077 4.268) 4.269 5.362 ( -0.000 -0.418 -4.136) 4.157 5.362 ( -0.000 -0.418 4.136) 4.157 5.751 ( -0.000 -5.197 -4.260) 6.720 5.751 ( -0.000 -5.197 4.260) 6.720 5.808 ( 0.000 0.276 -0.642) 0.699 5.808 ( 0.000 0.276 0.642) 0.699 5.876 ( -0.000 -0.271 -1.568) 1.591 5.876 ( -0.000 -0.271 1.568) 1.591 6.231 ( 0.000 1.463 -3.130) 3.455 6.231 ( 0.000 1.463 3.130) 3.455 ======================= Grid point 492 (142/147) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -7.608 0.000 -1.427) 7.740 1.235 ( -7.608 0.000 1.427) 7.740 1.499 ( -3.956 0.000 -1.921) 4.398 1.499 ( -3.956 0.000 1.921) 4.398 1.668 ( -7.193 0.000 -3.963) 8.213 1.668 ( -7.193 0.000 3.963) 8.213 1.687 ( -9.418 0.000 -1.470) 9.532 1.687 ( -9.418 0.000 1.470) 9.532 1.929 ( 1.698 -0.000 -2.089) 2.692 1.929 ( 1.698 -0.000 2.089) 2.692 2.063 ( 5.414 -0.000 -2.954) 6.167 2.063 ( 5.414 -0.000 2.954) 6.167 2.402 ( -13.766 0.000 -0.349) 13.770 2.402 ( -13.766 0.000 0.349) 13.770 2.417 ( -4.261 0.000 -0.950) 4.365 2.417 ( -4.261 0.000 0.950) 4.365 2.652 ( 0.001 -0.000 -1.581) 1.581 2.652 ( 0.001 -0.000 1.581) 1.581 2.815 ( -5.514 0.000 -2.575) 6.086 2.815 ( -5.514 0.000 2.575) 6.086 3.135 ( -7.906 0.000 -3.277) 8.559 3.135 ( -7.906 0.000 3.277) 8.559 3.201 ( -4.360 0.000 -1.385) 4.575 3.201 ( -4.360 0.000 1.385) 4.575 3.428 ( 1.373 -0.000 -3.360) 3.630 3.428 ( 1.373 -0.000 3.360) 3.630 4.175 ( -6.274 0.000 -1.542) 6.460 4.175 ( -6.274 0.000 1.542) 6.460 4.264 ( -1.384 0.000 -0.633) 1.522 4.264 ( -1.384 0.000 0.633) 1.522 4.572 ( 2.747 -0.000 -4.159) 4.984 4.572 ( 2.747 -0.000 4.159) 4.984 4.642 ( 6.936 -0.000 -3.123) 7.607 4.642 ( 6.936 -0.000 3.123) 7.607 4.813 ( -2.427 0.000 -0.996) 2.623 4.813 ( -2.427 0.000 0.996) 2.623 4.891 ( -4.750 0.000 -0.622) 4.791 4.891 ( -4.750 0.000 0.622) 4.791 5.235 ( 0.915 -0.000 -3.210) 3.338 5.235 ( 0.915 -0.000 3.210) 3.338 5.418 ( 3.686 -0.000 -2.536) 4.474 5.418 ( 3.686 -0.000 2.536) 4.474 5.795 ( 1.140 -0.000 -2.140) 2.425 5.795 ( 1.140 -0.000 2.140) 2.425 5.930 ( 0.022 -0.000 -0.916) 0.916 5.930 ( 0.022 -0.000 0.916) 0.916 6.038 ( 4.308 -0.000 -0.287) 4.317 6.038 ( 4.308 -0.000 0.287) 4.317 ======================= Grid point 496 (143/147) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -6.469 0.314 -4.537) 7.907 1.101 ( -6.469 0.314 4.537) 7.907 1.401 ( -5.884 1.137 -0.664) 6.029 1.401 ( -5.884 1.137 0.664) 6.029 1.517 ( -5.286 4.959 -1.058) 7.325 1.517 ( -5.286 4.959 1.058) 7.325 1.607 ( -2.817 -6.440 -1.674) 7.226 1.607 ( -2.817 -6.440 1.674) 7.226 1.952 ( -0.262 0.135 -2.211) 2.231 1.952 ( -0.262 0.135 2.211) 2.231 2.020 ( -22.182 -0.488 -2.326) 22.309 2.020 ( -22.182 -0.488 2.326) 22.309 2.158 ( 2.550 -0.271 -4.359) 5.058 2.158 ( 2.550 -0.271 4.359) 5.058 2.290 ( -7.850 -0.098 -4.806) 9.205 2.290 ( -7.850 -0.098 4.806) 9.205 2.641 ( -1.342 0.592 -1.281) 1.948 2.641 ( -1.342 0.592 1.281) 1.948 2.761 ( -0.834 1.712 -1.965) 2.736 2.761 ( -0.834 1.712 1.965) 2.736 2.977 ( -8.044 -0.654 -1.482) 8.205 2.977 ( -8.044 -0.654 1.482) 8.205 3.155 ( -0.551 -0.535 -0.630) 0.994 3.155 ( -0.551 -0.535 0.630) 0.994 3.463 ( 2.328 0.030 -3.301) 4.039 3.463 ( 2.328 0.030 3.301) 4.039 4.006 ( -11.976 -0.136 -2.151) 12.168 4.006 ( -11.976 -0.136 2.151) 12.168 4.224 ( -2.926 -0.556 -0.258) 2.990 4.224 ( -2.926 -0.556 0.258) 2.990 4.549 ( -8.283 0.303 -0.309) 8.294 4.549 ( -8.283 0.303 0.309) 8.294 4.687 ( -0.102 0.009 -4.621) 4.623 4.687 ( -0.102 0.009 4.621) 4.623 4.776 ( 4.389 0.197 -0.897) 4.484 4.776 ( 4.389 0.197 0.897) 4.484 4.939 ( 5.434 0.241 -4.193) 6.868 4.939 ( 5.434 0.241 4.193) 6.868 5.271 ( 2.577 -0.541 -1.300) 2.937 5.271 ( 2.577 -0.541 1.300) 2.937 5.517 ( 6.069 -0.893 -3.564) 7.094 5.517 ( 6.069 -0.893 3.564) 7.094 5.814 ( 0.761 -0.131 -1.951) 2.098 5.814 ( 0.761 -0.131 1.951) 2.098 5.911 ( -1.711 -0.019 -0.027) 1.711 5.911 ( -1.711 -0.019 0.027) 1.711 6.129 ( 5.148 0.259 -0.206) 5.158 6.129 ( 5.148 0.259 0.206) 5.158 ======================= Grid point 498 (144/147) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -3.970 1.016 -6.643) 7.805 0.995 ( -3.970 1.016 6.643) 7.805 1.301 ( -3.283 1.036 -1.901) 3.933 1.301 ( -3.283 1.036 1.901) 3.933 1.411 ( -4.305 5.103 -2.178) 7.023 1.411 ( -4.305 5.103 2.178) 7.023 1.570 ( -8.884 -1.268 -3.515) 9.638 1.570 ( -8.884 -1.268 3.515) 9.638 1.669 ( -6.559 -4.500 -0.507) 7.970 1.669 ( -6.559 -4.500 0.507) 7.970 1.932 ( -5.784 -1.352 -3.153) 6.725 1.932 ( -5.784 -1.352 3.153) 6.725 2.053 ( -5.961 1.246 -1.402) 6.249 2.053 ( -5.961 1.246 1.402) 6.249 2.280 ( 3.277 2.503 -3.929) 5.695 2.280 ( 3.277 2.503 3.929) 5.695 2.625 ( 0.233 -0.125 -0.830) 0.871 2.625 ( 0.233 -0.125 0.830) 0.871 2.717 ( -3.153 1.164 -4.141) 5.333 2.717 ( -3.153 1.164 4.141) 5.333 2.877 ( -3.089 -2.842 -2.793) 5.042 2.877 ( -3.089 -2.842 2.793) 5.042 3.176 ( 1.902 -0.546 -2.211) 2.967 3.176 ( 1.902 -0.546 2.211) 2.967 3.509 ( 2.303 -0.099 -3.547) 4.230 3.509 ( 2.303 -0.099 3.547) 4.230 3.742 ( -14.327 -0.364 -2.150) 14.492 3.742 ( -14.327 -0.364 2.150) 14.492 4.170 ( -2.674 -0.254 -0.104) 2.688 4.170 ( -2.674 -0.254 0.104) 2.688 4.391 ( -6.188 -0.293 -1.502) 6.375 4.391 ( -6.188 -0.293 1.502) 6.375 4.714 ( 1.536 0.252 -5.852) 6.056 4.714 ( 1.536 0.252 5.852) 6.056 4.837 ( 2.164 0.893 -2.533) 3.449 4.837 ( 2.164 0.893 2.533) 3.449 5.031 ( 3.874 0.908 -6.107) 7.290 5.031 ( 3.874 0.908 6.107) 7.290 5.325 ( 2.297 -0.983 -1.176) 2.762 5.325 ( 2.297 -0.983 1.176) 2.762 5.634 ( 4.828 -2.047 -3.284) 6.187 5.634 ( 4.828 -2.047 3.284) 6.187 5.820 ( -0.364 -0.198 -1.193) 1.263 5.820 ( -0.364 -0.198 1.193) 1.263 5.881 ( -1.075 -0.023 -1.124) 1.556 5.881 ( -1.075 -0.023 1.124) 1.556 6.215 ( 3.829 0.882 -0.980) 4.050 6.215 ( 3.829 0.882 0.980) 4.050 ======================= Grid point 500 (145/147) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 1.749 -8.246) 8.430 0.950 ( 0.000 1.749 8.246) 8.430 1.257 ( 0.000 6.742 -1.499) 6.906 1.257 ( 0.000 6.742 1.499) 6.906 1.327 ( -0.000 -2.762 -4.894) 5.620 1.327 ( -0.000 -2.762 4.894) 5.620 1.457 ( 0.000 2.923 -3.706) 4.720 1.457 ( 0.000 2.923 3.706) 4.720 1.689 ( -0.000 -4.582 -1.123) 4.717 1.689 ( -0.000 -4.582 1.123) 4.717 1.830 ( -0.000 -2.458 -8.846) 9.181 1.830 ( -0.000 -2.458 8.846) 9.181 2.009 ( 0.000 2.388 -3.585) 4.308 2.009 ( 0.000 2.388 3.585) 4.308 2.292 ( 0.000 5.139 -6.139) 8.006 2.292 ( 0.000 5.139 6.139) 8.006 2.649 ( -0.000 -2.215 -2.508) 3.346 2.649 ( -0.000 -2.215 2.508) 3.346 2.670 ( -0.000 -1.195 -0.331) 1.240 2.670 ( -0.000 -1.195 0.331) 1.240 2.868 ( -0.000 -2.732 -6.239) 6.811 2.868 ( -0.000 -2.732 6.239) 6.811 3.207 ( -0.000 -0.623 -2.999) 3.063 3.207 ( -0.000 -0.623 2.999) 3.063 3.546 ( 0.000 0.646 -0.104) 0.655 3.546 ( 0.000 0.646 0.104) 0.655 3.567 ( -0.000 -0.257 -5.589) 5.595 3.567 ( -0.000 -0.257 5.589) 5.595 4.142 ( -0.000 -0.126 -0.152) 0.198 4.142 ( -0.000 -0.126 0.152) 0.198 4.336 ( -0.000 -0.923 -1.658) 1.897 4.336 ( -0.000 -0.923 1.658) 1.897 4.727 ( 0.000 0.606 -6.027) 6.058 4.727 ( 0.000 0.606 6.027) 6.058 4.850 ( 0.000 1.388 -2.380) 2.755 4.850 ( 0.000 1.388 2.380) 2.755 5.063 ( 0.000 1.251 -5.815) 5.948 5.063 ( 0.000 1.251 5.815) 5.948 5.354 ( -0.000 -0.959 -2.551) 2.725 5.354 ( -0.000 -0.959 2.551) 2.725 5.701 ( -0.000 -3.784 -3.332) 5.042 5.701 ( -0.000 -3.784 3.332) 5.042 5.811 ( 0.000 0.195 -0.636) 0.665 5.811 ( 0.000 0.195 0.636) 0.665 5.874 ( -0.000 -0.086 -1.834) 1.836 5.874 ( -0.000 -0.086 1.834) 1.836 6.248 ( 0.000 1.366 -1.881) 2.325 6.248 ( 0.000 1.366 1.881) 2.325 ======================= Grid point 522 (146/147) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -3.899 0.000 -5.432) 6.686 1.001 ( -3.899 0.000 5.432) 6.686 1.301 ( -3.614 0.000 -2.186) 4.224 1.301 ( -3.614 0.000 2.186) 4.224 1.450 ( -7.625 0.000 -0.485) 7.640 1.450 ( -7.625 0.000 0.485) 7.640 1.562 ( -0.614 0.000 -3.803) 3.852 1.562 ( -0.614 0.000 3.803) 3.852 1.639 ( -11.115 0.000 -0.839) 11.147 1.639 ( -11.115 0.000 0.839) 11.147 1.925 ( -5.837 0.000 -1.681) 6.074 1.925 ( -5.837 0.000 1.681) 6.074 2.060 ( -5.547 0.000 -2.217) 5.973 2.060 ( -5.547 0.000 2.217) 5.973 2.295 ( 4.173 -0.000 -3.749) 5.610 2.295 ( 4.173 -0.000 3.749) 5.610 2.624 ( -0.383 0.000 -0.691) 0.790 2.624 ( -0.383 0.000 0.691) 0.790 2.726 ( -4.396 0.000 -1.757) 4.734 2.726 ( -4.396 0.000 1.757) 4.734 2.860 ( -2.649 0.000 -4.292) 5.043 2.860 ( -2.649 0.000 4.292) 5.043 3.173 ( 1.980 -0.000 -2.451) 3.151 3.173 ( 1.980 -0.000 2.451) 3.151 3.508 ( 2.274 -0.000 -2.957) 3.730 3.508 ( 2.274 -0.000 2.957) 3.730 3.740 ( -14.141 0.000 -1.950) 14.275 3.740 ( -14.141 0.000 1.950) 14.275 4.168 ( -2.538 0.000 -0.152) 2.543 4.168 ( -2.538 0.000 0.152) 2.543 4.389 ( -6.407 0.000 -1.462) 6.572 4.389 ( -6.407 0.000 1.462) 6.572 4.715 ( 1.541 -0.000 -5.631) 5.838 4.715 ( 1.541 -0.000 5.631) 5.838 4.842 ( 2.248 -0.000 -2.889) 3.661 4.842 ( 2.248 -0.000 2.889) 3.661 5.037 ( 4.027 -0.000 -6.661) 7.784 5.037 ( 4.027 -0.000 6.661) 7.784 5.319 ( 2.303 -0.000 -0.395) 2.337 5.319 ( 2.303 -0.000 0.395) 2.337 5.622 ( 4.640 -0.000 -2.860) 5.450 5.622 ( 4.640 -0.000 2.860) 5.450 5.819 ( -0.291 0.000 -1.207) 1.241 5.819 ( -0.291 0.000 1.207) 1.241 5.881 ( -1.068 0.000 -1.155) 1.573 5.881 ( -1.068 0.000 1.155) 1.573 6.220 ( 3.910 -0.000 -0.534) 3.947 6.220 ( 3.910 -0.000 0.534) 3.947 ======================= Grid point 526 (147/147) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 0.585 -5.987) 6.016 0.962 ( 0.000 0.585 5.987) 6.016 1.296 ( 0.000 1.124 -0.331) 1.171 1.296 ( 0.000 1.124 0.331) 1.171 1.297 ( -0.000 -1.951 -5.346) 5.690 1.297 ( -0.000 -1.951 5.346) 5.690 1.511 ( 0.000 5.219 -2.914) 5.977 1.511 ( 0.000 5.219 2.914) 5.977 1.634 ( -0.000 -4.614 -0.434) 4.635 1.634 ( -0.000 -4.614 0.434) 4.635 1.819 ( -0.000 -0.163 -5.089) 5.092 1.819 ( -0.000 -0.163 5.089) 5.092 2.025 ( 0.000 0.645 -0.325) 0.722 2.025 ( 0.000 0.645 0.325) 0.722 2.338 ( 0.000 2.566 -4.715) 5.368 2.338 ( 0.000 2.566 4.715) 5.368 2.629 ( -0.000 -1.167 -1.828) 2.169 2.629 ( -0.000 -1.167 1.828) 2.169 2.661 ( -0.000 -0.427 -0.263) 0.502 2.661 ( -0.000 -0.427 0.263) 0.502 2.848 ( -0.000 -0.949 -8.391) 8.444 2.848 ( -0.000 -0.949 8.391) 8.444 3.202 ( -0.000 -0.238 -3.360) 3.369 3.202 ( -0.000 -0.238 3.360) 3.369 3.551 ( 0.000 0.229 -0.144) 0.271 3.551 ( 0.000 0.229 0.144) 0.271 3.564 ( -0.000 -0.253 -4.366) 4.373 3.564 ( -0.000 -0.253 4.366) 4.373 4.142 ( 0.000 0.002 -0.205) 0.205 4.142 ( 0.000 0.002 0.205) 0.205 4.329 ( -0.000 -0.379 -1.613) 1.657 4.329 ( -0.000 -0.379 1.613) 1.657 4.730 ( 0.000 0.081 -5.626) 5.626 4.730 ( 0.000 0.081 5.626) 5.626 4.861 ( 0.000 0.545 -3.123) 3.170 4.861 ( 0.000 0.545 3.123) 3.170 5.075 ( 0.000 0.696 -6.961) 6.995 5.075 ( 0.000 0.696 6.961) 6.995 5.345 ( -0.000 -0.571 -0.736) 0.931 5.345 ( -0.000 -0.571 0.736) 0.931 5.673 ( -0.000 -1.322 -2.497) 2.826 5.673 ( -0.000 -1.322 2.497) 2.826 5.812 ( 0.000 0.070 -0.632) 0.636 5.812 ( 0.000 0.070 0.632) 0.636 5.873 ( -0.000 -0.020 -1.920) 1.920 5.873 ( -0.000 -0.020 1.920) 1.920 6.258 ( 0.000 0.532 -1.045) 1.173 6.258 ( 0.000 0.532 1.045) 1.173 =================== 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 10.0 321.675 506.521 204.509 0.000 0.000 0.000 3/32448 20.0 83.845 65.565 37.005 0.000 0.000 0.000 3/32448 30.0 39.844 25.168 16.698 0.000 0.000 0.000 3/32448 40.0 24.988 14.443 10.517 0.000 0.000 0.000 3/32448 50.0 17.905 9.928 7.618 0.000 0.000 0.000 3/32448 60.0 13.891 7.528 5.962 0.000 0.000 0.000 3/32448 70.0 11.351 6.063 4.902 0.000 0.000 0.000 3/32448 80.0 9.612 5.083 4.169 0.000 0.000 0.000 3/32448 90.0 8.350 4.383 3.633 0.000 0.000 0.000 3/32448 100.0 7.392 3.858 3.224 0.000 0.000 0.000 3/32448 110.0 6.638 3.449 2.902 0.000 0.000 0.000 3/32448 120.0 6.030 3.121 2.640 0.000 0.000 0.000 3/32448 130.0 5.528 2.853 2.423 0.000 0.000 0.000 3/32448 140.0 5.106 2.628 2.240 0.000 0.000 0.000 3/32448 150.0 4.746 2.438 2.084 0.000 0.000 0.000 3/32448 160.0 4.435 2.274 1.949 0.000 0.000 0.000 3/32448 170.0 4.163 2.131 1.831 0.000 0.000 0.000 3/32448 180.0 3.924 2.006 1.727 0.000 0.000 0.000 3/32448 190.0 3.711 1.895 1.634 0.000 0.000 0.000 3/32448 200.0 3.521 1.796 1.551 0.000 0.000 0.000 3/32448 210.0 3.349 1.706 1.476 0.000 0.000 0.000 3/32448 220.0 3.194 1.626 1.408 0.000 0.000 0.000 3/32448 230.0 3.053 1.553 1.347 0.000 0.000 0.000 3/32448 240.0 2.924 1.486 1.290 0.000 0.000 0.000 3/32448 250.0 2.806 1.425 1.238 0.000 0.000 0.000 3/32448 260.0 2.697 1.369 1.190 0.000 0.000 0.000 3/32448 270.0 2.596 1.317 1.146 0.000 0.000 0.000 3/32448 280.0 2.503 1.269 1.105 0.000 0.000 0.000 3/32448 290.0 2.416 1.225 1.067 0.000 0.000 0.000 3/32448 300.0 2.335 1.183 1.032 0.000 0.000 0.000 3/32448 310.0 2.259 1.144 0.998 0.000 0.000 0.000 3/32448 320.0 2.188 1.108 0.967 0.000 0.000 0.000 3/32448 330.0 2.122 1.074 0.938 0.000 0.000 0.000 3/32448 340.0 2.059 1.042 0.911 0.000 0.000 0.000 3/32448 350.0 2.000 1.012 0.885 0.000 0.000 0.000 3/32448 360.0 1.945 0.984 0.860 0.000 0.000 0.000 3/32448 370.0 1.892 0.957 0.837 0.000 0.000 0.000 3/32448 380.0 1.843 0.931 0.815 0.000 0.000 0.000 3/32448 390.0 1.795 0.907 0.794 0.000 0.000 0.000 3/32448 400.0 1.750 0.884 0.775 0.000 0.000 0.000 3/32448 410.0 1.708 0.863 0.756 0.000 0.000 0.000 3/32448 420.0 1.667 0.842 0.738 0.000 0.000 0.000 3/32448 430.0 1.629 0.822 0.721 0.000 0.000 0.000 3/32448 440.0 1.592 0.804 0.705 0.000 0.000 0.000 3/32448 450.0 1.556 0.786 0.689 0.000 0.000 0.000 3/32448 460.0 1.523 0.768 0.674 0.000 0.000 0.000 3/32448 470.0 1.490 0.752 0.660 0.000 0.000 0.000 3/32448 480.0 1.459 0.736 0.646 0.000 0.000 0.000 3/32448 490.0 1.430 0.721 0.633 0.000 0.000 0.000 3/32448 500.0 1.401 0.707 0.621 0.000 0.000 0.000 3/32448 510.0 1.374 0.693 0.608 0.000 0.000 0.000 3/32448 520.0 1.347 0.680 0.597 0.000 0.000 0.000 3/32448 530.0 1.322 0.667 0.586 0.000 0.000 0.000 3/32448 540.0 1.298 0.654 0.575 0.000 0.000 0.000 3/32448 550.0 1.274 0.642 0.565 0.000 0.000 0.000 3/32448 560.0 1.251 0.631 0.555 0.000 0.000 0.000 3/32448 570.0 1.230 0.620 0.545 0.000 0.000 0.000 3/32448 580.0 1.208 0.609 0.536 0.000 0.000 0.000 3/32448 590.0 1.188 0.599 0.527 0.000 0.000 0.000 3/32448 600.0 1.168 0.589 0.518 0.000 0.000 0.000 3/32448 610.0 1.149 0.579 0.509 0.000 0.000 0.000 3/32448 620.0 1.131 0.570 0.501 0.000 0.000 0.000 3/32448 630.0 1.113 0.561 0.493 0.000 0.000 0.000 3/32448 640.0 1.096 0.552 0.486 0.000 0.000 0.000 3/32448 650.0 1.079 0.543 0.478 0.000 0.000 0.000 3/32448 660.0 1.063 0.535 0.471 0.000 0.000 0.000 3/32448 670.0 1.047 0.527 0.464 0.000 0.000 0.000 3/32448 680.0 1.031 0.519 0.457 0.000 0.000 0.000 3/32448 690.0 1.017 0.512 0.451 0.000 0.000 0.000 3/32448 700.0 1.002 0.505 0.444 0.000 0.000 0.000 3/32448 710.0 0.988 0.497 0.438 0.000 0.000 0.000 3/32448 720.0 0.974 0.491 0.432 0.000 0.000 0.000 3/32448 730.0 0.961 0.484 0.426 0.000 0.000 0.000 3/32448 740.0 0.948 0.477 0.420 0.000 0.000 0.000 3/32448 750.0 0.936 0.471 0.415 0.000 0.000 0.000 3/32448 760.0 0.923 0.465 0.409 0.000 0.000 0.000 3/32448 770.0 0.911 0.459 0.404 0.000 0.000 0.000 3/32448 780.0 0.900 0.453 0.399 0.000 0.000 0.000 3/32448 790.0 0.888 0.447 0.394 0.000 0.000 0.000 3/32448 800.0 0.877 0.442 0.389 0.000 0.000 0.000 3/32448 810.0 0.866 0.436 0.384 0.000 0.000 0.000 3/32448 820.0 0.856 0.431 0.380 0.000 0.000 0.000 3/32448 830.0 0.846 0.426 0.375 0.000 0.000 0.000 3/32448 840.0 0.836 0.421 0.371 0.000 0.000 0.000 3/32448 850.0 0.826 0.416 0.366 0.000 0.000 0.000 3/32448 860.0 0.816 0.411 0.362 0.000 0.000 0.000 3/32448 870.0 0.807 0.406 0.358 0.000 0.000 0.000 3/32448 880.0 0.798 0.401 0.354 0.000 0.000 0.000 3/32448 890.0 0.789 0.397 0.350 0.000 0.000 0.000 3/32448 900.0 0.780 0.392 0.346 0.000 0.000 0.000 3/32448 910.0 0.772 0.388 0.342 0.000 0.000 0.000 3/32448 920.0 0.763 0.384 0.339 0.000 0.000 0.000 3/32448 930.0 0.755 0.380 0.335 0.000 0.000 0.000 3/32448 940.0 0.747 0.376 0.331 0.000 0.000 0.000 3/32448 950.0 0.739 0.372 0.328 0.000 0.000 0.000 3/32448 960.0 0.732 0.368 0.325 0.000 0.000 0.000 3/32448 970.0 0.724 0.364 0.321 0.000 0.000 0.000 3/32448 980.0 0.717 0.360 0.318 0.000 0.000 0.000 3/32448 990.0 0.710 0.357 0.315 0.000 0.000 0.000 3/32448 1000.0 0.702 0.353 0.312 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 01:51:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|