----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:46:33]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032027825000000 -7.902263725000002 0.000000000000000 b 2.032027825000000 7.902263725000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.692096440000000 Atomic positions (fractional): *1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 2 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 *3 Cs 0.25595210071032 0.74404789928968 0.75000000000000 132.905 4 Cs 0.74404789928968 0.25595210071032 0.25000000000000 132.905 *5 Se 0.61723071026425 0.38276928973575 0.94360171551047 78.960 6 Se 0.38276928973575 0.61723071026425 0.05639828448953 78.960 7 Se 0.38276928973575 0.61723071026425 0.44360171551047 78.960 8 Se 0.61723071026425 0.38276928973575 0.55639828448953 78.960 *9 Se 0.94293542804592 0.05706457195408 0.75000000000000 78.960 10 Se 0.05706457195408 0.94293542804592 0.25000000000000 78.960 *11 Zn 0.53760833873288 0.46239166126712 0.75000000000000 65.380 12 Zn 0.46239166126712 0.53760833873288 0.25000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.064055650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.804527450000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.692096440000000 Atomic positions (fractional): *1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 1 2 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 2 3 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 1 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 2 *5 Cs 0.50000000000000 0.24404789928968 0.75000000000000 132.905 > 3 6 Cs 0.00000000000000 0.25595210071032 0.25000000000000 132.905 > 4 7 Cs 0.00000000000000 0.74404789928968 0.75000000000000 132.905 > 3 8 Cs 0.50000000000000 0.75595210071032 0.25000000000000 132.905 > 4 *9 Se 0.00000000000000 0.38276928973575 0.94360171551047 78.960 > 5 10 Se 0.50000000000000 0.11723071026425 0.05639828448953 78.960 > 6 11 Se 0.50000000000000 0.11723071026425 0.44360171551047 78.960 > 7 12 Se 0.00000000000000 0.38276928973575 0.55639828448953 78.960 > 8 *13 Se 0.00000000000000 0.05706457195408 0.75000000000000 78.960 > 9 14 Se 0.50000000000000 0.44293542804592 0.25000000000000 78.960 > 10 15 Se 0.50000000000000 0.88276928973575 0.94360171551047 78.960 > 5 16 Se 0.00000000000000 0.61723071026425 0.05639828448953 78.960 > 6 17 Se 0.00000000000000 0.61723071026425 0.44360171551047 78.960 > 7 18 Se 0.50000000000000 0.88276928973575 0.55639828448953 78.960 > 8 19 Se 0.50000000000000 0.55706457195408 0.75000000000000 78.960 > 9 20 Se 0.00000000000000 0.94293542804592 0.25000000000000 78.960 > 10 *21 Zn 0.00000000000000 0.46239166126712 0.75000000000000 65.380 > 11 22 Zn 0.50000000000000 0.03760833873288 0.25000000000000 65.380 > 12 23 Zn 0.50000000000000 0.96239166126712 0.75000000000000 65.380 > 11 24 Zn 0.00000000000000 0.53760833873288 0.25000000000000 65.380 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.192166950000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.804527450000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.384192880000001 Atomic positions (fractional): *1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 1 2 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 1 3 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 1 4 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 1 5 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 1 6 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 1 7 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 2 8 Tm 0.33333333333333 0.00000000000000 0.25000000000000 168.934 > 2 9 Tm 0.66666666666667 0.00000000000000 0.25000000000000 168.934 > 2 10 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 2 11 Tm 0.33333333333333 0.00000000000000 0.75000000000000 168.934 > 2 12 Tm 0.66666666666667 0.00000000000000 0.75000000000000 168.934 > 2 13 Tm 0.16666666666667 0.50000000000000 0.00000000000000 168.934 > 1 14 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 1 15 Tm 0.83333333333333 0.50000000000000 0.00000000000000 168.934 > 1 16 Tm 0.16666666666667 0.50000000000000 0.50000000000000 168.934 > 1 17 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 1 18 Tm 0.83333333333333 0.50000000000000 0.50000000000000 168.934 > 1 19 Tm 0.16666666666667 0.50000000000000 0.25000000000000 168.934 > 2 20 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 2 21 Tm 0.83333333333333 0.50000000000000 0.25000000000000 168.934 > 2 22 Tm 0.16666666666667 0.50000000000000 0.75000000000000 168.934 > 2 23 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 2 24 Tm 0.83333333333333 0.50000000000000 0.75000000000000 168.934 > 2 *25 Cs 0.16666666666667 0.24404789928968 0.37500000000000 132.905 > 3 26 Cs 0.50000000000000 0.24404789928968 0.37500000000000 132.905 > 3 27 Cs 0.83333333333333 0.24404789928968 0.37500000000000 132.905 > 3 28 Cs 0.16666666666667 0.24404789928968 0.87500000000000 132.905 > 3 29 Cs 0.50000000000000 0.24404789928968 0.87500000000000 132.905 > 3 30 Cs 0.83333333333333 0.24404789928968 0.87500000000000 132.905 > 3 31 Cs 0.00000000000000 0.25595210071032 0.12500000000000 132.905 > 4 32 Cs 0.33333333333333 0.25595210071032 0.12500000000000 132.905 > 4 33 Cs 0.66666666666667 0.25595210071032 0.12500000000000 132.905 > 4 34 Cs 0.00000000000000 0.25595210071032 0.62500000000000 132.905 > 4 35 Cs 0.33333333333333 0.25595210071032 0.62500000000000 132.905 > 4 36 Cs 0.66666666666667 0.25595210071032 0.62500000000000 132.905 > 4 37 Cs 0.00000000000000 0.74404789928968 0.37500000000000 132.905 > 3 38 Cs 0.33333333333333 0.74404789928968 0.37500000000000 132.905 > 3 39 Cs 0.66666666666667 0.74404789928968 0.37500000000000 132.905 > 3 40 Cs 0.00000000000000 0.74404789928968 0.87500000000000 132.905 > 3 41 Cs 0.33333333333333 0.74404789928968 0.87500000000000 132.905 > 3 42 Cs 0.66666666666667 0.74404789928968 0.87500000000000 132.905 > 3 43 Cs 0.16666666666667 0.75595210071032 0.12500000000000 132.905 > 4 44 Cs 0.50000000000000 0.75595210071032 0.12500000000000 132.905 > 4 45 Cs 0.83333333333333 0.75595210071032 0.12500000000000 132.905 > 4 46 Cs 0.16666666666667 0.75595210071032 0.62500000000000 132.905 > 4 47 Cs 0.50000000000000 0.75595210071032 0.62500000000000 132.905 > 4 48 Cs 0.83333333333333 0.75595210071032 0.62500000000000 132.905 > 4 *49 Se 0.00000000000000 0.38276928973575 0.47180085775524 78.960 > 5 50 Se 0.33333333333333 0.38276928973575 0.47180085775524 78.960 > 5 51 Se 0.66666666666667 0.38276928973575 0.47180085775524 78.960 > 5 52 Se 0.00000000000000 0.38276928973575 0.97180085775524 78.960 > 5 53 Se 0.33333333333333 0.38276928973575 0.97180085775524 78.960 > 5 54 Se 0.66666666666667 0.38276928973575 0.97180085775524 78.960 > 5 55 Se 0.16666666666667 0.11723071026425 0.02819914224476 78.960 > 6 56 Se 0.50000000000000 0.11723071026425 0.02819914224476 78.960 > 6 57 Se 0.83333333333333 0.11723071026425 0.02819914224476 78.960 > 6 58 Se 0.16666666666667 0.11723071026425 0.52819914224477 78.960 > 6 59 Se 0.50000000000000 0.11723071026425 0.52819914224477 78.960 > 6 60 Se 0.83333333333333 0.11723071026425 0.52819914224477 78.960 > 6 61 Se 0.16666666666667 0.11723071026425 0.22180085775524 78.960 > 7 62 Se 0.50000000000000 0.11723071026425 0.22180085775524 78.960 > 7 63 Se 0.83333333333333 0.11723071026425 0.22180085775524 78.960 > 7 64 Se 0.16666666666667 0.11723071026425 0.72180085775524 78.960 > 7 65 Se 0.50000000000000 0.11723071026425 0.72180085775524 78.960 > 7 66 Se 0.83333333333333 0.11723071026425 0.72180085775524 78.960 > 7 67 Se 0.00000000000000 0.38276928973575 0.27819914224476 78.960 > 8 68 Se 0.33333333333333 0.38276928973575 0.27819914224476 78.960 > 8 69 Se 0.66666666666667 0.38276928973575 0.27819914224476 78.960 > 8 70 Se 0.00000000000000 0.38276928973575 0.77819914224476 78.960 > 8 71 Se 0.33333333333333 0.38276928973575 0.77819914224476 78.960 > 8 72 Se 0.66666666666667 0.38276928973575 0.77819914224476 78.960 > 8 *73 Se 0.00000000000000 0.05706457195408 0.37500000000000 78.960 > 9 74 Se 0.33333333333333 0.05706457195408 0.37500000000000 78.960 > 9 75 Se 0.66666666666667 0.05706457195408 0.37500000000000 78.960 > 9 76 Se 0.00000000000000 0.05706457195408 0.87500000000000 78.960 > 9 77 Se 0.33333333333333 0.05706457195408 0.87500000000000 78.960 > 9 78 Se 0.66666666666667 0.05706457195408 0.87500000000000 78.960 > 9 79 Se 0.16666666666667 0.44293542804592 0.12500000000000 78.960 > 10 80 Se 0.50000000000000 0.44293542804592 0.12500000000000 78.960 > 10 81 Se 0.83333333333333 0.44293542804592 0.12500000000000 78.960 > 10 82 Se 0.16666666666667 0.44293542804592 0.62500000000000 78.960 > 10 83 Se 0.50000000000000 0.44293542804592 0.62500000000000 78.960 > 10 84 Se 0.83333333333333 0.44293542804592 0.62500000000000 78.960 > 10 85 Se 0.16666666666667 0.88276928973575 0.47180085775524 78.960 > 5 86 Se 0.50000000000000 0.88276928973575 0.47180085775524 78.960 > 5 87 Se 0.83333333333333 0.88276928973575 0.47180085775524 78.960 > 5 88 Se 0.16666666666667 0.88276928973575 0.97180085775524 78.960 > 5 89 Se 0.50000000000000 0.88276928973575 0.97180085775524 78.960 > 5 90 Se 0.83333333333333 0.88276928973575 0.97180085775524 78.960 > 5 91 Se 0.00000000000000 0.61723071026425 0.02819914224476 78.960 > 6 92 Se 0.33333333333333 0.61723071026425 0.02819914224476 78.960 > 6 93 Se 0.66666666666667 0.61723071026425 0.02819914224476 78.960 > 6 94 Se 0.00000000000000 0.61723071026425 0.52819914224477 78.960 > 6 95 Se 0.33333333333333 0.61723071026425 0.52819914224477 78.960 > 6 96 Se 0.66666666666667 0.61723071026425 0.52819914224477 78.960 > 6 97 Se 0.00000000000000 0.61723071026425 0.22180085775524 78.960 > 7 98 Se 0.33333333333333 0.61723071026425 0.22180085775524 78.960 > 7 99 Se 0.66666666666667 0.61723071026425 0.22180085775524 78.960 > 7 100 Se 0.00000000000000 0.61723071026425 0.72180085775524 78.960 > 7 101 Se 0.33333333333333 0.61723071026425 0.72180085775524 78.960 > 7 102 Se 0.66666666666667 0.61723071026425 0.72180085775524 78.960 > 7 103 Se 0.16666666666667 0.88276928973575 0.27819914224476 78.960 > 8 104 Se 0.50000000000000 0.88276928973575 0.27819914224476 78.960 > 8 105 Se 0.83333333333333 0.88276928973575 0.27819914224476 78.960 > 8 106 Se 0.16666666666667 0.88276928973575 0.77819914224476 78.960 > 8 107 Se 0.50000000000000 0.88276928973575 0.77819914224476 78.960 > 8 108 Se 0.83333333333333 0.88276928973575 0.77819914224476 78.960 > 8 109 Se 0.16666666666667 0.55706457195408 0.37500000000000 78.960 > 9 110 Se 0.50000000000000 0.55706457195408 0.37500000000000 78.960 > 9 111 Se 0.83333333333333 0.55706457195408 0.37500000000000 78.960 > 9 112 Se 0.16666666666667 0.55706457195408 0.87500000000000 78.960 > 9 113 Se 0.50000000000000 0.55706457195408 0.87500000000000 78.960 > 9 114 Se 0.83333333333333 0.55706457195408 0.87500000000000 78.960 > 9 115 Se 0.00000000000000 0.94293542804592 0.12500000000000 78.960 > 10 116 Se 0.33333333333333 0.94293542804592 0.12500000000000 78.960 > 10 117 Se 0.66666666666667 0.94293542804592 0.12500000000000 78.960 > 10 118 Se 0.00000000000000 0.94293542804592 0.62500000000000 78.960 > 10 119 Se 0.33333333333333 0.94293542804592 0.62500000000000 78.960 > 10 120 Se 0.66666666666667 0.94293542804592 0.62500000000000 78.960 > 10 *121 Zn 0.00000000000000 0.46239166126712 0.37500000000000 65.380 > 11 122 Zn 0.33333333333333 0.46239166126712 0.37500000000000 65.380 > 11 123 Zn 0.66666666666667 0.46239166126712 0.37500000000000 65.380 > 11 124 Zn 0.00000000000000 0.46239166126712 0.87500000000000 65.380 > 11 125 Zn 0.33333333333333 0.46239166126712 0.87500000000000 65.380 > 11 126 Zn 0.66666666666667 0.46239166126712 0.87500000000000 65.380 > 11 127 Zn 0.16666666666667 0.03760833873288 0.12500000000000 65.380 > 12 128 Zn 0.50000000000000 0.03760833873288 0.12500000000000 65.380 > 12 129 Zn 0.83333333333333 0.03760833873288 0.12500000000000 65.380 > 12 130 Zn 0.16666666666667 0.03760833873288 0.62500000000000 65.380 > 12 131 Zn 0.50000000000000 0.03760833873288 0.62500000000000 65.380 > 12 132 Zn 0.83333333333333 0.03760833873288 0.62500000000000 65.380 > 12 133 Zn 0.16666666666667 0.96239166126712 0.37500000000000 65.380 > 11 134 Zn 0.50000000000000 0.96239166126712 0.37500000000000 65.380 > 11 135 Zn 0.83333333333333 0.96239166126712 0.37500000000000 65.380 > 11 136 Zn 0.16666666666667 0.96239166126712 0.87500000000000 65.380 > 11 137 Zn 0.50000000000000 0.96239166126712 0.87500000000000 65.380 > 11 138 Zn 0.83333333333333 0.96239166126712 0.87500000000000 65.380 > 11 139 Zn 0.00000000000000 0.53760833873288 0.12500000000000 65.380 > 12 140 Zn 0.33333333333333 0.53760833873288 0.12500000000000 65.380 > 12 141 Zn 0.66666666666667 0.53760833873288 0.12500000000000 65.380 > 12 142 Zn 0.00000000000000 0.53760833873288 0.62500000000000 65.380 > 12 143 Zn 0.33333333333333 0.53760833873288 0.62500000000000 65.380 > 12 144 Zn 0.66666666666667 0.53760833873288 0.62500000000000 65.380 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8150360 0.0000000 0.0000000 0.0000000 4.6159380 0.0000000 0.0000000 0.0000000 6.4862882 -------------------------- Born effective charges -------------------------- 1 Tm 4.7527921 0.0000000 0.0000000 0.0000000 1.6438589 0.3453760 0.0000000 0.4750474 4.5452165 2 Tm 4.7527921 0.0000000 0.0000000 0.0000000 1.6438589 -0.3453760 0.0000000 -0.4750474 4.5452165 3 Cs 1.2093383 0.0000000 0.0000000 0.0000000 1.9959250 0.0000000 0.0000000 0.0000000 1.2943134 4 Cs 1.2093383 0.0000000 0.0000000 0.0000000 1.9959250 0.0000000 0.0000000 0.0000000 1.2943134 5 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 -0.0662902 0.0000000 -0.1477381 -2.1893036 6 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 -0.0662902 0.0000000 -0.1477381 -2.1893036 7 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 0.0662902 0.0000000 0.1477381 -2.1893036 8 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 0.0662902 0.0000000 0.1477381 -2.1893036 9 Se -2.2673395 0.0000000 0.0000000 0.0000000 -1.1437997 0.0000000 0.0000000 0.0000000 -3.3196789 10 Se -2.2673395 0.0000000 0.0000000 0.0000000 -1.1437997 0.0000000 0.0000000 0.0000000 -3.3196789 11 Zn 1.9531431 0.0000000 0.0000000 0.0000000 0.7636263 0.0000000 0.0000000 0.0000000 1.8587563 12 Zn 1.9531431 0.0000000 0.0000000 0.0000000 0.7636263 0.0000000 0.0000000 0.0000000 1.8587563 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 0.335 Solver_block: 200 / 240 - Time: 0.336 Solver_block: 240 / 240 - Time: 0.170 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.861 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), 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 09:46:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:50]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032027825000000 -7.902263725000002 0.000000000000000 b 2.032027825000000 7.902263725000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.692096440000000 Atomic positions (fractional): 1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 2 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 3 Cs 0.25595210071032 0.74404789928968 0.75000000000000 132.905 4 Cs 0.74404789928968 0.25595210071032 0.25000000000000 132.905 5 Se 0.61723071026425 0.38276928973575 0.94360171551047 78.960 6 Se 0.38276928973575 0.61723071026425 0.05639828448953 78.960 7 Se 0.38276928973575 0.61723071026425 0.44360171551047 78.960 8 Se 0.61723071026425 0.38276928973575 0.55639828448953 78.960 9 Se 0.94293542804592 0.05706457195408 0.75000000000000 78.960 10 Se 0.05706457195408 0.94293542804592 0.25000000000000 78.960 11 Zn 0.53760833873288 0.46239166126712 0.75000000000000 65.380 12 Zn 0.46239166126712 0.53760833873288 0.25000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.192166950000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.804527450000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.384192880000001 Atomic positions (fractional): 1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 1 2 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 1 3 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 1 4 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 1 5 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 1 6 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 1 7 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 7 8 Tm 0.33333333333333 0.00000000000000 0.25000000000000 168.934 > 7 9 Tm 0.66666666666667 0.00000000000000 0.25000000000000 168.934 > 7 10 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 7 11 Tm 0.33333333333333 0.00000000000000 0.75000000000000 168.934 > 7 12 Tm 0.66666666666667 0.00000000000000 0.75000000000000 168.934 > 7 13 Tm 0.16666666666667 0.50000000000000 0.00000000000000 168.934 > 1 14 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 1 15 Tm 0.83333333333333 0.50000000000000 0.00000000000000 168.934 > 1 16 Tm 0.16666666666667 0.50000000000000 0.50000000000000 168.934 > 1 17 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 1 18 Tm 0.83333333333333 0.50000000000000 0.50000000000000 168.934 > 1 19 Tm 0.16666666666667 0.50000000000000 0.25000000000000 168.934 > 7 20 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 7 21 Tm 0.83333333333333 0.50000000000000 0.25000000000000 168.934 > 7 22 Tm 0.16666666666667 0.50000000000000 0.75000000000000 168.934 > 7 23 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 7 24 Tm 0.83333333333333 0.50000000000000 0.75000000000000 168.934 > 7 25 Cs 0.16666666666667 0.24404789928968 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24404789928968 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24404789928968 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24404789928968 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24404789928968 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24404789928968 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25595210071032 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25595210071032 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25595210071032 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25595210071032 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25595210071032 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25595210071032 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74404789928968 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74404789928968 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74404789928968 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74404789928968 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74404789928968 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74404789928968 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75595210071032 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75595210071032 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75595210071032 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75595210071032 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75595210071032 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75595210071032 0.62500000000000 132.905 > 31 49 Se 0.00000000000000 0.38276928973575 0.47180085775524 78.960 > 49 50 Se 0.33333333333333 0.38276928973575 0.47180085775524 78.960 > 49 51 Se 0.66666666666667 0.38276928973575 0.47180085775524 78.960 > 49 52 Se 0.00000000000000 0.38276928973575 0.97180085775524 78.960 > 49 53 Se 0.33333333333333 0.38276928973575 0.97180085775524 78.960 > 49 54 Se 0.66666666666667 0.38276928973575 0.97180085775524 78.960 > 49 55 Se 0.16666666666667 0.11723071026425 0.02819914224476 78.960 > 55 56 Se 0.50000000000000 0.11723071026425 0.02819914224476 78.960 > 55 57 Se 0.83333333333333 0.11723071026425 0.02819914224476 78.960 > 55 58 Se 0.16666666666667 0.11723071026425 0.52819914224477 78.960 > 55 59 Se 0.50000000000000 0.11723071026425 0.52819914224477 78.960 > 55 60 Se 0.83333333333333 0.11723071026425 0.52819914224477 78.960 > 55 61 Se 0.16666666666667 0.11723071026425 0.22180085775524 78.960 > 61 62 Se 0.50000000000000 0.11723071026425 0.22180085775524 78.960 > 61 63 Se 0.83333333333333 0.11723071026425 0.22180085775524 78.960 > 61 64 Se 0.16666666666667 0.11723071026425 0.72180085775524 78.960 > 61 65 Se 0.50000000000000 0.11723071026425 0.72180085775524 78.960 > 61 66 Se 0.83333333333333 0.11723071026425 0.72180085775524 78.960 > 61 67 Se 0.00000000000000 0.38276928973575 0.27819914224476 78.960 > 67 68 Se 0.33333333333333 0.38276928973575 0.27819914224476 78.960 > 67 69 Se 0.66666666666667 0.38276928973575 0.27819914224476 78.960 > 67 70 Se 0.00000000000000 0.38276928973575 0.77819914224476 78.960 > 67 71 Se 0.33333333333333 0.38276928973575 0.77819914224476 78.960 > 67 72 Se 0.66666666666667 0.38276928973575 0.77819914224476 78.960 > 67 73 Se 0.00000000000000 0.05706457195408 0.37500000000000 78.960 > 73 74 Se 0.33333333333333 0.05706457195408 0.37500000000000 78.960 > 73 75 Se 0.66666666666667 0.05706457195408 0.37500000000000 78.960 > 73 76 Se 0.00000000000000 0.05706457195408 0.87500000000000 78.960 > 73 77 Se 0.33333333333333 0.05706457195408 0.87500000000000 78.960 > 73 78 Se 0.66666666666667 0.05706457195408 0.87500000000000 78.960 > 73 79 Se 0.16666666666667 0.44293542804592 0.12500000000000 78.960 > 79 80 Se 0.50000000000000 0.44293542804592 0.12500000000000 78.960 > 79 81 Se 0.83333333333333 0.44293542804592 0.12500000000000 78.960 > 79 82 Se 0.16666666666667 0.44293542804592 0.62500000000000 78.960 > 79 83 Se 0.50000000000000 0.44293542804592 0.62500000000000 78.960 > 79 84 Se 0.83333333333333 0.44293542804592 0.62500000000000 78.960 > 79 85 Se 0.16666666666667 0.88276928973575 0.47180085775524 78.960 > 49 86 Se 0.50000000000000 0.88276928973575 0.47180085775524 78.960 > 49 87 Se 0.83333333333333 0.88276928973575 0.47180085775524 78.960 > 49 88 Se 0.16666666666667 0.88276928973575 0.97180085775524 78.960 > 49 89 Se 0.50000000000000 0.88276928973575 0.97180085775524 78.960 > 49 90 Se 0.83333333333333 0.88276928973575 0.97180085775524 78.960 > 49 91 Se 0.00000000000000 0.61723071026425 0.02819914224476 78.960 > 55 92 Se 0.33333333333333 0.61723071026425 0.02819914224476 78.960 > 55 93 Se 0.66666666666667 0.61723071026425 0.02819914224476 78.960 > 55 94 Se 0.00000000000000 0.61723071026425 0.52819914224477 78.960 > 55 95 Se 0.33333333333333 0.61723071026425 0.52819914224477 78.960 > 55 96 Se 0.66666666666667 0.61723071026425 0.52819914224477 78.960 > 55 97 Se 0.00000000000000 0.61723071026425 0.22180085775524 78.960 > 61 98 Se 0.33333333333333 0.61723071026425 0.22180085775524 78.960 > 61 99 Se 0.66666666666667 0.61723071026425 0.22180085775524 78.960 > 61 100 Se 0.00000000000000 0.61723071026425 0.72180085775524 78.960 > 61 101 Se 0.33333333333333 0.61723071026425 0.72180085775524 78.960 > 61 102 Se 0.66666666666667 0.61723071026425 0.72180085775524 78.960 > 61 103 Se 0.16666666666667 0.88276928973575 0.27819914224476 78.960 > 67 104 Se 0.50000000000000 0.88276928973575 0.27819914224476 78.960 > 67 105 Se 0.83333333333333 0.88276928973575 0.27819914224476 78.960 > 67 106 Se 0.16666666666667 0.88276928973575 0.77819914224476 78.960 > 67 107 Se 0.50000000000000 0.88276928973575 0.77819914224476 78.960 > 67 108 Se 0.83333333333333 0.88276928973575 0.77819914224476 78.960 > 67 109 Se 0.16666666666667 0.55706457195408 0.37500000000000 78.960 > 73 110 Se 0.50000000000000 0.55706457195408 0.37500000000000 78.960 > 73 111 Se 0.83333333333333 0.55706457195408 0.37500000000000 78.960 > 73 112 Se 0.16666666666667 0.55706457195408 0.87500000000000 78.960 > 73 113 Se 0.50000000000000 0.55706457195408 0.87500000000000 78.960 > 73 114 Se 0.83333333333333 0.55706457195408 0.87500000000000 78.960 > 73 115 Se 0.00000000000000 0.94293542804592 0.12500000000000 78.960 > 79 116 Se 0.33333333333333 0.94293542804592 0.12500000000000 78.960 > 79 117 Se 0.66666666666667 0.94293542804592 0.12500000000000 78.960 > 79 118 Se 0.00000000000000 0.94293542804592 0.62500000000000 78.960 > 79 119 Se 0.33333333333333 0.94293542804592 0.62500000000000 78.960 > 79 120 Se 0.66666666666667 0.94293542804592 0.62500000000000 78.960 > 79 121 Zn 0.00000000000000 0.46239166126712 0.37500000000000 65.380 > 121 122 Zn 0.33333333333333 0.46239166126712 0.37500000000000 65.380 > 121 123 Zn 0.66666666666667 0.46239166126712 0.37500000000000 65.380 > 121 124 Zn 0.00000000000000 0.46239166126712 0.87500000000000 65.380 > 121 125 Zn 0.33333333333333 0.46239166126712 0.87500000000000 65.380 > 121 126 Zn 0.66666666666667 0.46239166126712 0.87500000000000 65.380 > 121 127 Zn 0.16666666666667 0.03760833873288 0.12500000000000 65.380 > 127 128 Zn 0.50000000000000 0.03760833873288 0.12500000000000 65.380 > 127 129 Zn 0.83333333333333 0.03760833873288 0.12500000000000 65.380 > 127 130 Zn 0.16666666666667 0.03760833873288 0.62500000000000 65.380 > 127 131 Zn 0.50000000000000 0.03760833873288 0.62500000000000 65.380 > 127 132 Zn 0.83333333333333 0.03760833873288 0.62500000000000 65.380 > 127 133 Zn 0.16666666666667 0.96239166126712 0.37500000000000 65.380 > 121 134 Zn 0.50000000000000 0.96239166126712 0.37500000000000 65.380 > 121 135 Zn 0.83333333333333 0.96239166126712 0.37500000000000 65.380 > 121 136 Zn 0.16666666666667 0.96239166126712 0.87500000000000 65.380 > 121 137 Zn 0.50000000000000 0.96239166126712 0.87500000000000 65.380 > 121 138 Zn 0.83333333333333 0.96239166126712 0.87500000000000 65.380 > 121 139 Zn 0.00000000000000 0.53760833873288 0.12500000000000 65.380 > 127 140 Zn 0.33333333333333 0.53760833873288 0.12500000000000 65.380 > 127 141 Zn 0.66666666666667 0.53760833873288 0.12500000000000 65.380 > 127 142 Zn 0.00000000000000 0.53760833873288 0.62500000000000 65.380 > 127 143 Zn 0.33333333333333 0.53760833873288 0.62500000000000 65.380 > 127 144 Zn 0.66666666666667 0.53760833873288 0.62500000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8150360 0.0000000 0.0000000 0.0000000 4.6159380 0.0000000 0.0000000 0.0000000 6.4862882 -------------------------- Born effective charges -------------------------- 1 Tm 4.7527921 0.0000000 0.0000000 0.0000000 1.6438589 0.3453760 0.0000000 0.4750474 4.5452165 2 Tm 4.7527921 0.0000000 0.0000000 0.0000000 1.6438589 -0.3453760 0.0000000 -0.4750474 4.5452165 3 Cs 1.2093383 0.0000000 0.0000000 0.0000000 1.9959250 0.0000000 0.0000000 0.0000000 1.2943134 4 Cs 1.2093383 0.0000000 0.0000000 0.0000000 1.9959250 0.0000000 0.0000000 0.0000000 1.2943134 5 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 -0.0662902 0.0000000 -0.1477381 -2.1893036 6 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 -0.0662902 0.0000000 -0.1477381 -2.1893036 7 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 0.0662902 0.0000000 0.1477381 -2.1893036 8 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 0.0662902 0.0000000 0.1477381 -2.1893036 9 Se -2.2673395 0.0000000 0.0000000 0.0000000 -1.1437997 0.0000000 0.0000000 0.0000000 -3.3196789 10 Se -2.2673395 0.0000000 0.0000000 0.0000000 -1.1437997 0.0000000 0.0000000 0.0000000 -3.3196789 11 Zn 1.9531431 0.0000000 0.0000000 0.0000000 0.7636263 0.0000000 0.0000000 0.0000000 1.8587563 12 Zn 1.9531431 0.0000000 0.0000000 0.0000000 0.7636263 0.0000000 0.0000000 0.0000000 1.8587563 ---------------------------------------------------------------------------- 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[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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[ 121, 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: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:47:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:47:12]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032027825000000 -7.902263725000002 0.000000000000000 b 2.032027825000000 7.902263725000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.692096440000000 Atomic positions (fractional): 1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 2 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 3 Cs 0.25595210071032 0.74404789928968 0.75000000000000 132.905 4 Cs 0.74404789928968 0.25595210071032 0.25000000000000 132.905 5 Se 0.61723071026425 0.38276928973575 0.94360171551047 78.960 6 Se 0.38276928973575 0.61723071026425 0.05639828448953 78.960 7 Se 0.38276928973575 0.61723071026425 0.44360171551047 78.960 8 Se 0.61723071026425 0.38276928973575 0.55639828448953 78.960 9 Se 0.94293542804592 0.05706457195408 0.75000000000000 78.960 10 Se 0.05706457195408 0.94293542804592 0.25000000000000 78.960 11 Zn 0.53760833873288 0.46239166126712 0.75000000000000 65.380 12 Zn 0.46239166126712 0.53760833873288 0.25000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.192166950000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.804527450000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.384192880000001 Atomic positions (fractional): 1 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 1 2 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 1 3 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 1 4 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 1 5 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 1 6 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 1 7 Tm 0.00000000000000 0.00000000000000 0.25000000000000 168.934 > 7 8 Tm 0.33333333333333 0.00000000000000 0.25000000000000 168.934 > 7 9 Tm 0.66666666666667 0.00000000000000 0.25000000000000 168.934 > 7 10 Tm 0.00000000000000 0.00000000000000 0.75000000000000 168.934 > 7 11 Tm 0.33333333333333 0.00000000000000 0.75000000000000 168.934 > 7 12 Tm 0.66666666666667 0.00000000000000 0.75000000000000 168.934 > 7 13 Tm 0.16666666666667 0.50000000000000 0.00000000000000 168.934 > 1 14 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 1 15 Tm 0.83333333333333 0.50000000000000 0.00000000000000 168.934 > 1 16 Tm 0.16666666666667 0.50000000000000 0.50000000000000 168.934 > 1 17 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 1 18 Tm 0.83333333333333 0.50000000000000 0.50000000000000 168.934 > 1 19 Tm 0.16666666666667 0.50000000000000 0.25000000000000 168.934 > 7 20 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 7 21 Tm 0.83333333333333 0.50000000000000 0.25000000000000 168.934 > 7 22 Tm 0.16666666666667 0.50000000000000 0.75000000000000 168.934 > 7 23 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 7 24 Tm 0.83333333333333 0.50000000000000 0.75000000000000 168.934 > 7 25 Cs 0.16666666666667 0.24404789928968 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24404789928968 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24404789928968 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24404789928968 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24404789928968 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24404789928968 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25595210071032 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25595210071032 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25595210071032 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25595210071032 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25595210071032 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25595210071032 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74404789928968 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74404789928968 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74404789928968 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74404789928968 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74404789928968 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74404789928968 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75595210071032 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75595210071032 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75595210071032 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75595210071032 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75595210071032 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75595210071032 0.62500000000000 132.905 > 31 49 Se 0.00000000000000 0.38276928973575 0.47180085775524 78.960 > 49 50 Se 0.33333333333333 0.38276928973575 0.47180085775524 78.960 > 49 51 Se 0.66666666666667 0.38276928973575 0.47180085775524 78.960 > 49 52 Se 0.00000000000000 0.38276928973575 0.97180085775524 78.960 > 49 53 Se 0.33333333333333 0.38276928973575 0.97180085775524 78.960 > 49 54 Se 0.66666666666667 0.38276928973575 0.97180085775524 78.960 > 49 55 Se 0.16666666666667 0.11723071026425 0.02819914224476 78.960 > 55 56 Se 0.50000000000000 0.11723071026425 0.02819914224476 78.960 > 55 57 Se 0.83333333333333 0.11723071026425 0.02819914224476 78.960 > 55 58 Se 0.16666666666667 0.11723071026425 0.52819914224477 78.960 > 55 59 Se 0.50000000000000 0.11723071026425 0.52819914224477 78.960 > 55 60 Se 0.83333333333333 0.11723071026425 0.52819914224477 78.960 > 55 61 Se 0.16666666666667 0.11723071026425 0.22180085775524 78.960 > 61 62 Se 0.50000000000000 0.11723071026425 0.22180085775524 78.960 > 61 63 Se 0.83333333333333 0.11723071026425 0.22180085775524 78.960 > 61 64 Se 0.16666666666667 0.11723071026425 0.72180085775524 78.960 > 61 65 Se 0.50000000000000 0.11723071026425 0.72180085775524 78.960 > 61 66 Se 0.83333333333333 0.11723071026425 0.72180085775524 78.960 > 61 67 Se 0.00000000000000 0.38276928973575 0.27819914224476 78.960 > 67 68 Se 0.33333333333333 0.38276928973575 0.27819914224476 78.960 > 67 69 Se 0.66666666666667 0.38276928973575 0.27819914224476 78.960 > 67 70 Se 0.00000000000000 0.38276928973575 0.77819914224476 78.960 > 67 71 Se 0.33333333333333 0.38276928973575 0.77819914224476 78.960 > 67 72 Se 0.66666666666667 0.38276928973575 0.77819914224476 78.960 > 67 73 Se 0.00000000000000 0.05706457195408 0.37500000000000 78.960 > 73 74 Se 0.33333333333333 0.05706457195408 0.37500000000000 78.960 > 73 75 Se 0.66666666666667 0.05706457195408 0.37500000000000 78.960 > 73 76 Se 0.00000000000000 0.05706457195408 0.87500000000000 78.960 > 73 77 Se 0.33333333333333 0.05706457195408 0.87500000000000 78.960 > 73 78 Se 0.66666666666667 0.05706457195408 0.87500000000000 78.960 > 73 79 Se 0.16666666666667 0.44293542804592 0.12500000000000 78.960 > 79 80 Se 0.50000000000000 0.44293542804592 0.12500000000000 78.960 > 79 81 Se 0.83333333333333 0.44293542804592 0.12500000000000 78.960 > 79 82 Se 0.16666666666667 0.44293542804592 0.62500000000000 78.960 > 79 83 Se 0.50000000000000 0.44293542804592 0.62500000000000 78.960 > 79 84 Se 0.83333333333333 0.44293542804592 0.62500000000000 78.960 > 79 85 Se 0.16666666666667 0.88276928973575 0.47180085775524 78.960 > 49 86 Se 0.50000000000000 0.88276928973575 0.47180085775524 78.960 > 49 87 Se 0.83333333333333 0.88276928973575 0.47180085775524 78.960 > 49 88 Se 0.16666666666667 0.88276928973575 0.97180085775524 78.960 > 49 89 Se 0.50000000000000 0.88276928973575 0.97180085775524 78.960 > 49 90 Se 0.83333333333333 0.88276928973575 0.97180085775524 78.960 > 49 91 Se 0.00000000000000 0.61723071026425 0.02819914224476 78.960 > 55 92 Se 0.33333333333333 0.61723071026425 0.02819914224476 78.960 > 55 93 Se 0.66666666666667 0.61723071026425 0.02819914224476 78.960 > 55 94 Se 0.00000000000000 0.61723071026425 0.52819914224477 78.960 > 55 95 Se 0.33333333333333 0.61723071026425 0.52819914224477 78.960 > 55 96 Se 0.66666666666667 0.61723071026425 0.52819914224477 78.960 > 55 97 Se 0.00000000000000 0.61723071026425 0.22180085775524 78.960 > 61 98 Se 0.33333333333333 0.61723071026425 0.22180085775524 78.960 > 61 99 Se 0.66666666666667 0.61723071026425 0.22180085775524 78.960 > 61 100 Se 0.00000000000000 0.61723071026425 0.72180085775524 78.960 > 61 101 Se 0.33333333333333 0.61723071026425 0.72180085775524 78.960 > 61 102 Se 0.66666666666667 0.61723071026425 0.72180085775524 78.960 > 61 103 Se 0.16666666666667 0.88276928973575 0.27819914224476 78.960 > 67 104 Se 0.50000000000000 0.88276928973575 0.27819914224476 78.960 > 67 105 Se 0.83333333333333 0.88276928973575 0.27819914224476 78.960 > 67 106 Se 0.16666666666667 0.88276928973575 0.77819914224476 78.960 > 67 107 Se 0.50000000000000 0.88276928973575 0.77819914224476 78.960 > 67 108 Se 0.83333333333333 0.88276928973575 0.77819914224476 78.960 > 67 109 Se 0.16666666666667 0.55706457195408 0.37500000000000 78.960 > 73 110 Se 0.50000000000000 0.55706457195408 0.37500000000000 78.960 > 73 111 Se 0.83333333333333 0.55706457195408 0.37500000000000 78.960 > 73 112 Se 0.16666666666667 0.55706457195408 0.87500000000000 78.960 > 73 113 Se 0.50000000000000 0.55706457195408 0.87500000000000 78.960 > 73 114 Se 0.83333333333333 0.55706457195408 0.87500000000000 78.960 > 73 115 Se 0.00000000000000 0.94293542804592 0.12500000000000 78.960 > 79 116 Se 0.33333333333333 0.94293542804592 0.12500000000000 78.960 > 79 117 Se 0.66666666666667 0.94293542804592 0.12500000000000 78.960 > 79 118 Se 0.00000000000000 0.94293542804592 0.62500000000000 78.960 > 79 119 Se 0.33333333333333 0.94293542804592 0.62500000000000 78.960 > 79 120 Se 0.66666666666667 0.94293542804592 0.62500000000000 78.960 > 79 121 Zn 0.00000000000000 0.46239166126712 0.37500000000000 65.380 > 121 122 Zn 0.33333333333333 0.46239166126712 0.37500000000000 65.380 > 121 123 Zn 0.66666666666667 0.46239166126712 0.37500000000000 65.380 > 121 124 Zn 0.00000000000000 0.46239166126712 0.87500000000000 65.380 > 121 125 Zn 0.33333333333333 0.46239166126712 0.87500000000000 65.380 > 121 126 Zn 0.66666666666667 0.46239166126712 0.87500000000000 65.380 > 121 127 Zn 0.16666666666667 0.03760833873288 0.12500000000000 65.380 > 127 128 Zn 0.50000000000000 0.03760833873288 0.12500000000000 65.380 > 127 129 Zn 0.83333333333333 0.03760833873288 0.12500000000000 65.380 > 127 130 Zn 0.16666666666667 0.03760833873288 0.62500000000000 65.380 > 127 131 Zn 0.50000000000000 0.03760833873288 0.62500000000000 65.380 > 127 132 Zn 0.83333333333333 0.03760833873288 0.62500000000000 65.380 > 127 133 Zn 0.16666666666667 0.96239166126712 0.37500000000000 65.380 > 121 134 Zn 0.50000000000000 0.96239166126712 0.37500000000000 65.380 > 121 135 Zn 0.83333333333333 0.96239166126712 0.37500000000000 65.380 > 121 136 Zn 0.16666666666667 0.96239166126712 0.87500000000000 65.380 > 121 137 Zn 0.50000000000000 0.96239166126712 0.87500000000000 65.380 > 121 138 Zn 0.83333333333333 0.96239166126712 0.87500000000000 65.380 > 121 139 Zn 0.00000000000000 0.53760833873288 0.12500000000000 65.380 > 127 140 Zn 0.33333333333333 0.53760833873288 0.12500000000000 65.380 > 127 141 Zn 0.66666666666667 0.53760833873288 0.12500000000000 65.380 > 127 142 Zn 0.00000000000000 0.53760833873288 0.62500000000000 65.380 > 127 143 Zn 0.33333333333333 0.53760833873288 0.62500000000000 65.380 > 127 144 Zn 0.66666666666667 0.53760833873288 0.62500000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8150360 0.0000000 0.0000000 0.0000000 4.6159380 0.0000000 0.0000000 0.0000000 6.4862882 -------------------------- Born effective charges -------------------------- 1 Tm 4.7527921 0.0000000 0.0000000 0.0000000 1.6438589 0.3453760 0.0000000 0.4750474 4.5452165 2 Tm 4.7527921 0.0000000 0.0000000 0.0000000 1.6438589 -0.3453760 0.0000000 -0.4750474 4.5452165 3 Cs 1.2093383 0.0000000 0.0000000 0.0000000 1.9959250 0.0000000 0.0000000 0.0000000 1.2943134 4 Cs 1.2093383 0.0000000 0.0000000 0.0000000 1.9959250 0.0000000 0.0000000 0.0000000 1.2943134 5 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 -0.0662902 0.0000000 -0.1477381 -2.1893036 6 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 -0.0662902 0.0000000 -0.1477381 -2.1893036 7 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 0.0662902 0.0000000 0.1477381 -2.1893036 8 Se -2.8239670 0.0000000 0.0000000 0.0000000 -1.6298053 0.0662902 0.0000000 0.1477381 -2.1893036 9 Se -2.2673395 0.0000000 0.0000000 0.0000000 -1.1437997 0.0000000 0.0000000 0.0000000 -3.3196789 10 Se -2.2673395 0.0000000 0.0000000 0.0000000 -1.1437997 0.0000000 0.0000000 0.0000000 -3.3196789 11 Zn 1.9531431 0.0000000 0.0000000 0.0000000 0.7636263 0.0000000 0.0000000 0.0000000 1.8587563 12 Zn 1.9531431 0.0000000 0.0000000 0.0000000 0.7636263 0.0000000 0.0000000 0.0000000 1.8587563 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) 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 5 ] 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: 0.59, Number of G-points: 307, Lambda: 0.15 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 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 0.958 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.968 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 16.917 -0.799 0.000) 16.935 0.373 ( 18.839 -1.258 0.000) 18.881 0.622 ( 30.501 -6.049 0.000) 31.095 0.999 ( 4.141 0.147 0.000) 4.143 1.333 ( -4.761 1.681 0.000) 5.049 1.382 ( 5.060 0.030 0.000) 5.060 1.486 ( 3.262 -0.551 0.000) 3.308 1.651 ( 12.230 0.939 0.000) 12.266 1.652 ( 4.519 0.904 0.000) 4.609 1.772 ( -0.726 -1.424 0.000) 1.599 2.114 ( -2.457 1.842 0.000) 3.071 2.184 ( -3.205 -1.263 0.000) 3.445 2.190 ( -2.054 -0.656 0.000) 2.156 2.398 ( 5.600 -0.854 0.000) 5.665 2.467 ( -0.418 -0.034 0.000) 0.419 2.490 ( 9.805 0.110 0.000) 9.806 2.734 ( -0.433 0.169 0.000) 0.465 3.218 ( -3.140 -0.272 0.000) 3.151 3.788 ( 3.477 -0.052 0.000) 3.478 3.800 ( 6.508 -0.042 0.000) 6.508 3.910 ( 6.264 -0.060 0.000) 6.264 4.340 ( 0.215 0.006 0.000) 0.215 4.364 ( -2.540 -0.058 0.000) 2.540 4.538 ( -0.928 2.644 0.000) 2.802 4.672 ( 3.212 2.724 0.000) 4.212 4.817 ( -3.729 -0.543 0.000) 3.768 4.885 ( -1.252 -0.054 0.000) 1.253 4.952 ( -1.277 -0.114 0.000) 1.282 5.090 ( 2.853 1.847 0.000) 3.399 5.107 ( -0.354 -0.923 0.000) 0.988 5.464 ( -1.173 0.078 0.000) 1.176 5.816 ( 1.261 17.825 0.000) 17.870 5.971 ( 1.054 3.874 0.000) 4.015 6.612 ( -7.151 -8.950 0.000) 11.456 6.947 ( -1.191 1.500 0.000) 1.915 6.971 ( -0.245 -1.418 0.000) 1.439 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 17.970 1.251 0.000) 18.014 0.711 ( 15.519 -1.555 0.000) 15.597 1.104 ( 7.012 0.522 0.000) 7.031 1.192 ( 25.813 -5.816 0.000) 26.460 1.249 ( -3.062 2.480 0.000) 3.941 1.502 ( 7.544 0.854 0.000) 7.592 1.585 ( 6.413 -1.105 0.000) 6.507 1.751 ( 6.493 3.589 0.000) 7.419 1.759 ( -0.524 -1.039 0.000) 1.164 1.900 ( 12.622 0.295 0.000) 12.625 2.053 ( -2.615 0.617 0.000) 2.687 2.127 ( -2.913 -0.644 0.000) 2.984 2.169 ( -0.077 0.326 0.000) 0.335 2.474 ( 1.956 -0.029 0.000) 1.956 2.524 ( 6.770 -0.983 0.000) 6.841 2.708 ( 12.591 0.245 0.000) 12.593 2.721 ( -0.791 0.253 0.000) 0.830 3.168 ( -1.777 -0.688 0.000) 1.906 3.872 ( 4.813 -0.148 0.000) 4.815 3.949 ( 8.196 -0.102 0.000) 8.197 4.056 ( 8.476 -0.422 0.000) 8.486 4.296 ( -4.501 -0.078 0.000) 4.502 4.352 ( 1.293 0.082 0.000) 1.295 4.500 ( -1.952 0.554 0.000) 2.029 4.679 ( -6.748 1.869 0.000) 7.002 4.746 ( 1.439 -0.048 0.000) 1.440 4.854 ( -1.856 -0.064 0.000) 1.858 4.923 ( -1.425 -0.108 0.000) 1.429 5.088 ( -0.547 -0.177 0.000) 0.575 5.183 ( 5.720 0.357 0.000) 5.731 5.435 ( -1.671 0.128 0.000) 1.676 5.730 ( -3.933 6.511 0.000) 7.607 5.967 ( 0.655 4.699 0.000) 4.745 6.483 ( -9.491 -3.977 0.000) 10.291 6.907 ( -2.508 0.168 0.000) 2.514 6.973 ( 0.176 0.008 0.000) 0.176 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 7.455 -0.973 0.000) 7.518 0.975 ( 17.484 3.523 0.000) 17.836 1.195 ( -1.541 1.375 0.000) 2.066 1.264 ( 10.243 0.531 0.000) 10.257 1.579 ( 11.257 -1.075 0.000) 11.308 1.661 ( 7.804 -0.724 0.000) 7.838 1.721 ( 7.528 -2.600 0.000) 7.965 1.761 ( 0.523 -0.723 0.000) 0.893 1.819 ( 2.414 10.070 0.000) 10.355 2.046 ( 1.163 -2.201 0.000) 2.489 2.075 ( 4.847 0.055 0.000) 4.847 2.138 ( 6.872 -3.385 0.000) 7.660 2.184 ( 1.681 -1.204 0.000) 2.068 2.582 ( 10.072 0.242 0.000) 10.075 2.649 ( 5.693 -1.088 0.000) 5.795 2.702 ( -1.201 0.212 0.000) 1.220 2.932 ( 10.350 0.143 0.000) 10.351 3.164 ( 0.727 -1.000 0.000) 1.236 3.945 ( 1.888 -0.213 0.000) 1.900 4.081 ( 5.241 -0.134 0.000) 5.243 4.212 ( 7.112 -0.585 0.000) 7.136 4.213 ( -3.381 -0.038 0.000) 3.381 4.395 ( 3.240 0.222 0.000) 3.248 4.470 ( -2.125 0.538 0.000) 2.192 4.494 ( -9.087 -0.569 0.000) 9.105 4.790 ( 2.397 1.231 0.000) 2.694 4.820 ( -1.677 -0.049 0.000) 1.678 4.907 ( -0.093 0.198 0.000) 0.219 5.086 ( 0.195 0.051 0.000) 0.202 5.287 ( 5.126 0.338 0.000) 5.137 5.405 ( -1.358 0.119 0.000) 1.363 5.612 ( -5.919 3.025 0.000) 6.647 5.949 ( -0.168 4.394 0.000) 4.397 6.303 ( -10.838 -2.276 0.000) 11.074 6.855 ( -2.936 -0.462 0.000) 2.973 6.977 ( 0.389 0.725 0.000) 0.822 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.258 0.499 0.000) 1.353 1.169 ( -1.537 -0.640 0.000) 1.665 1.259 ( 14.242 5.591 0.000) 15.300 1.463 ( 9.695 -0.038 0.000) 9.695 1.676 ( 0.734 2.524 0.000) 2.628 1.720 ( -4.172 7.952 0.000) 8.980 1.784 ( 7.470 1.517 0.000) 7.622 1.792 ( 2.764 0.033 0.000) 2.764 1.912 ( 6.779 -5.719 0.000) 8.869 2.089 ( 2.720 -2.064 0.000) 3.414 2.104 ( -0.696 -0.437 0.000) 0.822 2.199 ( 0.069 -2.785 0.000) 2.786 2.444 ( 17.781 -2.983 0.000) 18.030 2.673 ( -1.768 0.103 0.000) 1.771 2.747 ( 4.207 -0.945 0.000) 4.311 2.815 ( 13.015 0.440 0.000) 13.023 3.077 ( 4.557 -0.390 0.000) 4.574 3.186 ( 0.541 -0.749 0.000) 0.924 3.922 ( -3.878 -0.140 0.000) 3.881 4.158 ( 3.446 0.011 0.000) 3.446 4.196 ( 1.146 0.059 0.000) 1.147 4.252 ( -7.699 -0.874 0.000) 7.749 4.356 ( 2.014 0.463 0.000) 2.067 4.456 ( 2.737 0.191 0.000) 2.743 4.506 ( 3.609 0.056 0.000) 3.610 4.794 ( -1.046 -0.061 0.000) 1.048 4.830 ( 2.726 0.644 0.000) 2.801 4.925 ( 2.293 0.371 0.000) 2.322 5.079 ( -1.219 0.437 0.000) 1.295 5.370 ( 3.895 0.280 0.000) 3.905 5.384 ( -0.729 0.051 0.000) 0.730 5.485 ( -6.151 1.289 0.000) 6.285 5.919 ( -0.934 3.555 0.000) 3.676 6.105 ( -10.846 -1.407 0.000) 10.937 6.805 ( -2.569 -0.605 0.000) 2.639 6.980 ( 0.329 0.896 0.000) 0.954 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.132 0.277 0.000) 0.307 1.132 ( -2.629 -0.786 0.000) 2.744 1.417 ( 3.762 6.585 0.000) 7.584 1.600 ( 4.644 0.055 0.000) 4.644 1.627 ( 0.388 4.212 0.000) 4.230 1.662 ( -0.401 2.664 0.000) 2.694 1.866 ( 4.672 0.070 0.000) 4.672 1.904 ( 5.166 1.523 0.000) 5.386 2.032 ( 2.916 -3.473 0.000) 4.535 2.082 ( -1.440 -0.533 0.000) 1.536 2.158 ( 2.845 -2.304 0.000) 3.661 2.223 ( 1.615 -4.205 0.000) 4.505 2.636 ( -2.005 0.022 0.000) 2.005 2.758 ( 13.414 -0.567 0.000) 13.426 2.817 ( 2.795 -0.616 0.000) 2.862 3.027 ( 9.008 0.350 0.000) 9.015 3.109 ( -1.166 -1.165 0.000) 1.648 3.183 ( -0.938 -0.304 0.000) 0.986 3.842 ( -3.794 -0.013 0.000) 3.794 4.105 ( -6.416 -0.722 0.000) 6.457 4.224 ( 1.554 0.135 0.000) 1.560 4.230 ( 4.293 0.164 0.000) 4.296 4.403 ( 1.941 0.802 0.000) 2.100 4.481 ( -0.275 0.045 0.000) 0.278 4.604 ( 6.349 0.088 0.000) 6.350 4.781 ( -0.411 -0.080 0.000) 0.419 4.892 ( 3.657 0.155 0.000) 3.660 4.983 ( 3.474 0.293 0.000) 3.487 5.032 ( -3.046 0.433 0.000) 3.077 5.368 ( -5.737 0.435 0.000) 5.753 5.375 ( -0.307 -0.016 0.000) 0.308 5.444 ( 4.401 0.212 0.000) 4.406 5.872 ( -4.510 1.285 0.000) 4.690 5.922 ( -6.924 0.179 0.000) 6.926 6.766 ( -1.700 -0.465 0.000) 1.762 6.981 ( 0.148 0.693 0.000) 0.708 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.280 -0.185 0.000) 0.336 1.089 ( -1.650 -0.091 0.000) 1.652 1.382 ( -1.687 2.715 0.000) 3.196 1.646 ( -0.239 0.235 0.000) 0.335 1.650 ( 1.108 0.114 0.000) 1.114 1.672 ( 2.917 2.449 0.000) 3.809 1.940 ( 2.355 -0.049 0.000) 2.356 1.960 ( 1.523 0.609 0.000) 1.641 2.049 ( -0.930 -0.923 0.000) 1.310 2.063 ( -0.604 -0.236 0.000) 0.648 2.227 ( 2.561 -1.652 0.000) 3.048 2.278 ( 1.483 -1.632 0.000) 2.205 2.605 ( -0.980 0.002 0.000) 0.980 2.854 ( 0.964 -0.177 0.000) 0.981 2.941 ( 5.487 1.113 0.000) 5.598 3.076 ( -1.943 -1.408 0.000) 2.399 3.140 ( 2.999 0.129 0.000) 3.002 3.162 ( -1.132 -0.208 0.000) 1.151 3.792 ( -1.350 0.017 0.000) 1.350 4.028 ( -2.052 -0.311 0.000) 2.075 4.241 ( 0.449 0.066 0.000) 0.454 4.316 ( 4.004 0.170 0.000) 4.008 4.422 ( 0.510 0.405 0.000) 0.651 4.450 ( -2.363 -0.070 0.000) 2.365 4.724 ( 5.313 0.119 0.000) 5.315 4.777 ( -0.076 -0.041 0.000) 0.086 4.903 ( -3.049 -0.123 0.000) 3.052 5.019 ( 2.457 0.230 0.000) 2.468 5.036 ( 1.532 0.085 0.000) 1.534 5.269 ( -3.828 0.083 0.000) 3.829 5.372 ( -0.092 -0.019 0.000) 0.094 5.549 ( 6.819 0.292 0.000) 6.825 5.713 ( -8.950 -0.456 0.000) 8.962 5.873 ( -0.599 0.772 0.000) 0.977 6.746 ( -0.589 -0.172 0.000) 0.614 6.980 ( 0.029 0.258 0.000) 0.259 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 18.502 -0.000 0.000) 18.502 0.703 ( 15.667 -0.000 0.000) 15.667 1.107 ( 7.053 -0.000 0.000) 7.053 1.162 ( 26.586 -0.000 0.000) 26.586 1.262 ( -3.371 0.000 0.000) 3.371 1.507 ( 7.539 -0.000 0.000) 7.539 1.579 ( 6.547 -0.000 0.000) 6.547 1.754 ( -0.562 0.000 0.000) 0.562 1.770 ( 7.694 -0.000 0.000) 7.694 1.902 ( 12.730 -0.000 0.000) 12.730 2.054 ( -4.446 0.000 0.000) 4.446 2.125 ( -2.238 0.000 0.000) 2.238 2.171 ( -0.270 0.000 0.000) 0.270 2.474 ( 1.984 -0.000 0.000) 1.984 2.519 ( 6.831 -0.000 0.000) 6.831 2.710 ( 12.569 -0.000 0.000) 12.569 2.723 ( -0.816 0.000 0.000) 0.816 3.164 ( -1.812 0.000 0.000) 1.812 3.871 ( 4.805 -0.000 0.000) 4.805 3.949 ( 8.190 -0.000 0.000) 8.190 4.054 ( 8.431 -0.000 0.000) 8.431 4.296 ( -4.497 0.000 0.000) 4.497 4.353 ( 1.324 -0.000 0.000) 1.324 4.502 ( -2.171 0.000 0.000) 2.171 4.689 ( -9.263 0.000 0.000) 9.263 4.746 ( 3.487 -0.000 0.000) 3.487 4.854 ( -1.846 0.000 0.000) 1.846 4.923 ( -1.346 0.000 0.000) 1.346 5.087 ( -0.556 0.000 0.000) 0.556 5.185 ( 5.679 -0.000 0.000) 5.679 5.436 ( -1.680 0.000 0.000) 1.680 5.761 ( -6.124 0.000 0.000) 6.124 5.995 ( 0.064 -0.000 0.000) 0.064 6.461 ( -8.339 0.000 0.000) 8.339 6.908 ( -2.784 0.000 0.000) 2.784 6.974 ( 0.457 -0.000 0.000) 0.457 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 8.109 -0.339 0.000) 8.116 1.002 ( 18.049 1.595 0.000) 18.119 1.205 ( -2.459 0.504 0.000) 2.510 1.268 ( 10.027 0.177 0.000) 10.029 1.566 ( 14.355 -1.083 0.000) 14.396 1.655 ( 7.911 -0.326 0.000) 7.917 1.708 ( 5.999 -0.509 0.000) 6.021 1.756 ( 0.887 -0.266 0.000) 0.926 1.914 ( 1.798 9.292 0.000) 9.464 1.997 ( 2.966 -7.307 0.000) 7.886 2.075 ( 4.627 0.020 0.000) 4.627 2.126 ( 5.459 0.096 0.000) 5.460 2.173 ( 0.271 -0.834 0.000) 0.877 2.584 ( 10.177 0.088 0.000) 10.178 2.641 ( 5.797 -0.418 0.000) 5.812 2.703 ( -1.255 0.076 0.000) 1.257 2.933 ( 10.245 0.060 0.000) 10.245 3.157 ( 0.787 -0.370 0.000) 0.870 3.944 ( 1.903 -0.077 0.000) 1.905 4.080 ( 5.271 -0.049 0.000) 5.272 4.208 ( 7.204 -0.198 0.000) 7.207 4.213 ( -3.343 -0.014 0.000) 3.343 4.396 ( 3.245 0.080 0.000) 3.246 4.475 ( -0.839 0.381 0.000) 0.922 4.489 ( -10.533 -0.374 0.000) 10.539 4.798 ( 2.124 0.414 0.000) 2.164 4.820 ( -1.670 -0.018 0.000) 1.670 4.908 ( -0.007 0.072 0.000) 0.072 5.087 ( 0.341 0.014 0.000) 0.342 5.289 ( 5.075 0.118 0.000) 5.076 5.405 ( -1.385 0.043 0.000) 1.386 5.631 ( -7.013 0.973 0.000) 7.080 5.982 ( -0.783 2.003 0.000) 2.151 6.285 ( -10.270 -1.085 0.000) 10.327 6.852 ( -3.004 -0.156 0.000) 3.008 6.982 ( 0.454 0.251 0.000) 0.519 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.500 0.316 0.000) 1.533 1.164 ( -2.001 -0.403 0.000) 2.041 1.305 ( 14.694 3.619 0.000) 15.133 1.463 ( 9.583 -0.013 0.000) 9.583 1.695 ( 0.729 1.417 0.000) 1.593 1.778 ( 0.007 2.935 0.000) 2.935 1.793 ( 2.958 0.023 0.000) 2.958 1.809 ( 2.774 4.061 0.000) 4.918 1.863 ( 6.848 -4.012 0.000) 7.937 2.070 ( 2.469 -1.888 0.000) 3.108 2.100 ( -0.795 -0.249 0.000) 0.833 2.173 ( -0.789 -2.194 0.000) 2.332 2.421 ( 18.976 -1.675 0.000) 19.050 2.674 ( -1.820 0.058 0.000) 1.821 2.740 ( 4.383 -0.551 0.000) 4.417 2.818 ( 12.994 0.247 0.000) 12.996 3.074 ( 4.257 -0.217 0.000) 4.262 3.180 ( 0.833 -0.418 0.000) 0.932 3.921 ( -3.811 -0.080 0.000) 3.812 4.158 ( 3.529 0.006 0.000) 3.529 4.196 ( 1.175 0.033 0.000) 1.175 4.245 ( -7.617 -0.477 0.000) 7.632 4.360 ( 2.208 0.264 0.000) 2.224 4.458 ( 2.677 0.108 0.000) 2.679 4.507 ( 3.601 0.030 0.000) 3.601 4.794 ( -1.053 -0.034 0.000) 1.053 4.835 ( 2.454 0.354 0.000) 2.480 4.928 ( 2.283 0.216 0.000) 2.293 5.082 ( -1.176 0.218 0.000) 1.196 5.372 ( 3.855 0.155 0.000) 3.858 5.385 ( -0.765 0.029 0.000) 0.766 5.495 ( -6.756 0.675 0.000) 6.790 5.949 ( -1.507 2.484 0.000) 2.905 6.091 ( -10.591 -1.203 0.000) 10.659 6.800 ( -2.512 -0.317 0.000) 2.532 6.987 ( 0.245 0.482 0.000) 0.540 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.190 0.197 0.000) 0.274 1.126 ( -2.322 -0.557 0.000) 2.387 1.476 ( 3.305 5.196 0.000) 6.158 1.601 ( 4.760 0.036 0.000) 4.760 1.660 ( -1.696 2.318 0.000) 2.872 1.691 ( -0.811 3.059 0.000) 3.164 1.867 ( 4.564 0.056 0.000) 4.565 1.920 ( 5.009 1.779 0.000) 5.316 1.997 ( 4.115 -3.565 0.000) 5.444 2.078 ( -1.367 -0.383 0.000) 1.420 2.140 ( 2.959 -1.264 0.000) 3.218 2.182 ( 2.014 -4.039 0.000) 4.513 2.636 ( -2.026 0.016 0.000) 2.026 2.753 ( 14.573 -0.385 0.000) 14.578 2.812 ( 2.966 -0.439 0.000) 2.998 3.030 ( 8.915 0.246 0.000) 8.919 3.100 ( -1.327 -0.755 0.000) 1.527 3.180 ( -0.948 -0.271 0.000) 0.986 3.842 ( -3.755 -0.011 0.000) 3.755 4.099 ( -6.287 -0.514 0.000) 6.308 4.225 ( 1.475 0.104 0.000) 1.478 4.231 ( 4.414 0.109 0.000) 4.416 4.410 ( 1.917 0.571 0.000) 2.000 4.481 ( -0.346 0.033 0.000) 0.348 4.605 ( 6.378 0.060 0.000) 6.378 4.780 ( -0.408 -0.058 0.000) 0.412 4.893 ( 3.445 0.118 0.000) 3.447 4.986 ( 3.415 0.221 0.000) 3.422 5.036 ( -3.139 0.270 0.000) 3.151 5.371 ( -6.014 0.301 0.000) 6.021 5.375 ( -0.324 -0.011 0.000) 0.325 5.446 ( 4.417 0.141 0.000) 4.419 5.882 ( -7.635 0.834 0.000) 7.681 5.924 ( -4.288 0.225 0.000) 4.294 6.763 ( -1.577 -0.313 0.000) 1.607 6.987 ( -0.033 0.474 0.000) 0.475 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.551 0.147 0.000) 0.571 1.087 ( -1.686 -0.382 0.000) 1.729 1.412 ( -3.878 3.341 0.000) 5.118 1.638 ( -1.391 -1.354 0.000) 1.941 1.651 ( 1.037 0.112 0.000) 1.043 1.701 ( 1.227 2.888 0.000) 3.138 1.939 ( 2.379 -0.037 0.000) 2.380 1.965 ( 0.857 0.573 0.000) 1.031 2.037 ( -0.129 -1.576 0.000) 1.581 2.061 ( -0.391 -0.200 0.000) 0.439 2.213 ( 3.982 -1.152 0.000) 4.145 2.264 ( 3.261 -1.194 0.000) 3.472 2.605 ( -0.983 0.002 0.000) 0.983 2.852 ( 1.160 -0.108 0.000) 1.165 2.952 ( 5.470 1.169 0.000) 5.593 3.063 ( -1.337 -1.066 0.000) 1.710 3.142 ( 2.877 0.107 0.000) 2.879 3.158 ( -1.173 -0.545 0.000) 1.293 3.792 ( -1.362 0.011 0.000) 1.362 4.025 ( -1.769 -0.262 0.000) 1.788 4.242 ( 0.393 0.057 0.000) 0.397 4.318 ( 3.914 0.139 0.000) 3.917 4.425 ( 0.161 0.353 0.000) 0.388 4.449 ( -2.362 -0.053 0.000) 2.362 4.725 ( 5.265 0.095 0.000) 5.266 4.777 ( -0.042 -0.038 0.000) 0.056 4.902 ( -2.996 -0.105 0.000) 2.998 5.022 ( 2.225 0.206 0.000) 2.235 5.036 ( 1.451 0.050 0.000) 1.452 5.270 ( -3.927 0.067 0.000) 3.927 5.371 ( -0.078 -0.015 0.000) 0.079 5.552 ( 6.848 0.232 0.000) 6.852 5.709 ( -8.858 -0.351 0.000) 8.865 5.880 ( -1.296 0.630 0.000) 1.441 6.745 ( -0.428 -0.139 0.000) 0.450 6.982 ( -0.213 0.211 0.000) 0.300 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.343 0.559 0.000) 0.656 1.088 ( 1.968 -0.308 0.000) 1.992 1.362 ( -0.834 -1.447 0.000) 1.670 1.621 ( -2.040 -3.894 0.000) 4.396 1.649 ( -1.197 -0.086 0.000) 1.200 1.668 ( -3.129 0.691 0.000) 3.205 1.940 ( -2.327 0.050 0.000) 2.328 1.953 ( -2.069 -0.632 0.000) 2.163 2.055 ( 1.605 0.244 0.000) 1.623 2.066 ( 0.829 0.217 0.000) 0.857 2.244 ( -1.015 1.833 0.000) 2.095 2.294 ( -0.003 1.540 0.000) 1.540 2.605 ( 0.978 -0.001 0.000) 0.978 2.856 ( -0.766 0.239 0.000) 0.802 2.932 ( -5.572 -0.814 0.000) 5.631 3.090 ( 2.512 1.581 0.000) 2.968 3.139 ( -3.130 -0.121 0.000) 3.132 3.161 ( 1.245 -0.333 0.000) 1.289 3.792 ( 1.339 -0.019 0.000) 1.339 4.031 ( 2.348 0.287 0.000) 2.365 4.240 ( -0.509 -0.059 0.000) 0.513 4.315 ( -4.096 -0.162 0.000) 4.099 4.418 ( -0.886 -0.359 0.000) 0.956 4.451 ( 2.360 0.072 0.000) 2.361 4.722 ( -5.353 -0.117 0.000) 5.355 4.778 ( 0.113 0.034 0.000) 0.118 4.904 ( 3.101 0.110 0.000) 3.103 5.017 ( -2.700 -0.199 0.000) 2.707 5.035 ( -1.630 -0.102 0.000) 1.634 5.268 ( 3.721 -0.081 0.000) 3.721 5.372 ( 0.107 0.018 0.000) 0.109 5.546 ( -6.780 -0.286 0.000) 6.786 5.718 ( 9.092 0.468 0.000) 9.104 5.866 ( -0.191 -0.745 0.000) 0.769 6.748 ( 0.768 0.166 0.000) 0.786 6.977 ( -0.293 -0.247 0.000) 0.383 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.507 -0.293 0.000) 0.585 1.140 ( 2.985 0.836 0.000) 3.100 1.353 ( -4.615 -6.365 0.000) 7.863 1.583 ( -1.912 -4.639 0.000) 5.018 1.600 ( -4.503 -0.064 0.000) 4.504 1.639 ( -0.353 -2.059 0.000) 2.089 1.865 ( -4.802 -0.064 0.000) 4.802 1.890 ( -5.251 -1.270 0.000) 5.402 2.062 ( -1.179 2.698 0.000) 2.945 2.087 ( 1.527 0.557 0.000) 1.625 2.184 ( -3.124 2.918 0.000) 4.274 2.260 ( -1.633 3.263 0.000) 3.649 2.635 ( 1.979 -0.023 0.000) 1.979 2.764 ( -12.047 0.666 0.000) 12.065 2.824 ( -2.574 0.649 0.000) 2.655 3.024 ( -9.122 -0.374 0.000) 9.130 3.122 ( 0.864 1.388 0.000) 1.635 3.186 ( 1.082 0.192 0.000) 1.099 3.842 ( 3.841 0.010 0.000) 3.841 4.113 ( 6.581 0.762 0.000) 6.625 4.222 ( -1.597 -0.127 0.000) 1.602 4.228 ( -4.199 -0.188 0.000) 4.203 4.395 ( -1.977 -0.845 0.000) 2.150 4.480 ( 0.188 -0.046 0.000) 0.193 4.603 ( -6.322 -0.098 0.000) 6.322 4.782 ( 0.417 0.084 0.000) 0.425 4.890 ( -3.909 -0.152 0.000) 3.912 4.980 ( -3.550 -0.274 0.000) 3.560 5.028 ( 2.923 -0.541 0.000) 2.972 5.363 ( 5.400 -0.474 0.000) 5.421 5.375 ( 0.287 0.017 0.000) 0.287 5.442 ( -4.402 -0.243 0.000) 4.409 5.858 ( 1.900 -1.421 0.000) 2.372 5.920 ( 8.972 -0.093 0.000) 8.973 6.771 ( 1.870 0.531 0.000) 1.944 6.974 ( -0.388 -0.772 0.000) 0.864 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.947 -0.518 0.000) 1.080 1.175 ( 0.905 0.664 0.000) 1.122 1.202 ( -13.321 -5.799 0.000) 14.529 1.463 ( -9.847 0.070 0.000) 9.848 1.633 ( 0.912 -8.012 0.000) 8.064 1.653 ( 1.199 -3.506 0.000) 3.706 1.772 ( -7.350 -1.140 0.000) 7.438 1.792 ( -2.484 -0.026 0.000) 2.484 1.971 ( -5.939 6.139 0.000) 8.541 2.109 ( 0.560 0.520 0.000) 0.764 2.109 ( -3.404 1.943 0.000) 3.920 2.222 ( -1.296 1.867 0.000) 2.272 2.477 ( -16.192 3.607 0.000) 16.589 2.672 ( 1.693 -0.125 0.000) 1.698 2.757 ( -3.999 1.081 0.000) 4.142 2.810 ( -13.045 -0.535 0.000) 13.056 3.081 ( -4.958 0.482 0.000) 4.982 3.194 ( -0.170 0.919 0.000) 0.934 3.923 ( 3.973 0.166 0.000) 3.976 4.157 ( -3.331 -0.012 0.000) 3.331 4.195 ( -1.102 -0.073 0.000) 1.105 4.262 ( 7.847 1.110 0.000) 7.925 4.351 ( -1.709 -0.549 0.000) 1.795 4.454 ( -2.821 -0.229 0.000) 2.830 4.506 ( -3.617 -0.072 0.000) 3.618 4.795 ( 1.036 0.073 0.000) 1.039 4.823 ( -3.169 -0.819 0.000) 3.273 4.922 ( -2.308 -0.414 0.000) 2.345 5.074 ( 1.275 -0.634 0.000) 1.424 5.367 ( -3.960 -0.343 0.000) 3.975 5.384 ( 0.677 -0.061 0.000) 0.679 5.470 ( 5.180 -1.719 0.000) 5.458 5.884 ( 0.274 -3.519 0.000) 3.530 6.117 ( 11.212 1.141 0.000) 11.270 6.812 ( 2.677 0.824 0.000) 2.801 6.970 ( -0.474 -1.175 0.000) 1.267 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -16.016 -3.137 0.000) 16.320 0.954 ( -6.179 1.475 0.000) 6.353 1.179 ( -0.039 -1.904 0.000) 1.904 1.257 ( -10.747 -0.852 0.000) 10.781 1.581 ( -8.030 -0.770 0.000) 8.067 1.660 ( -5.906 -1.265 0.000) 6.040 1.718 ( -0.552 -9.170 0.000) 9.186 1.768 ( -12.216 5.763 0.000) 13.507 1.770 ( 0.073 0.992 0.000) 0.994 2.051 ( -1.899 -0.252 0.000) 1.916 2.074 ( -5.238 -0.080 0.000) 5.238 2.176 ( -4.256 2.153 0.000) 4.770 2.202 ( -6.010 3.699 0.000) 7.057 2.580 ( -9.884 -0.340 0.000) 9.890 2.661 ( -5.558 1.378 0.000) 5.726 2.699 ( 1.106 -0.302 0.000) 1.147 2.931 ( -10.537 -0.152 0.000) 10.538 3.176 ( -0.630 1.350 0.000) 1.490 3.948 ( -1.860 0.299 0.000) 1.884 4.082 ( -5.187 0.187 0.000) 5.191 4.214 ( 3.448 0.054 0.000) 3.449 4.220 ( -6.889 0.920 0.000) 6.950 4.392 ( -3.232 -0.312 0.000) 3.247 4.465 ( 2.128 -0.333 0.000) 2.154 4.499 ( 8.816 0.556 0.000) 8.833 4.774 ( -2.980 -2.012 0.000) 3.596 4.821 ( 1.689 0.067 0.000) 1.690 4.905 ( 0.239 -0.275 0.000) 0.364 5.086 ( 0.095 -0.109 0.000) 0.145 5.283 ( -5.223 -0.506 0.000) 5.247 5.403 ( 1.309 -0.169 0.000) 1.320 5.572 ( 3.562 -4.974 0.000) 6.118 5.905 ( 0.007 -4.256 0.000) 4.256 6.325 ( 11.515 2.228 0.000) 11.729 6.861 ( 2.806 0.754 0.000) 2.905 6.968 ( -0.261 -1.122 0.000) 1.152 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -15.761 0.719 0.000) 15.777 0.733 ( -15.143 2.911 0.000) 15.420 1.097 ( -6.897 -1.046 0.000) 6.975 1.216 ( 2.261 -4.297 0.000) 4.856 1.263 ( -23.986 8.039 0.000) 25.297 1.492 ( -7.531 -1.140 0.000) 7.617 1.597 ( -5.969 1.351 0.000) 6.120 1.706 ( -4.236 -5.144 0.000) 6.663 1.773 ( 0.374 1.699 0.000) 1.740 1.896 ( -12.321 -0.557 0.000) 12.334 2.037 ( -0.203 -2.783 0.000) 2.790 2.141 ( 3.077 1.974 0.000) 3.656 2.165 ( -0.247 -0.432 0.000) 0.497 2.474 ( -1.878 0.049 0.000) 1.878 2.536 ( -6.654 1.502 0.000) 6.821 2.705 ( -12.658 -0.415 0.000) 12.665 2.718 ( 0.721 -0.450 0.000) 0.850 3.177 ( 1.686 1.180 0.000) 2.058 3.874 ( -4.835 0.261 0.000) 4.842 3.951 ( -8.215 0.177 0.000) 8.217 4.063 ( -8.596 0.894 0.000) 8.643 4.297 ( 4.514 0.139 0.000) 4.516 4.351 ( -1.207 -0.144 0.000) 1.215 4.491 ( 1.079 -1.200 0.000) 1.614 4.655 ( 2.249 -3.067 0.000) 3.803 4.746 ( 1.980 -0.191 0.000) 1.990 4.855 ( 1.886 0.110 0.000) 1.889 4.925 ( 1.651 0.195 0.000) 1.662 5.090 ( 0.524 0.356 0.000) 0.634 5.178 ( -5.793 -0.637 0.000) 5.828 5.433 ( 1.645 -0.232 0.000) 1.661 5.635 ( -2.199 -12.478 0.000) 12.670 5.927 ( 0.523 -2.946 0.000) 2.992 6.525 ( 11.096 4.240 0.000) 11.878 6.905 ( 1.765 -0.331 0.000) 1.795 6.974 ( 0.580 0.023 0.000) 0.581 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -12.775 6.727 0.000) 14.438 0.396 ( -17.981 3.378 0.000) 18.296 0.719 ( -26.653 12.682 0.000) 29.516 0.996 ( -4.032 -0.474 0.000) 4.060 1.302 ( 4.495 -4.582 0.000) 6.419 1.382 ( -4.549 0.034 0.000) 4.549 1.497 ( -3.369 1.599 0.000) 3.729 1.635 ( -4.445 -2.561 0.000) 5.130 1.637 ( -12.054 -1.561 0.000) 12.155 1.794 ( 0.641 2.813 0.000) 2.885 2.080 ( 2.790 -4.924 0.000) 5.659 2.184 ( 1.727 -0.508 0.000) 1.800 2.219 ( 6.231 3.856 0.000) 7.328 2.411 ( -5.012 1.791 0.000) 5.322 2.468 ( 0.420 0.096 0.000) 0.431 2.488 ( -9.605 -0.315 0.000) 9.610 2.731 ( 0.407 -0.469 0.000) 0.621 3.223 ( 3.065 0.730 0.000) 3.150 3.789 ( -3.504 0.143 0.000) 3.507 3.801 ( -6.513 0.115 0.000) 6.514 3.911 ( -6.436 0.207 0.000) 6.440 4.340 ( -0.165 -0.004 0.000) 0.165 4.365 ( 2.524 0.149 0.000) 2.529 4.474 ( -8.961 -10.962 0.000) 14.159 4.639 ( -1.525 -2.872 0.000) 3.252 4.824 ( 3.251 0.739 0.000) 3.334 4.886 ( 1.270 0.148 0.000) 1.278 4.954 ( 1.100 0.331 0.000) 1.148 5.066 ( -5.062 -2.862 0.000) 5.815 5.116 ( 0.319 0.932 0.000) 0.985 5.462 ( 1.166 -0.220 0.000) 1.186 5.564 ( -17.694 -26.518 0.000) 31.879 5.954 ( 1.321 -0.380 0.000) 1.375 6.706 ( 11.689 8.098 0.000) 14.220 6.930 ( 0.453 -1.856 0.000) 1.911 6.986 ( 0.991 1.633 0.000) 1.910 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.090 ( -0.000 9.118 0.000) 9.118 0.161 ( -0.000 16.331 0.000) 16.331 0.242 ( -0.000 24.700 0.000) 24.700 0.957 ( 0.000 -0.181 0.000) 0.181 1.333 ( -0.000 0.494 0.000) 0.494 1.412 ( 0.000 -4.868 0.000) 4.868 1.461 ( -0.000 1.121 0.000) 1.121 1.478 ( 0.000 -0.001 0.000) 0.001 1.588 ( 0.000 -1.523 0.000) 1.523 1.790 ( -0.000 2.375 0.000) 2.375 2.181 ( 0.000 -6.760 0.000) 6.760 2.212 ( 0.000 -0.649 0.000) 0.649 2.306 ( -0.000 4.059 0.000) 4.059 2.362 ( -0.000 0.128 0.000) 0.128 2.473 ( -0.000 0.068 0.000) 0.068 2.605 ( 0.000 -2.958 0.000) 2.958 2.737 ( 0.000 -0.353 0.000) 0.353 3.262 ( -0.000 0.230 0.000) 0.230 3.734 ( -0.000 0.077 0.000) 0.077 3.753 ( -0.000 0.118 0.000) 0.118 3.754 ( -0.000 0.069 0.000) 0.069 3.845 ( -0.000 0.088 0.000) 0.088 4.339 ( -0.000 0.035 0.000) 0.035 4.389 ( -0.000 0.100 0.000) 0.100 4.647 ( -0.000 0.223 0.000) 0.223 4.847 ( -0.000 0.053 0.000) 0.053 4.897 ( -0.000 0.122 0.000) 0.122 4.898 ( -0.000 0.045 0.000) 0.045 4.969 ( -0.000 0.108 0.000) 0.108 5.117 ( -0.000 0.649 0.000) 0.649 5.259 ( 0.000 -1.940 0.000) 1.940 5.475 ( 0.000 -0.159 0.000) 0.159 5.970 ( -0.000 0.233 0.000) 0.233 6.899 ( -0.000 0.012 0.000) 0.012 6.944 ( 0.000 -2.270 0.000) 2.270 6.988 ( -0.000 2.121 0.000) 2.121 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 1.595 -0.000 0.000) 1.595 1.162 ( -2.174 0.000 0.000) 2.174 1.324 ( 14.822 -0.000 0.000) 14.822 1.462 ( 9.542 -0.000 0.000) 9.542 1.702 ( 0.768 -0.000 0.000) 0.768 1.790 ( 3.566 -0.000 0.000) 3.566 1.793 ( 3.027 -0.000 0.000) 3.027 1.837 ( 8.450 -0.000 0.000) 8.450 1.839 ( -2.822 0.000 0.000) 2.822 2.059 ( 2.647 -0.000 0.000) 2.647 2.099 ( -0.831 0.000 0.000) 0.831 2.161 ( -1.121 0.000 0.000) 1.121 2.413 ( 19.416 -0.000 0.000) 19.416 2.674 ( -1.839 0.000 0.000) 1.839 2.737 ( 4.453 -0.000 0.000) 4.453 2.819 ( 12.986 -0.000 0.000) 12.986 3.073 ( 4.145 -0.000 0.000) 4.145 3.178 ( 0.944 -0.000 0.000) 0.944 3.920 ( -3.787 0.000 0.000) 3.787 4.158 ( 3.560 -0.000 0.000) 3.560 4.196 ( 1.185 -0.000 0.000) 1.185 4.243 ( -7.592 0.000 0.000) 7.592 4.361 ( 2.275 -0.000 0.000) 2.275 4.458 ( 2.656 -0.000 0.000) 2.656 4.507 ( 3.597 -0.000 0.000) 3.597 4.793 ( -1.055 0.000 0.000) 1.055 4.837 ( 2.364 -0.000 0.000) 2.364 4.929 ( 2.280 -0.000 0.000) 2.280 5.083 ( -1.160 0.000 0.000) 1.160 5.373 ( 3.842 -0.000 0.000) 3.842 5.385 ( -0.778 0.000 0.000) 0.778 5.498 ( -6.957 0.000 0.000) 6.957 5.962 ( -1.692 0.000 0.000) 1.692 6.085 ( -10.543 0.000 0.000) 10.543 6.799 ( -2.495 0.000 0.000) 2.495 6.989 ( 0.218 -0.000 0.000) 0.218 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.377 0.071 0.000) 0.384 1.122 ( -2.142 -0.201 0.000) 2.151 1.513 ( 3.152 2.031 0.000) 3.749 1.601 ( 4.824 0.013 0.000) 4.824 1.674 ( -2.561 0.726 0.000) 2.662 1.714 ( -1.714 1.360 0.000) 2.188 1.867 ( 4.503 0.021 0.000) 4.503 1.939 ( 5.201 2.044 0.000) 5.588 1.965 ( 4.186 -2.770 0.000) 5.020 2.075 ( -1.326 -0.139 0.000) 1.333 2.135 ( 3.795 0.274 0.000) 3.805 2.149 ( 2.073 -2.418 0.000) 3.185 2.636 ( -2.038 0.006 0.000) 2.038 2.751 ( 15.234 -0.138 0.000) 15.235 2.809 ( 3.057 -0.159 0.000) 3.061 3.032 ( 8.863 0.089 0.000) 8.864 3.095 ( -1.387 -0.258 0.000) 1.411 3.178 ( -0.998 -0.108 0.000) 1.004 3.842 ( -3.733 -0.004 0.000) 3.733 4.096 ( -6.217 -0.186 0.000) 6.220 4.226 ( 1.412 0.039 0.000) 1.413 4.232 ( 4.501 0.038 0.000) 4.501 4.414 ( 1.905 0.207 0.000) 1.916 4.481 ( -0.386 0.012 0.000) 0.387 4.605 ( 6.396 0.021 0.000) 6.396 4.780 ( -0.407 -0.021 0.000) 0.407 4.894 ( 3.324 0.044 0.000) 3.325 4.987 ( 3.383 0.082 0.000) 3.384 5.038 ( -3.188 0.091 0.000) 3.189 5.373 ( -6.170 0.107 0.000) 6.171 5.375 ( -0.334 -0.004 0.000) 0.334 5.447 ( 4.432 0.049 0.000) 4.433 5.887 ( -9.838 0.275 0.000) 9.842 5.925 ( -2.369 0.112 0.000) 2.372 6.761 ( -1.513 -0.110 0.000) 1.517 6.990 ( -0.130 0.168 0.000) 0.212 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.990 0.232 0.000) 1.017 1.083 ( -1.962 -0.368 0.000) 1.996 1.442 ( -5.358 2.553 0.000) 5.935 1.625 ( -2.706 -1.213 0.000) 2.965 1.652 ( 0.995 0.070 0.000) 0.998 1.724 ( 0.197 1.592 0.000) 1.604 1.939 ( 2.395 -0.020 0.000) 2.395 1.971 ( 0.044 0.529 0.000) 0.530 2.021 ( 0.943 -1.454 0.000) 1.733 2.060 ( -0.239 -0.115 0.000) 0.265 2.205 ( 4.971 -0.545 0.000) 5.000 2.256 ( 4.656 -0.584 0.000) 4.692 2.605 ( -0.984 0.002 0.000) 0.984 2.851 ( 1.312 -0.051 0.000) 1.313 2.962 ( 5.510 0.786 0.000) 5.566 3.055 ( -0.838 -0.577 0.000) 1.018 3.142 ( 2.791 0.061 0.000) 2.792 3.152 ( -1.332 -0.468 0.000) 1.412 3.792 ( -1.370 0.005 0.000) 1.370 4.023 ( -1.568 -0.149 0.000) 1.575 4.242 ( 0.353 0.033 0.000) 0.354 4.319 ( 3.848 0.078 0.000) 3.849 4.428 ( -0.082 0.206 0.000) 0.222 4.449 ( -2.357 -0.028 0.000) 2.358 4.725 ( 5.224 0.052 0.000) 5.225 4.776 ( -0.018 -0.023 0.000) 0.029 4.901 ( -2.956 -0.060 0.000) 2.957 5.023 ( 2.056 0.123 0.000) 2.060 5.037 ( 1.404 0.019 0.000) 1.405 5.270 ( -3.996 0.037 0.000) 3.996 5.371 ( -0.068 -0.009 0.000) 0.068 5.553 ( 6.863 0.127 0.000) 6.864 5.707 ( -8.809 -0.188 0.000) 8.811 5.885 ( -1.769 0.353 0.000) 1.804 6.744 ( -0.317 -0.077 0.000) 0.327 6.984 ( -0.381 0.118 0.000) 0.399 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.846 0.743 0.000) 1.125 1.084 ( 2.686 -0.570 0.000) 2.746 1.353 ( -3.193 -0.306 0.000) 3.208 1.584 ( -2.930 -3.354 0.000) 4.454 1.649 ( -1.283 -0.049 0.000) 1.284 1.675 ( -3.852 0.602 0.000) 3.899 1.941 ( -2.303 0.038 0.000) 2.303 1.948 ( -2.447 -0.512 0.000) 2.500 2.055 ( 2.208 -0.077 0.000) 2.210 2.068 ( 1.016 0.151 0.000) 1.027 2.261 ( 0.332 1.540 0.000) 1.575 2.307 ( 0.814 0.935 0.000) 1.239 2.605 ( 0.976 -0.000 0.000) 0.976 2.858 ( -0.585 0.229 0.000) 0.628 2.925 ( -5.693 -0.461 0.000) 5.712 3.106 ( 2.975 1.547 0.000) 3.353 3.138 ( -3.239 -0.086 0.000) 3.240 3.155 ( 1.396 -0.807 0.000) 1.613 3.792 ( 1.329 -0.016 0.000) 1.329 4.034 ( 2.589 0.199 0.000) 2.597 4.240 ( -0.558 -0.041 0.000) 0.560 4.313 ( -4.168 -0.116 0.000) 4.170 4.415 ( -1.202 -0.240 0.000) 1.226 4.451 ( 2.353 0.054 0.000) 2.354 4.721 ( -5.378 -0.085 0.000) 5.379 4.778 ( 0.145 0.021 0.000) 0.147 4.905 ( 3.138 0.073 0.000) 3.139 5.016 ( -2.899 -0.130 0.000) 2.902 5.034 ( -1.720 -0.085 0.000) 1.722 5.267 ( 3.630 -0.059 0.000) 3.631 5.372 ( 0.120 0.013 0.000) 0.121 5.544 ( -6.745 -0.209 0.000) 6.748 5.722 ( 9.263 0.357 0.000) 9.270 5.859 ( -0.903 -0.542 0.000) 1.053 6.749 ( 0.922 0.121 0.000) 0.930 6.975 ( -0.519 -0.177 0.000) 0.548 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.851 -0.242 0.000) 0.885 1.148 ( 3.311 0.695 0.000) 3.383 1.297 ( -5.696 -4.934 0.000) 7.535 1.541 ( -2.524 -3.754 0.000) 4.523 1.599 ( -4.370 -0.058 0.000) 4.371 1.622 ( -1.383 -1.469 0.000) 2.017 1.865 ( -4.923 -0.045 0.000) 4.923 1.880 ( -5.249 -0.940 0.000) 5.333 2.084 ( 0.432 1.721 0.000) 1.775 2.092 ( 1.607 0.455 0.000) 1.670 2.213 ( -3.447 2.902 0.000) 4.506 2.285 ( -1.959 1.816 0.000) 2.671 2.635 ( 1.954 -0.018 0.000) 1.954 2.771 ( -10.802 0.631 0.000) 10.821 2.829 ( -2.356 0.532 0.000) 2.416 3.020 ( -9.231 -0.312 0.000) 9.236 3.135 ( 0.403 1.324 0.000) 1.384 3.187 ( 1.455 -0.005 0.000) 1.455 3.842 ( 3.886 0.006 0.000) 3.886 4.120 ( 6.746 0.626 0.000) 6.775 4.221 ( -1.570 -0.089 0.000) 1.572 4.227 ( -4.180 -0.172 0.000) 4.183 4.387 ( -2.018 -0.693 0.000) 2.134 4.480 ( 0.105 -0.036 0.000) 0.111 4.602 ( -6.303 -0.086 0.000) 6.303 4.783 ( 0.424 0.068 0.000) 0.429 4.889 ( -4.145 -0.117 0.000) 4.147 4.978 ( -3.629 -0.181 0.000) 3.634 5.022 ( 2.797 -0.532 0.000) 2.847 5.359 ( 5.080 -0.402 0.000) 5.096 5.375 ( 0.268 0.014 0.000) 0.268 5.439 ( -4.422 -0.216 0.000) 4.427 5.845 ( 0.198 -1.186 0.000) 1.203 5.920 ( 10.174 -0.034 0.000) 10.174 6.776 ( 2.059 0.474 0.000) 2.113 6.966 ( -0.643 -0.674 0.000) 0.931 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.635 -0.421 0.000) 0.761 1.150 ( -11.892 -4.762 0.000) 12.810 1.181 ( 0.240 0.532 0.000) 0.583 1.464 ( -10.003 0.092 0.000) 10.003 1.555 ( 0.189 -7.526 0.000) 7.528 1.625 ( 0.229 -2.635 0.000) 2.645 1.761 ( -7.313 -0.927 0.000) 7.371 1.792 ( -2.177 -0.011 0.000) 2.177 2.029 ( -4.691 5.669 0.000) 7.358 2.114 ( 0.418 0.483 0.000) 0.639 2.127 ( -4.137 1.671 0.000) 4.462 2.233 ( -2.693 0.478 0.000) 2.735 2.512 ( -14.685 3.386 0.000) 15.070 2.670 ( 1.613 -0.119 0.000) 1.618 2.767 ( -3.827 0.953 0.000) 3.943 2.804 ( -13.075 -0.508 0.000) 13.085 3.086 ( -5.357 0.467 0.000) 5.378 3.203 ( 0.176 0.878 0.000) 0.895 3.925 ( 4.073 0.153 0.000) 4.075 4.157 ( -3.212 -0.011 0.000) 3.212 4.194 ( -1.053 -0.069 0.000) 1.056 4.273 ( 8.032 1.108 0.000) 8.108 4.346 ( -1.316 -0.501 0.000) 1.408 4.452 ( -2.911 -0.214 0.000) 2.919 4.505 ( -3.618 -0.073 0.000) 3.619 4.795 ( 1.025 0.069 0.000) 1.027 4.815 ( -3.739 -0.833 0.000) 3.831 4.918 ( -2.327 -0.336 0.000) 2.351 5.067 ( 1.321 -0.737 0.000) 1.512 5.363 ( -4.045 -0.318 0.000) 4.058 5.383 ( 0.621 -0.057 0.000) 0.624 5.453 ( 4.009 -1.786 0.000) 4.389 5.853 ( -0.168 -2.804 0.000) 2.809 6.127 ( 11.541 0.786 0.000) 11.567 6.820 ( 2.852 0.912 0.000) 2.994 6.958 ( -0.687 -1.242 0.000) 1.419 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -13.453 -1.140 0.000) 13.501 0.970 ( -4.356 1.737 0.000) 4.689 1.160 ( -1.970 -2.006 0.000) 2.812 1.248 ( -11.559 -1.055 0.000) 11.607 1.558 ( -5.181 -4.883 0.000) 7.120 1.622 ( -5.060 -5.346 0.000) 7.361 1.657 ( -2.115 -2.921 0.000) 3.606 1.780 ( 0.725 1.024 0.000) 1.255 1.836 ( -12.264 7.489 0.000) 14.370 2.050 ( -3.201 0.190 0.000) 3.206 2.073 ( -5.712 -0.089 0.000) 5.713 2.177 ( -3.233 -0.981 0.000) 3.379 2.250 ( -8.372 4.997 0.000) 9.750 2.576 ( -9.656 -0.359 0.000) 9.662 2.674 ( -5.453 1.296 0.000) 5.605 2.696 ( 0.990 -0.326 0.000) 1.043 2.929 ( -10.764 -0.108 0.000) 10.764 3.189 ( -0.525 1.366 0.000) 1.464 3.951 ( -1.826 0.315 0.000) 1.853 4.084 ( -5.125 0.195 0.000) 5.128 4.214 ( 3.528 0.058 0.000) 3.529 4.230 ( -6.491 1.102 0.000) 6.584 4.389 ( -3.220 -0.330 0.000) 3.237 4.464 ( 1.527 0.021 0.000) 1.527 4.505 ( 9.169 0.586 0.000) 9.187 4.751 ( -3.946 -2.666 0.000) 4.762 4.821 ( 1.702 0.070 0.000) 1.704 4.902 ( 0.398 -0.279 0.000) 0.486 5.084 ( 0.506 -0.190 0.000) 0.540 5.277 ( -5.353 -0.566 0.000) 5.383 5.401 ( 1.247 -0.182 0.000) 1.260 5.518 ( 0.457 -5.850 0.000) 5.868 5.870 ( 0.653 -2.945 0.000) 3.016 6.345 ( 12.047 1.701 0.000) 12.167 6.870 ( 2.625 1.020 0.000) 2.817 6.956 ( -0.081 -1.408 0.000) 1.410 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -11.651 4.811 0.000) 12.605 0.766 ( -14.732 3.900 0.000) 15.239 1.084 ( -6.727 -1.515 0.000) 6.896 1.169 ( 1.263 -5.174 0.000) 5.325 1.333 ( -21.226 5.358 0.000) 21.892 1.481 ( -7.086 -1.157 0.000) 7.180 1.607 ( -4.886 0.351 0.000) 4.899 1.664 ( -3.611 -2.717 0.000) 4.519 1.791 ( 0.087 1.918 0.000) 1.920 1.890 ( -11.908 -0.761 0.000) 11.932 2.004 ( -2.332 -3.663 0.000) 4.342 2.150 ( 0.847 -0.623 0.000) 1.051 2.172 ( 0.603 2.050 0.000) 2.137 2.475 ( -1.769 0.057 0.000) 1.770 2.551 ( -6.582 1.509 0.000) 6.752 2.701 ( -12.767 -0.468 0.000) 12.775 2.713 ( 0.622 -0.547 0.000) 0.829 3.190 ( 1.566 1.363 0.000) 2.076 3.877 ( -4.865 0.315 0.000) 4.875 3.953 ( -8.241 0.207 0.000) 8.244 4.074 ( -8.744 1.395 0.000) 8.855 4.299 ( 4.535 0.167 0.000) 4.538 4.350 ( -1.088 -0.170 0.000) 1.101 4.475 ( -1.154 -2.091 0.000) 2.388 4.623 ( -1.079 -3.297 0.000) 3.469 4.743 ( 4.715 -0.490 0.000) 4.741 4.856 ( 1.927 0.130 0.000) 1.931 4.927 ( 1.988 0.246 0.000) 2.003 5.094 ( 0.520 0.535 0.000) 0.746 5.171 ( -5.812 -0.792 0.000) 5.866 5.431 ( 1.605 -0.288 0.000) 1.630 5.505 ( -7.295 -13.213 0.000) 15.092 5.908 ( 2.193 -1.195 0.000) 2.498 6.561 ( 11.931 3.111 0.000) 12.330 6.901 ( 0.793 -0.446 0.000) 0.909 6.974 ( 1.573 0.082 0.000) 1.576 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -16.822 4.579 0.000) 17.434 0.447 ( -6.933 12.447 0.000) 14.248 0.850 ( -22.312 13.593 0.000) 26.127 0.989 ( -3.854 -0.881 0.000) 3.953 1.248 ( 3.950 -6.237 0.000) 7.383 1.384 ( -3.813 0.319 0.000) 3.826 1.516 ( -3.269 2.281 0.000) 3.987 1.604 ( -4.331 -3.724 0.000) 5.712 1.624 ( -12.003 -1.199 0.000) 12.063 1.822 ( 0.851 2.722 0.000) 2.852 2.023 ( 2.070 -6.436 0.000) 6.761 2.177 ( 1.536 -0.913 0.000) 1.787 2.250 ( 8.453 2.291 0.000) 8.758 2.429 ( -4.803 1.638 0.000) 5.075 2.469 ( 0.427 0.138 0.000) 0.449 2.484 ( -9.333 -0.465 0.000) 9.345 2.725 ( 0.362 -0.664 0.000) 0.756 3.231 ( 2.907 0.977 0.000) 3.067 3.791 ( -3.553 0.201 0.000) 3.558 3.803 ( -6.521 0.161 0.000) 6.523 3.914 ( -6.811 0.429 0.000) 6.825 4.340 ( -0.091 0.022 0.000) 0.094 4.341 ( -21.119 -14.715 0.000) 25.740 4.367 ( 2.511 0.182 0.000) 2.518 4.622 ( 1.418 -0.746 0.000) 1.602 4.830 ( 2.868 0.418 0.000) 2.899 4.887 ( 1.300 0.205 0.000) 1.316 4.958 ( 0.789 0.539 0.000) 0.956 5.039 ( -7.115 -2.360 0.000) 7.496 5.125 ( 0.595 1.014 0.000) 1.175 5.358 ( -15.095 -15.981 0.000) 21.983 5.460 ( 1.151 -0.324 0.000) 1.196 5.954 ( 2.043 0.188 0.000) 2.051 6.763 ( 11.142 4.009 0.000) 11.841 6.912 ( 0.029 -1.774 0.000) 1.774 7.002 ( 1.431 1.471 0.000) 2.052 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.176 ( -0.000 8.478 0.000) 8.478 0.316 ( -0.000 15.539 0.000) 15.539 0.479 ( -0.000 23.719 0.000) 23.719 0.954 ( 0.000 -0.469 0.000) 0.469 1.340 ( -0.000 0.899 0.000) 0.899 1.350 ( 0.000 -7.472 0.000) 7.472 1.476 ( -0.000 2.080 0.000) 2.080 1.478 ( 0.000 -0.002 0.000) 0.002 1.566 ( 0.000 -2.918 0.000) 2.918 1.817 ( -0.000 3.055 0.000) 3.055 2.109 ( 0.000 -7.997 0.000) 7.997 2.203 ( 0.000 -1.138 0.000) 1.138 2.341 ( -0.000 2.968 0.000) 2.968 2.363 ( -0.000 0.204 0.000) 0.204 2.474 ( -0.000 0.125 0.000) 0.125 2.563 ( 0.000 -5.533 0.000) 5.533 2.732 ( 0.000 -0.627 0.000) 0.627 3.265 ( -0.000 0.436 0.000) 0.436 3.735 ( -0.000 0.138 0.000) 0.138 3.754 ( -0.000 0.209 0.000) 0.209 3.755 ( -0.000 0.121 0.000) 0.121 3.847 ( -0.000 0.155 0.000) 0.155 4.339 ( -0.000 0.076 0.000) 0.076 4.390 ( -0.000 0.161 0.000) 0.161 4.651 ( -0.000 0.533 0.000) 0.533 4.847 ( -0.000 0.094 0.000) 0.094 4.899 ( -0.000 0.080 0.000) 0.080 4.899 ( -0.000 0.214 0.000) 0.214 4.970 ( -0.000 0.185 0.000) 0.185 5.126 ( -0.000 1.121 0.000) 1.121 5.232 ( 0.000 -3.558 0.000) 3.558 5.473 ( 0.000 -0.293 0.000) 0.293 5.973 ( -0.000 0.409 0.000) 0.409 6.899 ( -0.000 0.023 0.000) 0.023 6.922 ( 0.000 -2.182 0.000) 2.182 7.007 ( -0.000 1.927 0.000) 1.927 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.233 -0.000 0.000) 1.233 1.081 ( -2.147 0.000 0.000) 2.147 1.456 ( -5.879 0.000 0.000) 5.879 1.618 ( -3.271 0.000 0.000) 3.271 1.653 ( 0.982 -0.000 0.000) 0.982 1.731 ( -0.164 0.000 0.000) 0.164 1.939 ( 2.401 -0.000 0.000) 2.401 1.974 ( -0.564 0.000 0.000) 0.564 2.013 ( 1.709 -0.000 0.000) 1.709 2.059 ( -0.184 0.000 0.000) 0.184 2.202 ( 5.324 -0.000 0.000) 5.324 2.253 ( 5.169 -0.000 0.000) 5.169 2.605 ( -0.985 0.000 0.000) 0.985 2.851 ( 1.370 -0.000 0.000) 1.370 2.966 ( 5.538 -0.000 0.000) 5.538 3.052 ( -0.635 0.000 0.000) 0.635 3.143 ( 2.760 -0.000 0.000) 2.760 3.150 ( -1.428 0.000 0.000) 1.428 3.792 ( -1.373 0.000 0.000) 1.373 4.023 ( -1.495 0.000 0.000) 1.495 4.242 ( 0.338 -0.000 0.000) 0.338 4.319 ( 3.824 -0.000 0.000) 3.824 4.429 ( -0.169 0.000 0.000) 0.169 4.449 ( -2.355 0.000 0.000) 2.355 4.726 ( 5.208 -0.000 0.000) 5.208 4.776 ( -0.010 0.000 0.000) 0.010 4.901 ( -2.942 0.000 0.000) 2.942 5.024 ( 1.994 -0.000 0.000) 1.994 5.037 ( 1.391 -0.000 0.000) 1.391 5.270 ( -4.021 0.000 0.000) 4.021 5.371 ( -0.064 0.000 0.000) 0.064 5.554 ( 6.867 -0.000 0.000) 6.867 5.706 ( -8.794 0.000 0.000) 8.794 5.887 ( -1.937 0.000 0.000) 1.937 6.743 ( -0.278 0.000 0.000) 0.278 6.984 ( -0.441 0.000 0.000) 0.441 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -1.684 0.412 0.000) 1.734 1.079 ( 3.649 -0.351 0.000) 3.665 1.353 ( -4.733 0.077 0.000) 4.733 1.560 ( -3.101 -1.355 0.000) 3.384 1.648 ( -1.335 -0.015 0.000) 1.335 1.679 ( -4.331 0.221 0.000) 4.336 1.941 ( -2.288 0.014 0.000) 2.288 1.944 ( -2.630 -0.200 0.000) 2.638 2.054 ( 2.583 -0.066 0.000) 2.584 2.069 ( 1.121 0.054 0.000) 1.122 2.272 ( 1.178 0.635 0.000) 1.338 2.312 ( 1.049 0.265 0.000) 1.082 2.605 ( 0.975 -0.000 0.000) 0.975 2.860 ( -0.463 0.098 0.000) 0.473 2.922 ( -5.788 -0.145 0.000) 5.790 3.119 ( 3.435 0.933 0.000) 3.559 3.137 ( -3.301 -0.031 0.000) 3.301 3.147 ( 1.301 -0.694 0.000) 1.474 3.792 ( 1.323 -0.006 0.000) 1.323 4.035 ( 2.724 0.071 0.000) 2.725 4.240 ( -0.586 -0.014 0.000) 0.586 4.313 ( -4.208 -0.042 0.000) 4.209 4.413 ( -1.382 -0.084 0.000) 1.384 4.452 ( 2.348 0.020 0.000) 2.348 4.721 ( -5.389 -0.031 0.000) 5.389 4.778 ( 0.163 0.007 0.000) 0.164 4.906 ( 3.156 0.025 0.000) 3.156 5.015 ( -3.010 -0.045 0.000) 3.011 5.033 ( -1.773 -0.033 0.000) 1.773 5.267 ( 3.579 -0.021 0.000) 3.579 5.372 ( 0.127 0.005 0.000) 0.127 5.542 ( -6.723 -0.076 0.000) 6.724 5.724 ( 9.389 0.135 0.000) 9.390 5.855 ( -1.336 -0.199 0.000) 1.350 6.750 ( 1.012 0.044 0.000) 1.013 6.974 ( -0.649 -0.064 0.000) 0.652 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -1.092 -0.136 0.000) 1.100 1.153 ( 3.538 0.393 0.000) 3.560 1.260 ( -6.619 -2.679 0.000) 7.140 1.512 ( -2.672 -2.082 0.000) 3.387 1.599 ( -4.276 -0.035 0.000) 4.276 1.611 ( -2.176 -0.765 0.000) 2.306 1.864 ( -5.009 -0.022 0.000) 5.009 1.872 ( -5.215 -0.505 0.000) 5.239 2.096 ( 1.474 0.819 0.000) 1.686 2.096 ( 1.663 0.254 0.000) 1.682 2.237 ( -3.603 1.992 0.000) 4.117 2.296 ( -2.314 0.527 0.000) 2.373 2.635 ( 1.937 -0.010 0.000) 1.937 2.776 ( -9.954 0.398 0.000) 9.962 2.834 ( -2.198 0.298 0.000) 2.218 3.018 ( -9.309 -0.177 0.000) 9.310 3.146 ( -0.191 0.879 0.000) 0.899 3.186 ( 2.027 -0.133 0.000) 2.032 3.842 ( 3.917 0.002 0.000) 3.917 4.125 ( 6.870 0.350 0.000) 6.879 4.221 ( -1.470 -0.040 0.000) 1.471 4.225 ( -4.247 -0.106 0.000) 4.248 4.382 ( -2.051 -0.388 0.000) 2.088 4.479 ( 0.046 -0.020 0.000) 0.050 4.602 ( -6.294 -0.050 0.000) 6.294 4.783 ( 0.429 0.038 0.000) 0.431 4.888 ( -4.313 -0.063 0.000) 4.313 4.977 ( -3.700 -0.074 0.000) 3.701 5.018 ( 2.711 -0.344 0.000) 2.732 5.356 ( 4.850 -0.230 0.000) 4.856 5.375 ( 0.254 0.008 0.000) 0.254 5.438 ( -4.446 -0.128 0.000) 4.448 5.836 ( -0.727 -0.667 0.000) 0.986 5.920 ( 10.764 -0.008 0.000) 10.764 6.780 ( 2.215 0.284 0.000) 2.233 6.961 ( -0.845 -0.396 0.000) 0.934 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.377 -0.265 0.000) 0.461 1.112 ( -10.247 -3.022 0.000) 10.684 1.186 ( -0.320 0.328 0.000) 0.458 1.465 ( -10.126 0.081 0.000) 10.126 1.492 ( -1.427 -5.172 0.000) 5.365 1.603 ( 0.111 -1.822 0.000) 1.826 1.754 ( -7.336 -0.614 0.000) 7.361 1.792 ( -1.915 0.001 0.000) 1.915 2.078 ( -3.018 4.353 0.000) 5.297 2.118 ( 0.303 0.339 0.000) 0.454 2.141 ( -4.926 1.212 0.000) 5.073 2.232 ( -4.094 -0.631 0.000) 4.143 2.540 ( -13.590 2.392 0.000) 13.798 2.669 ( 1.546 -0.086 0.000) 1.548 2.775 ( -3.718 0.632 0.000) 3.771 2.800 ( -13.100 -0.363 0.000) 13.105 3.090 ( -5.670 0.340 0.000) 5.680 3.210 ( 0.425 0.629 0.000) 0.759 3.926 ( 4.155 0.107 0.000) 4.157 4.157 ( -3.117 -0.007 0.000) 3.117 4.194 ( -1.010 -0.050 0.000) 1.012 4.282 ( 8.169 0.825 0.000) 8.211 4.342 ( -0.880 -0.338 0.000) 0.943 4.450 ( -2.986 -0.151 0.000) 2.990 4.504 ( -3.613 -0.055 0.000) 3.613 4.796 ( 1.016 0.049 0.000) 1.017 4.808 ( -4.314 -0.640 0.000) 4.361 4.915 ( -2.347 -0.192 0.000) 2.355 5.060 ( 1.343 -0.627 0.000) 1.482 5.361 ( -4.132 -0.212 0.000) 4.137 5.383 ( 0.575 -0.040 0.000) 0.576 5.437 ( 2.957 -1.366 0.000) 3.257 5.830 ( -0.346 -1.750 0.000) 1.784 6.133 ( 11.770 0.451 0.000) 11.779 6.829 ( 3.087 0.771 0.000) 3.182 6.947 ( -0.954 -1.004 0.000) 1.385 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -10.086 1.049 0.000) 10.140 0.986 ( -2.162 1.632 0.000) 2.708 1.141 ( -3.965 -1.686 0.000) 4.309 1.238 ( -12.581 -1.020 0.000) 12.622 1.486 ( -3.721 -8.413 0.000) 9.200 1.595 ( -5.029 -1.157 0.000) 5.160 1.632 ( -3.129 -2.325 0.000) 3.898 1.789 ( 1.283 0.833 0.000) 1.530 1.907 ( -11.625 6.885 0.000) 13.511 2.055 ( -4.362 0.850 0.000) 4.444 2.072 ( -6.163 -0.078 0.000) 6.163 2.161 ( -3.598 -2.305 0.000) 4.273 2.293 ( -9.044 3.740 0.000) 9.787 2.573 ( -9.439 -0.295 0.000) 9.443 2.686 ( -5.387 0.965 0.000) 5.473 2.693 ( 0.881 -0.274 0.000) 0.922 2.929 ( -10.977 -0.054 0.000) 10.977 3.202 ( -0.440 1.084 0.000) 1.170 3.954 ( -1.792 0.259 0.000) 1.811 4.086 ( -5.067 0.159 0.000) 5.069 4.215 ( 3.602 0.048 0.000) 3.602 4.240 ( -5.945 1.007 0.000) 6.029 4.386 ( -3.207 -0.272 0.000) 3.218 4.466 ( 0.671 0.318 0.000) 0.742 4.511 ( 10.042 0.724 0.000) 10.068 4.723 ( -5.360 -2.901 0.000) 6.095 4.822 ( 1.714 0.056 0.000) 1.715 4.899 ( 0.524 -0.216 0.000) 0.567 5.082 ( 0.962 -0.248 0.000) 0.993 5.272 ( -5.484 -0.475 0.000) 5.505 5.400 ( 1.186 -0.153 0.000) 1.196 5.464 ( -2.276 -5.008 0.000) 5.501 5.848 ( 1.501 -1.681 0.000) 2.253 6.358 ( 12.397 1.100 0.000) 12.446 6.881 ( 2.439 1.246 0.000) 2.739 6.941 ( 0.106 -1.566 0.000) 1.569 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -6.739 8.446 0.000) 10.805 0.807 ( -14.585 4.362 0.000) 15.223 1.068 ( -6.507 -1.765 0.000) 6.743 1.118 ( 0.438 -5.143 0.000) 5.161 1.349 ( -16.535 -2.654 0.000) 16.746 1.473 ( -5.771 -0.270 0.000) 5.777 1.602 ( -2.785 -0.985 0.000) 2.955 1.668 ( -7.489 3.406 0.000) 8.227 1.809 ( -0.210 1.829 0.000) 1.841 1.882 ( -11.547 -0.901 0.000) 11.582 1.968 ( -4.503 -3.582 0.000) 5.753 2.140 ( 0.472 -1.183 0.000) 1.273 2.192 ( -0.433 1.869 0.000) 1.919 2.475 ( -1.655 0.050 0.000) 1.655 2.565 ( -6.580 1.199 0.000) 6.688 2.696 ( -12.895 -0.410 0.000) 12.901 2.708 ( 0.519 -0.520 0.000) 0.735 3.203 ( 1.451 1.229 0.000) 1.902 3.880 ( -4.897 0.297 0.000) 4.906 3.955 ( -8.269 0.189 0.000) 8.271 4.090 ( -8.826 1.777 0.000) 9.003 4.300 ( 4.561 0.156 0.000) 4.563 4.348 ( -0.967 -0.157 0.000) 0.980 4.450 ( -5.356 -3.067 0.000) 6.172 4.594 ( -1.808 -2.446 0.000) 3.042 4.737 ( 6.655 -0.663 0.000) 6.688 4.857 ( 1.970 0.119 0.000) 1.973 4.930 ( 2.387 0.252 0.000) 2.401 5.100 ( 0.647 0.676 0.000) 0.936 5.163 ( -5.787 -0.787 0.000) 5.840 5.388 ( -9.643 -10.485 0.000) 14.245 5.428 ( 1.558 -0.280 0.000) 1.583 5.900 ( 3.159 -0.485 0.000) 3.196 6.586 ( 12.225 1.976 0.000) 12.384 6.896 ( -0.122 -0.455 0.000) 0.471 6.975 ( 2.513 0.121 0.000) 2.516 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -15.889 4.744 0.000) 16.583 0.581 ( -3.875 14.615 0.000) 15.120 0.973 ( -17.241 10.974 0.000) 20.437 0.979 ( -3.690 -1.339 0.000) 3.926 1.186 ( 3.364 -6.295 0.000) 7.137 1.389 ( -3.168 0.782 0.000) 3.263 1.539 ( -2.772 2.366 0.000) 3.644 1.566 ( -4.708 -3.787 0.000) 6.042 1.614 ( -11.930 -0.760 0.000) 11.954 1.846 ( 1.105 2.103 0.000) 2.376 1.958 ( 1.040 -6.716 0.000) 6.796 2.167 ( 1.402 -1.077 0.000) 1.768 2.260 ( 8.199 -0.189 0.000) 8.201 2.442 ( -5.199 1.148 0.000) 5.324 2.470 ( 0.438 0.148 0.000) 0.463 2.479 ( -9.110 -0.511 0.000) 9.125 2.719 ( 0.308 -0.708 0.000) 0.772 3.241 ( 2.697 0.988 0.000) 2.872 3.793 ( -3.611 0.213 0.000) 3.618 3.804 ( -6.527 0.168 0.000) 6.529 3.920 ( -7.414 0.746 0.000) 7.451 4.209 ( -25.082 -11.999 0.000) 27.805 4.340 ( -0.016 0.051 0.000) 0.053 4.369 ( 2.508 0.166 0.000) 2.513 4.620 ( 2.872 0.130 0.000) 2.875 4.832 ( 2.693 0.124 0.000) 2.696 4.889 ( 1.337 0.213 0.000) 1.354 4.965 ( 0.466 0.767 0.000) 0.898 5.022 ( -7.649 -1.248 0.000) 7.750 5.135 ( 0.957 0.921 0.000) 1.329 5.236 ( -9.248 -9.849 0.000) 13.510 5.456 ( 1.130 -0.361 0.000) 1.186 5.956 ( 2.354 0.302 0.000) 2.373 6.791 ( 9.956 1.966 0.000) 10.148 6.896 ( -0.279 -1.516 0.000) 1.541 7.015 ( 1.761 1.210 0.000) 2.137 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -0.000 7.384 0.000) 7.384 0.461 ( -0.000 14.101 0.000) 14.101 0.701 ( -0.000 21.875 0.000) 21.875 0.948 ( 0.000 -0.931 0.000) 0.931 1.274 ( 0.000 -7.877 0.000) 7.877 1.350 ( -0.000 1.148 0.000) 1.148 1.478 ( 0.000 -0.002 0.000) 0.002 1.500 ( -0.000 2.744 0.000) 2.744 1.532 ( 0.000 -4.014 0.000) 4.014 1.845 ( -0.000 2.631 0.000) 2.631 2.028 ( 0.000 -8.397 0.000) 8.397 2.191 ( 0.000 -1.361 0.000) 1.361 2.363 ( -0.000 1.588 0.000) 1.588 2.366 ( -0.000 0.215 0.000) 0.215 2.475 ( -0.000 0.157 0.000) 0.157 2.500 ( 0.000 -7.132 0.000) 7.132 2.725 ( 0.000 -0.758 0.000) 0.758 3.270 ( -0.000 0.572 0.000) 0.572 3.737 ( -0.000 0.168 0.000) 0.168 3.756 ( -0.000 0.144 0.000) 0.144 3.757 ( -0.000 0.254 0.000) 0.254 3.848 ( -0.000 0.185 0.000) 0.185 4.340 ( -0.000 0.113 0.000) 0.113 4.392 ( -0.000 0.171 0.000) 0.171 4.658 ( -0.000 0.936 0.000) 0.936 4.848 ( -0.000 0.114 0.000) 0.114 4.900 ( -0.000 0.096 0.000) 0.096 4.901 ( -0.000 0.254 0.000) 0.254 4.972 ( -0.000 0.190 0.000) 0.190 5.138 ( -0.000 1.301 0.000) 1.301 5.192 ( 0.000 -4.530 0.000) 4.530 5.469 ( 0.000 -0.373 0.000) 0.373 5.978 ( -0.000 0.489 0.000) 0.489 6.899 ( -0.000 0.028 0.000) 0.028 6.902 ( 0.000 -1.935 0.000) 1.935 7.025 ( -0.000 1.644 0.000) 1.644 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -1.178 0.000 0.000) 1.178 1.155 ( 3.619 -0.000 0.000) 3.619 1.247 ( -6.984 0.000 0.000) 6.984 1.502 ( -2.679 0.000 0.000) 2.679 1.599 ( -4.242 0.000 0.000) 4.242 1.607 ( -2.468 0.000 0.000) 2.468 1.864 ( -5.040 0.000 0.000) 5.040 1.870 ( -5.197 0.000 0.000) 5.197 2.097 ( 1.683 -0.000 0.000) 1.683 2.100 ( 1.825 -0.000 0.000) 1.825 2.248 ( -3.636 0.000 0.000) 3.636 2.298 ( -2.464 0.000 0.000) 2.464 2.635 ( 1.930 -0.000 0.000) 1.930 2.778 ( -9.656 0.000 0.000) 9.656 2.835 ( -2.141 0.000 0.000) 2.141 3.017 ( -9.337 0.000 0.000) 9.337 3.151 ( -0.557 0.000 0.000) 0.557 3.185 ( 2.394 -0.000 0.000) 2.394 3.842 ( 3.929 -0.000 0.000) 3.929 4.126 ( 6.917 -0.000 0.000) 6.917 4.220 ( -1.400 0.000 0.000) 1.400 4.225 ( -4.306 0.000 0.000) 4.306 4.380 ( -2.064 0.000 0.000) 2.064 4.479 ( 0.025 -0.000 0.000) 0.025 4.602 ( -6.292 0.000 0.000) 6.292 4.783 ( 0.432 -0.000 0.000) 0.432 4.888 ( -4.373 0.000 0.000) 4.373 4.977 ( -3.732 0.000 0.000) 3.732 5.016 ( 2.684 -0.000 0.000) 2.684 5.354 ( 4.767 -0.000 0.000) 4.767 5.376 ( 0.249 -0.000 0.000) 0.249 5.437 ( -4.457 0.000 0.000) 4.457 5.833 ( -1.018 0.000 0.000) 1.018 5.920 ( 10.939 -0.000 0.000) 10.939 6.782 ( 2.276 -0.000 0.000) 2.276 6.959 ( -0.924 0.000 0.000) 0.924 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.230 -0.089 0.000) 0.247 1.092 ( -9.080 -1.020 0.000) 9.137 1.188 ( -0.641 0.109 0.000) 0.651 1.457 ( -2.543 -1.850 0.000) 3.145 1.466 ( -10.193 0.033 0.000) 10.193 1.590 ( 0.058 -0.651 0.000) 0.654 1.750 ( -7.357 -0.215 0.000) 7.360 1.792 ( -1.764 0.002 0.000) 1.764 2.109 ( -1.124 1.755 0.000) 2.084 2.120 ( 0.238 0.122 0.000) 0.268 2.150 ( -5.839 0.546 0.000) 5.865 2.225 ( -5.289 -0.618 0.000) 5.325 2.557 ( -13.029 0.862 0.000) 13.057 2.669 ( 1.507 -0.031 0.000) 1.507 2.779 ( -3.669 0.218 0.000) 3.675 2.798 ( -13.114 -0.132 0.000) 13.115 3.092 ( -5.839 0.124 0.000) 5.841 3.215 ( 0.552 0.228 0.000) 0.597 3.927 ( 4.202 0.038 0.000) 4.202 4.157 ( -3.064 -0.003 0.000) 3.064 4.193 ( -0.985 -0.018 0.000) 0.985 4.288 ( 8.205 0.305 0.000) 8.210 4.340 ( -0.545 -0.116 0.000) 0.558 4.449 ( -3.029 -0.054 0.000) 3.029 4.504 ( -3.607 -0.021 0.000) 3.607 4.796 ( 1.010 0.018 0.000) 1.011 4.803 ( -4.688 -0.243 0.000) 4.695 4.914 ( -2.363 -0.057 0.000) 2.363 5.056 ( 1.346 -0.252 0.000) 1.370 5.359 ( -4.191 -0.071 0.000) 4.191 5.383 ( 0.549 -0.015 0.000) 0.549 5.428 ( 2.344 -0.514 0.000) 2.399 5.819 ( -0.381 -0.589 0.000) 0.701 6.135 ( 11.886 0.146 0.000) 11.887 6.834 ( 3.292 0.316 0.000) 3.308 6.940 ( -1.177 -0.400 0.000) 1.243 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -6.844 1.709 0.000) 7.054 1.000 ( -0.083 1.036 0.000) 1.040 1.128 ( -5.668 -0.986 0.000) 5.753 1.229 ( -13.521 -0.650 0.000) 13.537 1.414 ( -4.574 -5.708 0.000) 7.315 1.590 ( -3.175 -0.019 0.000) 3.175 1.612 ( -4.783 -1.735 0.000) 5.088 1.795 ( 1.654 0.465 0.000) 1.718 1.964 ( -10.703 4.522 0.000) 11.620 2.067 ( -6.142 1.510 0.000) 6.325 2.072 ( -6.486 -0.046 0.000) 6.486 2.134 ( -3.032 -3.010 0.000) 4.272 2.321 ( -9.509 1.982 0.000) 9.713 2.570 ( -9.284 -0.166 0.000) 9.285 2.691 ( 0.802 -0.156 0.000) 0.817 2.693 ( -5.349 0.507 0.000) 5.373 2.928 ( -11.129 -0.018 0.000) 11.129 3.210 ( -0.386 0.594 0.000) 0.709 3.956 ( -1.768 0.146 0.000) 1.774 4.087 ( -5.027 0.089 0.000) 5.028 4.215 ( 3.653 0.027 0.000) 3.653 4.248 ( -5.426 0.600 0.000) 5.459 4.384 ( -3.197 -0.153 0.000) 3.200 4.469 ( -0.025 0.299 0.000) 0.300 4.518 ( 11.256 0.707 0.000) 11.278 4.698 ( -7.066 -2.126 0.000) 7.379 4.822 ( 1.721 0.031 0.000) 1.722 4.898 ( 0.595 -0.114 0.000) 0.606 5.080 ( 1.328 -0.192 0.000) 1.342 5.269 ( -5.572 -0.257 0.000) 5.578 5.399 ( 1.142 -0.087 0.000) 1.145 5.425 ( -3.977 -2.818 0.000) 4.874 5.836 ( 2.080 -0.745 0.000) 2.210 6.366 ( 12.590 0.533 0.000) 12.601 6.894 ( 2.437 1.385 0.000) 2.803 6.926 ( 0.110 -1.564 0.000) 1.568 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -2.052 9.603 0.000) 9.819 0.848 ( -15.132 3.992 0.000) 15.650 1.051 ( -5.925 -1.576 0.000) 6.131 1.071 ( -0.006 -4.201 0.000) 4.201 1.293 ( -12.802 -7.528 0.000) 14.852 1.474 ( -5.067 0.304 0.000) 5.076 1.593 ( -1.542 -0.926 0.000) 1.799 1.716 ( -10.798 5.658 0.000) 12.191 1.826 ( -0.084 1.534 0.000) 1.536 1.873 ( -11.661 -0.948 0.000) 11.699 1.935 ( -6.396 -3.339 0.000) 7.215 2.129 ( 0.766 -0.943 0.000) 1.215 2.207 ( -1.786 1.081 0.000) 2.088 2.476 ( -1.562 0.033 0.000) 1.562 2.574 ( -6.618 0.749 0.000) 6.660 2.693 ( -13.007 -0.273 0.000) 13.010 2.703 ( 0.433 -0.372 0.000) 0.571 3.213 ( 1.365 0.842 0.000) 1.604 3.882 ( -4.922 0.210 0.000) 4.927 3.956 ( -8.292 0.130 0.000) 8.293 4.107 ( -8.725 1.702 0.000) 8.889 4.301 ( 4.586 0.110 0.000) 4.587 4.347 ( -0.871 -0.109 0.000) 0.877 4.419 ( -10.130 -3.089 0.000) 10.590 4.576 ( -0.755 -1.241 0.000) 1.452 4.730 ( 7.925 -0.592 0.000) 7.947 4.858 ( 2.005 0.082 0.000) 2.007 4.932 ( 2.771 0.198 0.000) 2.778 5.107 ( 1.094 0.663 0.000) 1.279 5.156 ( -5.878 -0.566 0.000) 5.905 5.305 ( -10.539 -6.596 0.000) 12.433 5.425 ( 1.516 -0.204 0.000) 1.530 5.897 ( 3.663 -0.193 0.000) 3.668 6.600 ( 12.293 1.076 0.000) 12.340 6.892 ( -0.786 -0.339 0.000) 0.855 6.976 ( 3.201 0.107 0.000) 3.203 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -15.392 3.927 0.000) 15.885 0.723 ( -4.038 14.250 0.000) 14.811 0.964 ( -3.639 -1.612 0.000) 3.980 1.053 ( -10.164 4.968 0.000) 11.313 1.130 ( 3.020 -4.875 0.000) 5.734 1.399 ( -2.771 1.283 0.000) 3.054 1.535 ( -6.055 -2.078 0.000) 6.402 1.561 ( -2.330 1.959 0.000) 3.044 1.608 ( -11.839 -0.435 0.000) 11.847 1.863 ( 1.278 1.375 0.000) 1.877 1.896 ( -0.003 -5.939 0.000) 5.939 2.157 ( 1.326 -0.962 0.000) 1.638 2.249 ( 6.314 -1.787 0.000) 6.562 2.452 ( -5.661 0.778 0.000) 5.714 2.472 ( 0.452 0.122 0.000) 0.468 2.474 ( -8.952 -0.467 0.000) 8.964 2.712 ( 0.258 -0.589 0.000) 0.643 3.250 ( 2.497 0.790 0.000) 2.619 3.795 ( -3.668 0.176 0.000) 3.672 3.806 ( -6.530 0.138 0.000) 6.532 3.929 ( -8.184 1.126 0.000) 8.261 4.111 ( -24.109 -8.137 0.000) 25.445 4.341 ( 0.046 0.060 0.000) 0.076 4.370 ( 2.511 0.120 0.000) 2.514 4.623 ( 3.730 0.478 0.000) 3.761 4.832 ( 2.664 -0.058 0.000) 2.665 4.891 ( 1.372 0.174 0.000) 1.383 4.973 ( 0.376 0.955 0.000) 1.027 5.015 ( -7.874 -0.220 0.000) 7.877 5.139 ( 0.132 -1.342 0.000) 1.348 5.159 ( -4.644 -4.896 0.000) 6.748 5.453 ( 1.107 -0.313 0.000) 1.151 5.959 ( 2.544 0.270 0.000) 2.558 6.805 ( 9.142 0.976 0.000) 9.194 6.883 ( -0.497 -1.108 0.000) 1.214 7.025 ( 2.002 0.866 0.000) 2.182 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( -0.000 5.800 0.000) 5.800 0.588 ( -0.000 11.781 0.000) 11.781 0.900 ( -0.000 18.742 0.000) 18.742 0.936 ( 0.000 -1.466 0.000) 1.466 1.202 ( 0.000 -6.536 0.000) 6.536 1.362 ( -0.000 1.235 0.000) 1.235 1.478 ( 0.000 -0.002 0.000) 0.002 1.489 ( 0.000 -4.552 0.000) 4.552 1.528 ( -0.000 2.970 0.000) 2.970 1.867 ( -0.000 1.860 0.000) 1.860 1.948 ( 0.000 -7.937 0.000) 7.937 2.178 ( 0.000 -1.279 0.000) 1.279 2.367 ( 0.000 -1.388 0.000) 1.388 2.368 ( -0.000 0.177 0.000) 0.177 2.434 ( 0.000 -5.593 0.000) 5.593 2.477 ( -0.000 0.151 0.000) 0.151 2.718 ( 0.000 -0.716 0.000) 0.716 3.276 ( -0.000 0.580 0.000) 0.580 3.739 ( -0.000 0.159 0.000) 0.159 3.757 ( -0.000 0.134 0.000) 0.134 3.759 ( -0.000 0.240 0.000) 0.240 3.850 ( -0.000 0.173 0.000) 0.173 4.341 ( -0.000 0.126 0.000) 0.126 4.393 ( -0.000 0.141 0.000) 0.141 4.669 ( -0.000 1.283 0.000) 1.283 4.849 ( -0.000 0.107 0.000) 0.107 4.901 ( -0.000 0.090 0.000) 0.090 4.904 ( -0.000 0.235 0.000) 0.235 4.974 ( -0.000 0.095 0.000) 0.095 5.145 ( 0.000 -3.317 0.000) 3.317 5.152 ( 0.000 -0.071 0.000) 0.071 5.466 ( 0.000 -0.371 0.000) 0.371 5.982 ( -0.000 0.457 0.000) 0.457 6.885 ( 0.000 -1.525 0.000) 1.525 6.900 ( -0.000 0.028 0.000) 0.028 7.039 ( -0.000 1.269 0.000) 1.269 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -5.377 0.000 0.000) 5.377 1.005 ( 0.853 -0.000 0.000) 0.853 1.123 ( -6.406 0.000 0.000) 6.406 1.226 ( -13.920 0.000 0.000) 13.920 1.385 ( -5.207 0.000 0.000) 5.207 1.591 ( -0.063 0.000 0.000) 0.063 1.602 ( -7.808 0.000 0.000) 7.808 1.798 ( 1.783 -0.000 0.000) 1.783 1.988 ( -9.976 0.000 0.000) 9.976 2.072 ( -6.603 0.000 0.000) 6.603 2.079 ( -9.721 0.000 0.000) 9.721 2.113 ( -0.232 0.000 0.000) 0.232 2.331 ( -9.680 0.000 0.000) 9.680 2.570 ( -9.227 0.000 0.000) 9.227 2.690 ( 0.774 -0.000 0.000) 0.774 2.695 ( -5.335 0.000 0.000) 5.335 2.928 ( -11.184 0.000 0.000) 11.184 3.213 ( -0.368 0.000 0.000) 0.368 3.956 ( -1.759 0.000 0.000) 1.759 4.088 ( -5.013 0.000 0.000) 5.013 4.215 ( 3.672 -0.000 0.000) 3.672 4.251 ( -5.207 0.000 0.000) 5.207 4.383 ( -3.193 0.000 0.000) 3.193 4.471 ( -0.257 0.000 0.000) 0.257 4.522 ( 11.958 -0.000 0.000) 11.958 4.687 ( -8.013 0.000 0.000) 8.013 4.822 ( 1.724 -0.000 0.000) 1.724 4.897 ( 0.617 -0.000 0.000) 0.617 5.079 ( 1.469 -0.000 0.000) 1.469 5.267 ( -5.599 0.000 0.000) 5.599 5.398 ( 1.125 -0.000 0.000) 1.125 5.411 ( -4.538 0.000 0.000) 4.538 5.833 ( 2.276 -0.000 0.000) 2.276 6.369 ( 12.651 -0.000 0.000) 12.651 6.904 ( 3.897 -0.000 0.000) 3.897 6.914 ( -1.349 0.000 0.000) 1.349 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -16.547 1.909 0.000) 16.657 0.905 ( 2.104 5.337 0.000) 5.736 1.036 ( 0.681 -1.501 0.000) 1.648 1.044 ( -5.444 -1.050 0.000) 5.544 1.226 ( -13.039 -4.766 0.000) 13.883 1.477 ( -4.866 0.171 0.000) 4.869 1.585 ( -0.726 -0.457 0.000) 0.858 1.763 ( -12.207 3.170 0.000) 12.612 1.838 ( 1.521 0.809 0.000) 1.723 1.864 ( -13.271 -0.610 0.000) 13.285 1.906 ( -7.264 -1.988 0.000) 7.531 2.122 ( 1.041 -0.349 0.000) 1.097 2.214 ( -2.640 0.338 0.000) 2.661 2.476 ( -1.510 0.012 0.000) 1.510 2.579 ( -6.651 0.253 0.000) 6.656 2.691 ( -13.072 -0.095 0.000) 13.073 2.701 ( 0.385 -0.135 0.000) 0.408 3.219 ( 1.321 0.298 0.000) 1.354 3.884 ( -4.937 0.076 0.000) 4.937 3.957 ( -8.305 0.046 0.000) 8.305 4.120 ( -8.494 0.757 0.000) 8.528 4.302 ( 4.602 0.040 0.000) 4.602 4.346 ( -0.818 -0.039 0.000) 0.819 4.396 ( -13.106 -1.349 0.000) 13.176 4.569 ( 0.146 -0.349 0.000) 0.378 4.726 ( 8.563 -0.241 0.000) 8.567 4.859 ( 2.025 0.029 0.000) 2.025 4.933 ( 3.020 0.077 0.000) 3.021 5.112 ( 1.760 0.301 0.000) 1.785 5.152 ( -6.130 -0.179 0.000) 6.133 5.261 ( -10.996 -2.291 0.000) 11.232 5.424 ( 1.491 -0.075 0.000) 1.493 5.896 ( 3.885 -0.052 0.000) 3.885 6.607 ( 12.297 0.340 0.000) 12.302 6.890 ( -1.125 -0.125 0.000) 1.132 6.977 ( 3.555 0.042 0.000) 3.555 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -15.258 2.245 0.000) 15.422 0.851 ( -7.906 11.408 0.000) 13.880 0.949 ( -3.701 -1.207 0.000) 3.893 1.066 ( -0.618 -1.945 0.000) 2.041 1.094 ( 2.972 -2.558 0.000) 3.921 1.411 ( -2.265 0.925 0.000) 2.447 1.528 ( -8.833 0.352 0.000) 8.840 1.577 ( -1.649 1.156 0.000) 2.014 1.605 ( -11.769 -0.197 0.000) 11.771 1.847 ( -0.753 -3.838 0.000) 3.911 1.873 ( 1.366 0.670 0.000) 1.521 2.150 ( 1.291 -0.570 0.000) 1.412 2.231 ( 4.209 -1.636 0.000) 4.516 2.458 ( -5.736 0.506 0.000) 5.758 2.470 ( -9.017 -0.372 0.000) 9.025 2.472 ( 0.463 0.068 0.000) 0.468 2.708 ( 0.223 -0.333 0.000) 0.401 3.256 ( 2.360 0.438 0.000) 2.400 3.796 ( -3.708 0.099 0.000) 3.710 3.807 ( -6.531 0.077 0.000) 6.531 3.941 ( -8.774 1.277 0.000) 8.866 4.049 ( -22.330 -4.556 0.000) 22.790 4.342 ( 0.089 0.040 0.000) 0.097 4.371 ( 2.515 0.062 0.000) 2.515 4.628 ( 4.286 0.408 0.000) 4.305 4.831 ( 2.692 -0.094 0.000) 2.694 4.893 ( 1.396 0.097 0.000) 1.400 4.982 ( 0.563 0.707 0.000) 0.904 5.018 ( -8.838 0.904 0.000) 8.884 5.095 ( -3.096 -4.600 0.000) 5.545 5.152 ( 0.969 0.312 0.000) 1.018 5.450 ( 1.089 -0.183 0.000) 1.104 5.961 ( 2.657 0.156 0.000) 2.661 6.811 ( 8.705 0.413 0.000) 8.714 6.875 ( -0.628 -0.585 0.000) 0.858 7.031 ( 2.151 0.453 0.000) 2.198 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -0.000 3.732 0.000) 3.732 0.686 ( -0.000 8.179 0.000) 8.179 0.921 ( 0.000 -1.581 0.000) 1.581 1.060 ( -0.000 13.490 0.000) 13.490 1.150 ( 0.000 -4.067 0.000) 4.067 1.374 ( -0.000 1.294 0.000) 1.294 1.446 ( 0.000 -4.199 0.000) 4.199 1.478 ( 0.000 -0.001 0.000) 0.001 1.556 ( -0.000 2.496 0.000) 2.496 1.878 ( 0.000 -6.213 0.000) 6.213 1.882 ( -0.000 1.072 0.000) 1.072 2.167 ( 0.000 -0.908 0.000) 0.908 2.327 ( 0.000 -5.517 0.000) 5.517 2.369 ( -0.000 0.114 0.000) 0.114 2.408 ( 0.000 -0.586 0.000) 0.586 2.478 ( -0.000 0.107 0.000) 0.107 2.712 ( 0.000 -0.508 0.000) 0.508 3.281 ( -0.000 0.434 0.000) 0.434 3.740 ( -0.000 0.114 0.000) 0.114 3.758 ( -0.000 0.094 0.000) 0.094 3.761 ( -0.000 0.171 0.000) 0.171 3.852 ( -0.000 0.122 0.000) 0.122 4.343 ( -0.000 0.100 0.000) 0.100 4.395 ( -0.000 0.089 0.000) 0.089 4.681 ( -0.000 1.252 0.000) 1.252 4.850 ( -0.000 0.076 0.000) 0.076 4.901 ( -0.000 0.064 0.000) 0.064 4.906 ( -0.000 0.164 0.000) 0.164 4.974 ( 0.000 -0.066 0.000) 0.066 5.106 ( 0.000 -3.453 0.000) 3.453 5.161 ( -0.000 0.824 0.000) 0.824 5.462 ( 0.000 -0.275 0.000) 0.275 5.986 ( -0.000 0.323 0.000) 0.323 6.873 ( 0.000 -0.977 0.000) 0.977 6.900 ( -0.000 0.020 0.000) 0.020 7.049 ( -0.000 0.805 0.000) 0.805 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -15.258 0.000 0.000) 15.258 0.919 ( -15.257 0.000 0.000) 15.257 0.943 ( -3.747 0.000 0.000) 3.747 1.043 ( 8.884 -0.000 0.000) 8.884 1.081 ( 3.006 -0.000 0.000) 3.006 1.415 ( -1.971 0.000 0.000) 1.971 1.532 ( -9.985 0.000 0.000) 9.985 1.583 ( -1.532 0.000 0.000) 1.532 1.604 ( -11.744 0.000 0.000) 11.744 1.827 ( -0.982 0.000 0.000) 0.982 1.876 ( 1.391 -0.000 0.000) 1.391 2.147 ( 1.280 -0.000 0.000) 1.280 2.223 ( 3.299 -0.000 0.000) 3.299 2.461 ( -5.271 0.000 0.000) 5.271 2.468 ( -9.514 0.000 0.000) 9.514 2.473 ( 0.467 -0.000 0.000) 0.467 2.706 ( 0.211 -0.000 0.000) 0.211 3.258 ( 2.312 -0.000 0.000) 2.312 3.797 ( -3.723 0.000 0.000) 3.723 3.807 ( -6.531 0.000 0.000) 6.531 3.949 ( -8.728 0.000 0.000) 8.728 4.025 ( -21.842 0.000 0.000) 21.842 4.342 ( 0.104 -0.000 0.000) 0.104 4.371 ( 2.516 -0.000 0.000) 2.516 4.630 ( 4.492 -0.000 0.000) 4.492 4.831 ( 2.710 -0.000 0.000) 2.710 4.893 ( 1.405 -0.000 0.000) 1.405 4.985 ( 0.523 -0.000 0.000) 0.523 5.026 ( -10.681 0.000 0.000) 10.681 5.068 ( -1.013 0.000 0.000) 1.013 5.154 ( 1.211 -0.000 0.000) 1.211 5.449 ( 1.082 -0.000 0.000) 1.082 5.962 ( 2.695 -0.000 0.000) 2.695 6.813 ( 8.568 -0.000 0.000) 8.568 6.872 ( -0.671 0.000 0.000) 0.671 7.034 ( 2.202 -0.000 0.000) 2.202 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -0.000 1.290 0.000) 1.290 0.742 ( -0.000 3.005 0.000) 3.005 0.909 ( 0.000 -0.715 0.000) 0.715 1.124 ( 0.000 -1.332 0.000) 1.332 1.153 ( -0.000 5.138 0.000) 5.138 1.388 ( -0.000 1.726 0.000) 1.726 1.411 ( 0.000 -2.938 0.000) 2.938 1.478 ( 0.000 -0.000 0.000) 0.000 1.574 ( -0.000 1.028 0.000) 1.028 1.834 ( 0.000 -2.519 0.000) 2.519 1.889 ( -0.000 0.347 0.000) 0.347 2.161 ( 0.000 -0.328 0.000) 0.328 2.285 ( 0.000 -2.501 0.000) 2.501 2.370 ( -0.000 0.039 0.000) 0.039 2.406 ( -0.000 0.001 0.000) 0.001 2.479 ( -0.000 0.039 0.000) 0.039 2.708 ( 0.000 -0.184 0.000) 0.184 3.284 ( -0.000 0.161 0.000) 0.161 3.741 ( -0.000 0.041 0.000) 0.041 3.759 ( -0.000 0.034 0.000) 0.034 3.762 ( -0.000 0.062 0.000) 0.062 3.852 ( -0.000 0.044 0.000) 0.044 4.343 ( -0.000 0.038 0.000) 0.038 4.395 ( -0.000 0.030 0.000) 0.030 4.691 ( -0.000 0.549 0.000) 0.549 4.851 ( -0.000 0.028 0.000) 0.028 4.902 ( -0.000 0.023 0.000) 0.023 4.907 ( -0.000 0.059 0.000) 0.059 4.973 ( 0.000 -0.087 0.000) 0.087 5.083 ( 0.000 -1.282 0.000) 1.282 5.166 ( -0.000 0.296 0.000) 0.296 5.461 ( 0.000 -0.102 0.000) 0.102 5.989 ( -0.000 0.116 0.000) 0.116 6.866 ( 0.000 -0.336 0.000) 0.336 6.900 ( -0.000 0.007 0.000) 0.007 7.055 ( -0.000 0.277 0.000) 0.277 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 0.000 0.000 11.748) 11.748 0.376 ( 0.000 0.000 19.554) 19.554 0.625 ( 0.000 0.000 25.526) 25.526 0.954 ( 0.000 0.000 0.600) 0.600 1.229 ( 0.000 0.000 -9.200) 9.200 1.412 ( 0.000 0.000 -2.630) 2.630 1.465 ( 0.000 0.000 2.706) 2.706 1.521 ( 0.000 0.000 2.927) 2.927 1.593 ( 0.000 0.000 -0.189) 0.189 1.873 ( 0.000 0.000 4.815) 4.815 2.113 ( 0.000 0.000 -2.541) 2.541 2.228 ( 0.000 0.000 1.286) 1.286 2.237 ( 0.000 0.000 1.134) 1.134 2.295 ( 0.000 0.000 -4.511) 4.511 2.346 ( 0.000 0.000 -1.583) 1.583 2.422 ( 0.000 0.000 -5.366) 5.366 2.982 ( 0.000 0.000 -0.002) 0.002 3.172 ( 0.000 0.000 -7.341) 7.341 3.736 ( 0.000 0.000 0.194) 0.194 3.745 ( 0.000 0.000 -0.197) 0.197 3.770 ( 0.000 0.000 1.176) 1.176 3.839 ( 0.000 0.000 -0.677) 0.677 4.353 ( 0.000 0.000 1.472) 1.472 4.552 ( 0.000 0.000 -5.366) 5.366 4.770 ( 0.000 0.000 5.676) 5.676 4.851 ( 0.000 0.000 0.457) 0.457 4.892 ( 0.000 0.000 -0.561) 0.561 4.978 ( 0.000 0.000 1.268) 1.268 5.045 ( 0.000 0.000 -2.265) 2.265 5.106 ( 0.000 0.000 -0.810) 0.810 5.516 ( 0.000 0.000 3.906) 3.906 5.764 ( 0.000 0.000 -2.988) 2.988 6.022 ( 0.000 0.000 5.391) 5.391 6.535 ( 0.000 0.000 -8.862) 8.862 7.026 ( 0.000 0.000 5.158) 5.158 7.242 ( 0.000 0.000 -1.647) 1.647 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 14.052 -1.916 7.141) 15.878 0.530 ( 12.537 -2.649 12.749) 18.076 0.830 ( 16.132 -2.313 9.748) 18.990 1.031 ( 10.007 -0.377 9.241) 13.627 1.241 ( 0.011 0.047 -7.776) 7.776 1.402 ( 2.266 1.468 0.142) 2.704 1.481 ( 1.440 -1.185 1.552) 2.426 1.644 ( 9.612 0.645 -0.571) 9.651 1.645 ( 5.831 0.736 -0.469) 5.895 1.844 ( -1.464 -0.107 5.916) 6.096 2.095 ( -1.831 1.337 -2.137) 3.116 2.174 ( -3.211 0.114 -0.392) 3.236 2.180 ( -2.580 -0.422 -1.017) 2.805 2.391 ( 6.903 -0.479 -1.534) 7.088 2.420 ( 0.161 -0.090 -4.674) 4.677 2.472 ( 10.034 0.103 -1.588) 10.159 2.832 ( -5.904 0.111 6.391) 8.702 3.137 ( -3.182 -0.486 -7.419) 8.087 3.796 ( 3.614 -0.059 0.734) 3.688 3.802 ( 6.430 -0.059 0.196) 6.433 3.898 ( 5.807 -0.030 -1.066) 5.904 4.069 ( 15.031 0.504 -15.540) 21.626 4.355 ( 0.214 -0.020 1.455) 1.471 4.510 ( -4.310 0.015 -3.298) 5.427 4.717 ( -1.391 1.603 3.525) 4.115 4.816 ( -4.095 -0.323 -0.112) 4.109 4.927 ( 1.021 0.060 1.712) 1.995 4.964 ( -1.459 -0.276 1.038) 1.812 5.071 ( 3.131 1.069 -1.588) 3.669 5.099 ( -0.649 -0.827 -0.740) 1.286 5.507 ( -0.626 0.663 4.262) 4.359 5.784 ( 2.141 7.950 -3.653) 9.007 6.002 ( -1.652 -0.025 4.889) 5.161 6.504 ( -4.090 -2.439 -8.839) 10.040 7.018 ( -0.768 -0.048 4.344) 4.412 7.096 ( -8.338 1.160 6.476) 10.621 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 17.039 0.978 4.748) 17.715 0.788 ( 12.012 -2.150 6.175) 13.677 1.088 ( 11.304 -1.063 -1.418) 11.442 1.214 ( -1.730 1.196 -3.583) 4.155 1.369 ( 20.869 -3.119 14.971) 25.872 1.485 ( 5.780 2.200 -0.615) 6.215 1.544 ( 4.722 -3.210 -1.327) 5.862 1.752 ( 6.846 3.818 0.509) 7.855 1.831 ( 0.237 0.536 4.689) 4.726 1.855 ( 10.649 0.951 -3.324) 11.196 2.044 ( -2.426 -0.304 -1.137) 2.696 2.125 ( -1.723 -0.682 0.040) 1.853 2.166 ( 1.168 0.146 -0.516) 1.285 2.438 ( 3.054 0.120 -4.525) 5.460 2.537 ( 7.333 -0.692 1.486) 7.514 2.686 ( 11.253 0.236 -2.083) 11.447 2.769 ( -1.140 -0.008 4.074) 4.231 3.087 ( -1.760 -0.937 -7.631) 7.887 3.883 ( 5.004 -0.198 1.110) 5.130 3.950 ( 8.212 -0.222 0.026) 8.215 4.034 ( 7.809 -0.293 -1.884) 8.038 4.230 ( 3.437 0.064 -7.607) 8.347 4.362 ( 0.555 0.111 0.762) 0.949 4.414 ( -4.725 0.101 -4.101) 6.258 4.684 ( -6.144 1.462 0.532) 6.337 4.729 ( -0.610 -0.206 -0.818) 1.041 4.926 ( -0.814 0.003 3.803) 3.889 4.935 ( -1.569 -0.158 1.318) 2.055 5.084 ( -0.177 -0.025 -0.236) 0.296 5.155 ( 4.717 0.048 -2.272) 5.236 5.491 ( -0.665 0.560 5.171) 5.244 5.744 ( -2.534 5.849 -0.085) 6.375 5.971 ( -1.299 1.405 2.045) 2.801 6.403 ( -7.691 -2.275 -7.461) 10.954 6.973 ( -4.799 0.396 5.050) 6.978 7.002 ( -0.849 0.281 2.500) 2.655 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 5.924 -0.858 2.393) 6.446 1.008 ( 16.998 3.293 3.454) 17.656 1.175 ( -1.017 1.153 -2.000) 2.523 1.320 ( 12.074 -0.441 2.785) 12.398 1.583 ( 6.107 1.374 -0.406) 6.273 1.667 ( 6.416 -0.998 0.410) 6.506 1.709 ( 10.093 -3.973 3.390) 11.365 1.794 ( -0.029 3.789 1.423) 4.048 1.849 ( 1.335 5.657 2.621) 6.376 1.992 ( 4.106 0.859 -4.516) 6.164 2.066 ( 3.232 -4.144 0.848) 5.323 2.172 ( 9.194 -3.586 2.545) 10.192 2.206 ( 2.197 0.173 1.367) 2.593 2.567 ( 10.687 0.083 -2.109) 10.893 2.659 ( 5.011 -0.679 1.050) 5.164 2.717 ( -1.977 0.222 1.187) 2.316 2.920 ( 10.248 0.003 -1.101) 10.307 3.091 ( 1.426 -1.187 -7.045) 7.285 3.961 ( 2.162 -0.295 1.632) 2.725 4.087 ( 5.733 -0.279 0.499) 5.761 4.173 ( 5.921 -0.504 -3.278) 6.786 4.223 ( -2.646 -0.068 0.984) 2.824 4.360 ( -1.559 0.299 -2.775) 3.197 4.377 ( 1.000 -0.013 -7.785) 7.849 4.544 ( -5.382 -0.103 4.383) 6.942 4.744 ( 1.324 0.982 -2.285) 2.817 4.907 ( -1.025 -0.020 4.384) 4.503 4.913 ( -0.444 0.206 0.644) 0.809 5.090 ( 0.644 0.064 0.766) 1.003 5.237 ( 3.669 0.132 -3.456) 5.043 5.481 ( -0.084 0.504 5.983) 6.005 5.645 ( -5.187 3.052 2.761) 6.621 5.936 ( -1.392 2.495 -0.490) 2.899 6.245 ( -9.714 -1.712 -5.727) 11.406 6.895 ( -3.558 -0.026 3.552) 5.027 6.987 ( -0.481 0.732 0.747) 1.151 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.995 0.350 1.408) 1.759 1.154 ( -1.306 -0.584 -1.566) 2.121 1.288 ( 14.087 5.174 3.141) 15.332 1.532 ( 9.633 1.002 3.016) 10.144 1.680 ( 1.633 2.132 1.928) 3.306 1.716 ( -2.987 6.807 -0.448) 7.447 1.749 ( 4.592 2.492 -0.346) 5.236 1.832 ( 4.813 -1.730 1.818) 5.428 1.924 ( 5.499 -4.667 1.360) 7.339 2.043 ( 1.784 -1.084 -2.917) 3.587 2.123 ( 1.881 -2.997 1.192) 3.734 2.226 ( -0.187 -0.860 1.997) 2.183 2.469 ( 15.160 -2.241 2.705) 15.562 2.682 ( -0.619 -0.098 0.814) 1.028 2.724 ( 3.037 -0.807 -2.120) 3.791 2.815 ( 12.841 0.375 -0.795) 12.871 3.068 ( 4.955 -0.478 -0.875) 5.054 3.130 ( 1.438 -0.881 -5.107) 5.378 3.940 ( -3.907 -0.184 2.001) 4.393 4.173 ( 2.978 -0.008 1.446) 3.311 4.187 ( -5.127 -0.616 -5.317) 7.412 4.205 ( 0.953 0.046 0.902) 1.313 4.340 ( 2.367 0.415 -1.568) 2.869 4.431 ( 4.352 0.025 -6.101) 7.494 4.519 ( 0.940 0.048 5.264) 5.347 4.763 ( 0.968 0.495 -2.148) 2.408 4.899 ( 0.676 0.188 3.641) 3.708 4.925 ( 1.926 0.282 0.042) 1.947 5.093 ( -0.546 0.296 1.974) 2.069 5.289 ( 2.008 0.142 -3.965) 4.447 5.484 ( 0.545 0.454 5.671) 5.715 5.529 ( -5.729 1.264 4.289) 7.267 5.894 ( -1.715 2.489 -2.147) 3.708 6.062 ( -10.096 -1.187 -4.304) 11.040 6.837 ( -2.627 -0.193 3.069) 4.044 6.976 ( -0.249 0.866 -0.557) 1.059 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.061 0.074 1.116) 1.120 1.121 ( -2.353 -0.750 -1.102) 2.704 1.450 ( 3.802 6.078 3.326) 7.903 1.628 ( 1.016 4.121 0.583) 4.285 1.657 ( -1.173 2.863 -0.596) 3.151 1.663 ( 4.357 1.228 2.604) 5.222 1.885 ( 7.553 -0.089 4.677) 8.884 1.925 ( 3.723 0.209 1.471) 4.008 2.017 ( 1.637 -2.163 -1.068) 2.915 2.083 ( 2.002 -2.498 0.231) 3.209 2.181 ( 2.395 -1.949 1.831) 3.590 2.227 ( 0.544 -3.138 0.865) 3.300 2.569 ( -2.079 0.317 -4.765) 5.208 2.769 ( 1.683 -0.426 -5.266) 5.545 2.822 ( 11.554 -0.628 4.706) 12.492 3.028 ( 9.010 0.328 -0.431) 9.026 3.107 ( -0.979 -1.014 -0.320) 1.445 3.145 ( 0.026 -0.632 -3.045) 3.110 3.859 ( -3.904 -0.009 1.798) 4.298 4.063 ( -5.706 -0.462 -3.872) 6.911 4.231 ( 1.444 0.138 0.786) 1.650 4.250 ( 4.321 0.222 1.603) 4.614 4.388 ( 2.223 0.601 -1.055) 2.533 4.526 ( 0.426 0.046 2.758) 2.792 4.533 ( 4.998 0.040 -3.954) 6.373 4.770 ( -0.343 0.108 -1.828) 1.863 4.940 ( 3.647 0.240 2.447) 4.398 4.979 ( 3.498 0.204 -0.458) 3.533 5.064 ( -2.199 0.206 4.074) 4.634 5.316 ( 1.040 0.139 -3.990) 4.125 5.413 ( -5.613 0.497 4.822) 7.416 5.508 ( 2.024 0.173 4.332) 4.785 5.844 ( -3.627 1.210 -2.749) 4.710 5.887 ( -7.505 -0.192 -3.433) 8.255 6.797 ( -1.620 -0.182 3.027) 3.439 6.968 ( -0.170 0.672 -1.355) 1.522 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.157 -0.267 0.807) 0.865 1.083 ( -1.489 -0.137 -0.600) 1.611 1.416 ( -1.623 2.514 3.423) 4.546 1.627 ( -0.607 0.680 -1.721) 1.947 1.682 ( 3.096 2.089 1.050) 3.880 1.712 ( 1.320 0.492 3.637) 3.900 1.964 ( 1.081 0.302 0.500) 1.228 1.994 ( 2.671 -0.288 5.753) 6.349 2.026 ( -0.054 -0.511 0.473) 0.698 2.110 ( -0.084 -0.510 3.437) 3.476 2.235 ( 2.197 -1.490 0.914) 2.807 2.273 ( 1.417 -1.557 -0.539) 2.173 2.524 ( -1.633 0.160 -7.136) 7.322 2.792 ( 0.555 -0.119 -7.096) 7.118 2.987 ( 5.254 1.178 3.650) 6.504 3.074 ( -1.834 -1.184 -0.259) 2.199 3.136 ( -0.144 -0.232 -1.677) 1.699 3.144 ( 2.232 -0.269 0.118) 2.251 3.808 ( -1.389 0.025 1.635) 2.146 3.992 ( -1.896 -0.200 -3.410) 3.907 4.249 ( 0.485 0.075 0.871) 0.999 4.325 ( 2.871 0.252 0.233) 2.891 4.420 ( 1.651 0.263 0.650) 1.794 4.494 ( -2.372 -0.088 4.130) 4.763 4.641 ( 4.757 0.132 -6.019) 7.673 4.745 ( -2.128 -0.057 -2.564) 3.333 5.012 ( 2.392 -0.024 3.610) 4.331 5.026 ( -0.271 0.173 3.266) 3.282 5.034 ( 1.454 0.049 0.894) 1.707 5.319 ( -3.461 0.105 5.489) 6.490 5.330 ( 0.372 0.064 -3.844) 3.863 5.572 ( 5.010 0.196 1.918) 5.368 5.704 ( -7.916 -0.363 -1.146) 8.007 5.833 ( -0.738 0.596 -3.951) 4.063 6.777 ( -0.547 -0.071 3.075) 3.125 6.964 ( -0.072 0.252 -1.725) 1.745 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 17.702 -0.000 4.439) 18.250 0.776 ( 12.537 -0.000 6.318) 14.039 1.082 ( 11.880 -0.000 -1.429) 11.966 1.220 ( -1.850 0.000 -4.220) 4.608 1.354 ( 20.615 -0.000 15.395) 25.729 1.505 ( 7.251 -0.000 -0.426) 7.263 1.519 ( 3.160 -0.000 -1.743) 3.608 1.772 ( 7.735 -0.000 0.764) 7.773 1.834 ( 0.861 -0.000 5.877) 5.940 1.861 ( 10.752 -0.000 -3.826) 11.413 2.041 ( -4.244 0.000 -1.470) 4.492 2.122 ( -1.785 0.000 0.068) 1.786 2.167 ( 1.262 -0.000 -0.712) 1.449 2.439 ( 3.066 -0.000 -4.463) 5.415 2.534 ( 7.376 -0.000 1.618) 7.552 2.687 ( 11.285 -0.000 -2.104) 11.480 2.769 ( -1.175 0.000 3.964) 4.135 3.083 ( -1.759 0.000 -7.740) 7.937 3.882 ( 4.990 -0.000 1.084) 5.106 3.949 ( 8.191 -0.000 -0.037) 8.191 4.032 ( 7.769 -0.000 -1.823) 7.980 4.230 ( 3.309 -0.000 -7.611) 8.299 4.362 ( 0.593 -0.000 0.778) 0.978 4.415 ( -4.723 0.000 -4.216) 6.331 4.692 ( -8.298 0.000 0.332) 8.304 4.727 ( 1.307 -0.000 -0.820) 1.543 4.926 ( -0.824 0.000 4.029) 4.113 4.934 ( -1.475 0.000 1.104) 1.842 5.084 ( -0.255 0.000 -0.174) 0.308 5.155 ( 4.784 -0.000 -2.391) 5.348 5.494 ( -0.752 0.000 5.313) 5.366 5.772 ( -4.180 0.000 -0.471) 4.206 5.979 ( -0.936 0.000 0.787) 1.223 6.390 ( -7.308 0.000 -6.836) 10.007 6.975 ( -5.005 0.000 5.186) 7.207 7.003 ( -0.736 0.000 2.591) 2.693 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 6.565 -0.319 2.491) 7.029 1.033 ( 17.530 1.519 3.201) 17.885 1.183 ( -1.762 0.406 -2.145) 2.806 1.316 ( 12.569 -0.311 2.546) 12.828 1.595 ( 5.594 0.944 -1.122) 5.783 1.655 ( 7.668 -1.074 -0.235) 7.746 1.681 ( 11.638 -1.610 5.310) 12.893 1.812 ( -0.770 0.664 2.850) 3.026 1.920 ( -2.036 7.166 0.264) 7.454 1.999 ( 3.563 0.249 -4.537) 5.774 2.014 ( 6.337 -5.687 1.478) 8.642 2.149 ( 8.291 -1.104 2.355) 8.689 2.207 ( 1.945 0.036 1.656) 2.555 2.567 ( 10.566 0.019 -2.185) 10.789 2.654 ( 5.199 -0.255 1.269) 5.358 2.719 ( -1.995 0.078 1.204) 2.331 2.920 ( 10.182 0.014 -1.213) 10.254 3.083 ( 1.527 -0.443 -7.162) 7.337 3.959 ( 2.185 -0.107 1.576) 2.696 4.085 ( 5.798 -0.103 0.378) 5.811 4.170 ( 5.935 -0.169 -3.189) 6.740 4.223 ( -2.595 -0.025 0.974) 2.772 4.362 ( -1.629 0.121 -2.648) 3.111 4.377 ( 0.996 -0.019 -8.021) 8.083 4.544 ( -5.362 -0.026 4.477) 6.986 4.751 ( 1.116 0.332 -2.329) 2.604 4.906 ( -0.964 -0.004 4.338) 4.444 4.914 ( -0.390 0.075 0.644) 0.756 5.091 ( 0.738 0.024 0.756) 1.057 5.238 ( 3.659 0.039 -3.536) 5.089 5.484 ( -0.151 0.183 6.179) 6.183 5.665 ( -6.291 1.011 2.821) 6.968 5.955 ( -1.413 1.142 -1.769) 2.535 6.232 ( -9.394 -0.753 -5.340) 10.832 6.895 ( -3.648 0.006 3.808) 5.274 6.992 ( -0.449 0.257 0.753) 0.913 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.169 0.221 1.273) 1.743 1.149 ( -1.692 -0.372 -1.527) 2.309 1.332 ( 14.473 3.468 2.832) 15.150 1.538 ( 10.086 0.326 4.160) 10.915 1.694 ( 3.089 0.866 1.506) 3.544 1.764 ( 1.842 2.940 -0.677) 3.535 1.783 ( -2.521 3.664 -0.715) 4.505 1.819 ( 4.947 -0.369 0.440) 4.980 1.883 ( 5.542 -3.658 2.143) 6.978 2.037 ( 1.184 -0.148 -3.391) 3.594 2.093 ( 2.023 -2.970 1.426) 3.866 2.218 ( -0.793 -0.564 2.823) 2.986 2.452 ( 16.590 -1.290 3.244) 16.954 2.682 ( -1.054 -0.023 0.673) 1.251 2.717 ( 3.242 -0.481 -1.987) 3.833 2.818 ( 12.772 0.213 -0.879) 12.804 3.064 ( 4.672 -0.267 -0.937) 4.772 3.123 ( 1.759 -0.495 -5.217) 5.528 3.939 ( -3.812 -0.106 1.967) 4.291 4.173 ( 2.984 -0.005 1.408) 3.299 4.182 ( -4.922 -0.344 -5.189) 7.161 4.205 ( 0.986 0.026 0.903) 1.337 4.343 ( 2.449 0.233 -1.611) 2.941 4.431 ( 4.376 0.013 -6.111) 7.517 4.520 ( 0.945 0.037 5.248) 5.332 4.767 ( 0.725 0.262 -2.089) 2.227 4.901 ( 0.742 0.120 3.724) 3.800 4.927 ( 1.894 0.153 -0.081) 1.902 5.096 ( -0.537 0.155 1.861) 1.943 5.290 ( 2.004 0.075 -3.979) 4.456 5.487 ( 0.559 0.255 5.891) 5.922 5.538 ( -6.441 0.660 4.293) 7.769 5.915 ( -1.989 1.711 -3.026) 4.005 6.051 ( -9.899 -0.918 -4.070) 10.742 6.835 ( -2.635 -0.083 3.348) 4.261 6.983 ( -0.330 0.470 -0.578) 0.815 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.343 0.073 0.957) 1.019 1.115 ( -2.100 -0.512 -1.065) 2.409 1.504 ( 3.431 4.824 2.895) 6.589 1.661 ( -1.510 2.420 0.980) 3.016 1.673 ( 4.127 0.825 3.308) 5.353 1.687 ( -1.112 3.083 -0.446) 3.308 1.883 ( 7.226 -0.244 3.649) 8.098 1.929 ( 4.384 0.743 0.711) 4.503 1.993 ( 2.972 -2.781 -0.175) 4.074 2.063 ( 1.894 -1.634 -0.785) 2.622 2.163 ( 3.772 -1.889 1.396) 4.444 2.201 ( -0.552 -2.088 2.433) 3.254 2.572 ( -2.049 0.217 -4.567) 5.010 2.766 ( 1.851 -0.317 -5.065) 5.403 2.816 ( 12.483 -0.447 4.679) 13.339 3.030 ( 9.005 0.225 -0.442) 9.019 3.099 ( -0.916 -0.626 -0.124) 1.116 3.139 ( -0.207 -0.517 -3.430) 3.475 3.859 ( -3.853 -0.008 1.799) 4.253 4.059 ( -5.624 -0.334 -3.706) 6.743 4.232 ( 1.434 0.102 0.794) 1.642 4.252 ( 4.428 0.152 1.655) 4.730 4.393 ( 2.171 0.421 -1.184) 2.508 4.526 ( -0.128 0.070 3.480) 3.483 4.534 ( 5.542 0.001 -4.684) 7.257 4.770 ( -0.459 0.072 -1.788) 1.847 4.942 ( 3.607 0.196 2.585) 4.442 4.980 ( 3.424 0.118 -0.525) 3.466 5.066 ( -2.294 0.139 3.905) 4.531 5.318 ( 1.021 0.097 -3.951) 4.082 5.417 ( -5.911 0.343 4.880) 7.673 5.509 ( 2.000 0.116 4.402) 4.837 5.855 ( -6.020 0.975 -2.824) 6.721 5.885 ( -5.416 -0.236 -3.732) 6.581 6.796 ( -1.581 -0.110 3.243) 3.610 6.974 ( -0.344 0.463 -1.374) 1.490 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.426 -0.011 0.700) 0.820 1.080 ( -1.461 -0.348 -0.610) 1.621 1.445 ( -3.610 3.162 3.221) 5.780 1.628 ( -1.638 -0.428 -1.003) 1.967 1.703 ( 1.102 1.867 0.749) 2.294 1.716 ( 0.946 0.498 3.565) 3.722 1.967 ( 0.801 0.287 0.318) 0.909 1.992 ( 2.718 -0.156 4.860) 5.571 2.019 ( 0.545 -0.942 1.274) 1.676 2.103 ( 0.518 -0.740 3.305) 3.426 2.223 ( 3.362 -0.970 1.106) 3.670 2.260 ( 3.102 -1.041 -0.379) 3.294 2.526 ( -1.771 0.117 -7.048) 7.268 2.791 ( 0.678 -0.108 -6.988) 7.021 2.999 ( 5.653 1.349 3.710) 6.895 3.063 ( -1.762 -0.923 0.026) 1.990 3.129 ( -0.815 -0.988 -2.162) 2.513 3.144 ( 2.980 0.132 0.116) 2.985 3.808 ( -1.407 0.017 1.641) 2.162 3.990 ( -1.716 -0.173 -3.326) 3.747 4.250 ( 0.420 0.062 0.880) 0.977 4.327 ( 2.725 0.214 0.275) 2.748 4.423 ( 1.422 0.220 0.602) 1.560 4.493 ( -2.362 -0.060 4.076) 4.711 4.642 ( 4.715 0.105 -5.984) 7.620 4.744 ( -2.160 -0.056 -2.586) 3.370 5.012 ( 2.126 0.019 4.177) 4.687 5.027 ( -0.194 0.168 3.002) 3.013 5.034 ( 1.443 -0.024 0.583) 1.556 5.319 ( -3.582 0.085 5.515) 6.576 5.330 ( 0.317 0.048 -3.817) 3.830 5.574 ( 5.047 0.160 1.906) 5.397 5.701 ( -7.827 -0.280 -1.095) 7.908 5.838 ( -1.270 0.487 -4.104) 4.324 6.777 ( -0.483 -0.055 3.159) 3.196 6.966 ( -0.308 0.206 -1.733) 1.772 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.115 0.510 0.817) 0.970 1.083 ( 1.829 -0.171 -0.510) 1.906 1.398 ( -0.697 -1.253 3.618) 3.892 1.611 ( -0.882 -2.511 -1.260) 2.945 1.668 ( -4.040 -0.587 0.706) 4.143 1.706 ( -1.976 -0.733 3.016) 3.680 1.961 ( -1.273 -0.281 0.789) 1.523 1.997 ( -2.758 0.251 6.613) 7.170 2.029 ( 0.681 0.152 -0.243) 0.739 2.113 ( 0.629 0.178 3.497) 3.558 2.251 ( -0.869 1.710 0.756) 2.061 2.289 ( 0.013 1.594 -0.585) 1.698 2.523 ( 1.474 -0.173 -7.260) 7.410 2.793 ( -0.426 0.101 -7.222) 7.235 2.977 ( -5.123 -0.778 3.637) 6.331 3.086 ( 1.829 1.228 -0.718) 2.317 3.135 ( -0.441 -0.308 -0.925) 1.070 3.148 ( -1.182 0.333 -0.035) 1.228 3.807 ( 1.371 -0.027 1.629) 2.129 3.994 ( 2.084 0.179 -3.502) 4.079 4.248 ( -0.553 -0.071 0.859) 1.024 4.323 ( -3.028 -0.231 0.196) 3.043 4.418 ( -1.902 -0.244 0.696) 2.040 4.495 ( 2.387 0.099 4.182) 4.816 4.640 ( -4.798 -0.131 -6.058) 7.729 4.745 ( 2.095 0.042 -2.542) 3.294 5.013 ( -2.782 0.056 2.850) 3.983 5.024 ( 0.509 -0.115 4.009) 4.042 5.033 ( -1.522 -0.128 0.926) 1.786 5.317 ( 3.337 -0.101 5.472) 6.410 5.329 ( -0.437 -0.067 -3.887) 3.912 5.570 ( -4.967 -0.187 1.934) 5.334 5.708 ( 8.047 0.371 -1.209) 8.146 5.827 ( 0.131 -0.574 -3.784) 3.829 6.778 ( 0.623 0.072 2.987) 3.052 6.961 ( -0.185 -0.240 -1.717) 1.744 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.255 -0.040 1.336) 1.360 1.129 ( 2.643 0.848 -1.113) 2.990 1.391 ( -4.537 -5.874 3.810) 8.343 1.585 ( -2.533 -4.456 0.593) 5.160 1.632 ( 0.319 -2.274 -0.821) 2.439 1.649 ( -4.427 -1.400 1.433) 4.859 1.885 ( -7.787 -0.075 5.660) 9.627 1.924 ( -3.183 0.041 2.151) 3.842 2.035 ( -0.489 1.478 -1.739) 2.333 2.108 ( -1.220 2.417 1.168) 2.949 2.201 ( -2.267 2.207 1.691) 3.588 2.257 ( -1.296 2.862 -0.048) 3.142 2.566 ( 2.130 -0.348 -5.022) 5.466 2.774 ( -1.495 0.425 -5.527) 5.742 2.828 ( -10.437 0.687 4.716) 11.473 3.024 ( -9.002 -0.362 -0.421) 9.019 3.118 ( 0.918 1.259 -0.521) 1.643 3.151 ( -0.145 0.523 -2.611) 2.667 3.859 ( 3.965 0.007 1.796) 4.353 4.067 ( 5.808 0.477 -4.076) 7.111 4.230 ( -1.442 -0.139 0.774) 1.642 4.248 ( -4.207 -0.246 1.542) 4.487 4.382 ( -2.290 -0.645 -0.903) 2.544 4.526 ( -0.865 0.015 2.194) 2.359 4.533 ( -4.569 -0.089 -3.377) 5.683 4.768 ( 0.199 -0.123 -1.875) 1.889 4.937 ( -3.689 -0.210 2.313) 4.359 4.977 ( -3.581 -0.265 -0.431) 3.616 5.062 ( 2.067 -0.232 4.305) 4.781 5.315 ( -1.063 -0.151 -4.035) 4.175 5.408 ( 5.246 -0.544 4.751) 7.099 5.506 ( -2.074 -0.198 4.242) 4.726 5.832 ( 1.962 -1.188 -2.501) 3.394 5.888 ( 8.829 0.140 -3.232) 9.403 6.799 ( 1.690 0.231 2.765) 3.249 6.961 ( -0.058 -0.743 -1.326) 1.522 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.860 -0.401 1.562) 1.828 1.159 ( 0.735 0.578 -1.595) 1.849 1.237 ( -13.179 -5.131 3.610) 14.596 1.518 ( -8.902 -1.879 1.513) 9.223 1.642 ( 2.255 -6.402 -0.525) 6.808 1.659 ( -0.273 -3.645 2.039) 4.185 1.731 ( -7.298 -1.339 1.262) 7.526 1.849 ( -3.943 1.594 2.992) 5.200 1.971 ( -4.742 4.746 -0.039) 6.709 2.056 ( -2.696 1.696 -2.344) 3.955 2.149 ( -2.097 2.295 1.529) 3.464 2.233 ( -0.827 0.615 1.029) 1.456 2.493 ( -13.046 2.588 1.858) 13.429 2.684 ( -0.156 0.245 1.096) 1.134 2.732 ( -2.766 0.891 -2.342) 3.732 2.811 ( -12.948 -0.445 -0.654) 12.972 3.073 ( -5.306 0.587 -0.784) 5.395 3.140 ( -1.056 1.068 -4.963) 5.185 3.942 ( 4.039 0.216 2.048) 4.534 4.173 ( -2.909 0.011 1.483) 3.265 4.194 ( 5.360 0.755 -5.466) 7.692 4.204 ( -0.886 -0.054 0.875) 1.246 4.336 ( -2.244 -0.503 -1.512) 2.752 4.430 ( -4.324 -0.034 -6.087) 7.467 4.519 ( -0.913 -0.023 5.292) 5.370 4.758 ( -1.355 -0.655 -2.216) 2.678 4.897 ( -0.591 -0.182 3.545) 3.599 4.922 ( -1.957 -0.359 0.164) 1.996 5.090 ( 0.553 -0.402 2.172) 2.278 5.288 ( -2.026 -0.188 -3.946) 4.440 5.479 ( -0.472 -0.554 5.348) 5.398 5.514 ( 4.563 -1.680 4.297) 6.489 5.870 ( 1.436 -2.440 -1.109) 3.041 6.073 ( 10.391 1.046 -4.457) 11.354 6.839 ( 2.645 0.327 2.669) 3.772 6.966 ( 0.117 -1.115 -0.512) 1.232 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -10.618 -2.385 2.194) 11.101 0.987 ( -9.893 0.707 3.787) 10.616 1.161 ( -0.303 -1.710 -1.804) 2.504 1.323 ( -11.349 0.076 3.152) 11.778 1.571 ( -6.262 -1.007 0.404) 6.355 1.665 ( -4.210 -1.779 0.768) 4.635 1.716 ( -0.486 -7.226 -0.449) 7.257 1.764 ( -7.730 3.370 3.470) 9.119 1.833 ( -4.400 1.513 2.723) 5.391 1.984 ( -5.037 -0.722 -3.895) 6.408 2.093 ( -3.153 1.726 0.881) 3.701 2.202 ( -2.790 -0.311 1.417) 3.144 2.217 ( -9.337 4.854 1.983) 10.708 2.566 ( -10.820 -0.167 -1.967) 10.998 2.667 ( -4.774 0.878 0.682) 4.901 2.715 ( 1.924 -0.329 1.146) 2.264 2.920 ( -10.361 0.067 -0.889) 10.399 3.105 ( -1.255 1.584 -6.860) 7.151 3.964 ( -2.122 0.411 1.729) 2.768 4.090 ( -5.621 0.374 0.702) 5.677 4.180 ( -5.855 0.810 -3.440) 6.838 4.224 ( 2.729 0.093 0.999) 2.908 4.357 ( 1.495 -0.359 -2.828) 3.219 4.377 ( -1.076 -0.047 -7.565) 7.641 4.546 ( 5.434 0.247 4.210) 6.878 4.732 ( -1.742 -1.580 -2.158) 3.192 4.907 ( 1.139 0.044 4.452) 4.596 4.911 ( 0.533 -0.284 0.659) 0.894 5.090 ( -0.451 -0.091 0.802) 0.925 5.235 ( -3.714 -0.250 -3.325) 4.992 5.475 ( -0.045 -0.702 5.637) 5.681 5.607 ( 3.087 -4.761 2.855) 6.353 5.912 ( 1.752 -2.364 1.227) 3.188 6.263 ( 10.145 1.842 -6.134) 11.997 6.896 ( 3.412 0.160 3.105) 4.616 6.978 ( 0.546 -1.102 0.755) 1.443 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -14.808 0.818 5.016) 15.656 0.814 ( -10.846 3.259 5.901) 12.770 1.097 ( -9.799 0.434 -1.190) 9.881 1.198 ( 1.010 -1.931 -1.571) 2.687 1.411 ( -21.120 5.104 13.710) 25.692 1.468 ( -5.583 -1.309 -0.212) 5.738 1.575 ( -4.950 2.926 -1.059) 5.847 1.703 ( -4.585 -5.812 -0.070) 7.403 1.822 ( -1.171 -1.353 -0.327) 1.819 1.846 ( -8.953 -0.830 -0.178) 8.993 2.040 ( -0.908 -1.167 -0.213) 1.494 2.138 ( 1.197 2.061 -0.180) 2.390 2.164 ( -0.993 -0.311 -0.045) 1.041 2.437 ( -3.031 -0.205 -4.682) 5.581 2.546 ( -7.247 1.057 1.153) 7.414 2.683 ( -11.149 -0.440 -2.036) 11.342 2.769 ( 1.016 0.046 4.385) 4.501 3.100 ( 1.762 1.592 -7.346) 7.720 3.885 ( -5.045 0.350 1.182) 5.193 3.953 ( -8.267 0.379 0.197) 8.278 4.038 ( -7.918 0.635 -2.070) 8.209 4.228 ( -3.851 -0.216 -7.607) 8.529 4.360 ( -0.448 -0.183 0.723) 0.870 4.413 ( 4.732 -0.204 -3.765) 6.050 4.665 ( 2.780 -2.359 1.070) 3.800 4.730 ( 3.352 0.077 -0.781) 3.443 4.926 ( 0.831 0.078 3.452) 3.551 4.937 ( 1.787 0.211 1.644) 2.438 5.085 ( 0.001 0.136 -0.386) 0.409 5.154 ( -4.560 -0.204 -1.991) 4.980 5.483 ( 0.305 -1.159 4.771) 4.919 5.665 ( -0.978 -9.746 1.705) 9.943 5.959 ( 2.320 -0.928 3.820) 4.564 6.429 ( 8.322 2.852 -8.525) 12.250 6.968 ( 4.262 -0.595 4.742) 6.404 6.998 ( 1.207 -0.453 2.238) 2.583 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -9.578 6.797 7.574) 13.976 0.574 ( -11.034 5.751 12.093) 17.351 0.871 ( -14.944 5.605 5.747) 16.964 1.039 ( -11.018 1.447 11.676) 16.119 1.239 ( 1.130 -0.578 -6.371) 6.496 1.381 ( -3.179 -2.342 0.257) 3.957 1.498 ( -1.830 2.179 1.408) 3.175 1.627 ( -5.064 -2.557 -0.432) 5.690 1.636 ( -9.846 -1.274 -0.661) 9.950 1.845 ( 1.279 0.040 4.529) 4.706 2.069 ( 2.083 -3.817 -1.561) 4.620 2.175 ( 2.698 0.296 -1.393) 3.050 2.184 ( 2.745 0.557 -1.015) 2.979 2.398 ( -6.208 0.984 -2.523) 6.773 2.421 ( -0.451 0.231 -4.146) 4.177 2.471 ( -9.969 -0.281 -1.585) 10.099 2.830 ( 5.510 -0.311 6.562) 8.574 3.146 ( 3.206 1.270 -7.072) 7.868 3.797 ( -3.662 0.163 0.749) 3.742 3.803 ( -6.478 0.162 0.227) 6.484 3.899 ( -5.950 0.113 -1.119) 6.056 4.060 ( -15.510 -1.497 -14.439) 21.243 4.355 ( -0.152 0.060 1.440) 1.449 4.509 ( 4.386 -0.047 -3.125) 5.386 4.689 ( 0.918 -3.982 4.953) 6.421 4.820 ( 3.738 0.546 -0.174) 3.782 4.927 ( -1.099 -0.067 1.485) 1.849 4.969 ( 1.620 0.658 1.182) 2.110 5.057 ( -3.359 -1.624 -1.071) 3.882 5.109 ( 0.421 1.091 -0.769) 1.400 5.492 ( -0.606 -3.052 4.155) 5.191 5.662 ( -5.211 -14.435 3.862) 15.825 6.003 ( 2.069 0.334 5.312) 5.710 6.539 ( 4.822 3.971 -11.293) 12.906 7.019 ( 1.012 0.114 4.060) 4.186 7.077 ( 6.621 -2.316 6.183) 9.351 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -0.000 14.064 7.883) 16.123 0.408 ( -0.000 6.277 17.932) 18.999 0.644 ( -0.000 3.886 24.364) 24.672 0.955 ( -0.000 0.289 1.623) 1.649 1.234 ( -0.000 1.078 -8.989) 9.054 1.392 ( 0.000 -3.670 -1.782) 4.080 1.476 ( -0.000 1.752 2.431) 2.997 1.519 ( 0.000 -0.528 2.754) 2.804 1.586 ( 0.000 -1.492 -0.172) 1.502 1.868 ( 0.000 -0.874 4.751) 4.830 2.116 ( 0.000 -0.464 -4.577) 4.601 2.225 ( 0.000 -1.118 0.382) 1.181 2.225 ( 0.000 -0.550 1.335) 1.444 2.312 ( -0.000 2.565 -4.886) 5.518 2.346 ( -0.000 0.072 -1.613) 1.615 2.424 ( -0.000 0.264 -5.405) 5.411 2.968 ( 0.000 -2.611 1.271) 2.904 3.179 ( -0.000 1.310 -7.154) 7.273 3.736 ( -0.000 0.070 0.191) 0.204 3.746 ( -0.000 0.083 -0.202) 0.219 3.770 ( -0.000 0.082 1.171) 1.174 3.839 ( -0.000 0.078 -0.682) 0.686 4.353 ( -0.000 0.104 1.473) 1.477 4.552 ( -0.000 0.062 -5.441) 5.442 4.749 ( 0.000 -4.267 7.422) 8.561 4.851 ( -0.000 0.051 0.456) 0.458 4.893 ( -0.000 0.044 -0.562) 0.563 4.982 ( -0.000 0.661 1.396) 1.545 5.032 ( 0.000 -2.229 -1.207) 2.534 5.112 ( -0.000 0.965 -0.836) 1.277 5.500 ( 0.000 -4.365 4.786) 6.477 5.662 ( 0.000 -15.709 6.979) 17.189 6.024 ( -0.000 0.336 5.496) 5.506 6.565 ( -0.000 4.703 -11.991) 12.880 7.028 ( -0.000 0.350 4.826) 4.839 7.203 ( 0.000 -6.504 1.860) 6.764 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 1.245 -0.000 1.221) 1.744 1.147 ( -1.832 0.000 -1.511) 2.374 1.350 ( 14.572 -0.000 2.730) 14.826 1.539 ( 10.269 -0.000 4.564) 11.238 1.698 ( 3.429 -0.000 1.020) 3.577 1.784 ( 0.949 -0.000 -0.527) 1.085 1.789 ( 3.108 -0.000 -0.087) 3.109 1.831 ( -2.051 0.000 -0.808) 2.205 1.859 ( 7.022 -0.000 2.298) 7.388 2.038 ( 0.708 -0.000 -4.103) 4.163 2.075 ( 2.510 -0.000 2.270) 3.385 2.216 ( -0.987 0.000 3.129) 3.281 2.445 ( 17.091 -0.000 3.427) 17.431 2.682 ( -1.192 0.000 0.633) 1.350 2.715 ( 3.320 -0.000 -1.943) 3.847 2.819 ( 12.748 -0.000 -0.906) 12.780 3.063 ( 4.561 -0.000 -0.959) 4.661 3.121 ( 1.885 -0.000 -5.259) 5.587 3.938 ( -3.778 0.000 1.954) 4.253 4.172 ( 2.961 -0.000 1.387) 3.270 4.181 ( -4.826 0.000 -5.137) 7.049 4.205 ( 0.996 -0.000 0.902) 1.344 4.344 ( 2.478 -0.000 -1.627) 2.965 4.431 ( 4.385 -0.000 -6.115) 7.525 4.520 ( 0.944 -0.000 5.242) 5.327 4.768 ( 0.643 -0.000 -2.066) 2.164 4.901 ( 0.767 -0.000 3.757) 3.834 4.928 ( 1.880 -0.000 -0.131) 1.884 5.096 ( -0.533 0.000 1.825) 1.901 5.291 ( 2.004 -0.000 -3.984) 4.459 5.488 ( 0.559 -0.000 5.969) 5.995 5.542 ( -6.677 0.000 4.294) 7.939 5.924 ( -2.084 0.000 -3.403) 3.990 6.046 ( -9.850 0.000 -3.928) 10.604 6.835 ( -2.640 0.000 3.449) 4.344 6.985 ( -0.358 0.000 -0.584) 0.684 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.511 0.030 0.875) 1.014 1.112 ( -1.949 -0.181 -1.036) 2.214 1.538 ( 3.306 1.903 2.640) 4.639 1.675 ( 0.512 0.535 3.514) 3.591 1.679 ( 0.718 0.531 1.494) 1.741 1.710 ( -1.648 1.361 -0.406) 2.175 1.881 ( 7.007 -0.148 2.947) 7.603 1.939 ( 5.187 1.338 0.052) 5.357 1.966 ( 3.398 -2.279 0.425) 4.113 2.052 ( 1.607 -0.523 -1.354) 2.166 2.148 ( 5.101 -0.934 1.236) 5.331 2.188 ( -1.225 -0.617 3.452) 3.714 2.573 ( -2.036 0.077 -4.459) 4.903 2.763 ( 1.952 -0.117 -4.960) 5.332 2.813 ( 13.003 -0.164 4.659) 13.813 3.032 ( 8.997 0.080 -0.449) 9.008 3.095 ( -0.819 -0.206 0.013) 0.845 3.136 ( -0.402 -0.201 -3.670) 3.698 3.859 ( -3.824 -0.003 1.800) 4.227 4.057 ( -5.578 -0.122 -3.614) 6.647 4.233 ( 1.424 0.038 0.798) 1.633 4.253 ( 4.493 0.054 1.685) 4.799 4.396 ( 2.142 0.151 -1.258) 2.489 4.527 ( -0.620 0.035 4.131) 4.178 4.534 ( 6.029 -0.007 -5.339) 8.053 4.771 ( -0.524 0.025 -1.764) 1.841 4.943 ( 3.583 0.076 2.677) 4.473 4.981 ( 3.379 0.037 -0.583) 3.429 5.067 ( -2.342 0.049 3.818) 4.479 5.318 ( 1.010 0.035 -3.929) 4.057 5.420 ( -6.078 0.122 4.913) 7.816 5.510 ( 1.993 0.040 4.440) 4.867 5.862 ( -8.783 0.418 -2.679) 9.192 5.883 ( -2.831 -0.148 -4.089) 4.976 6.795 ( -1.565 -0.036 3.365) 3.711 6.977 ( -0.438 0.164 -1.384) 1.460 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.781 0.100 0.565) 0.969 1.077 ( -1.642 -0.309 -0.567) 1.765 1.473 ( -4.927 2.458 3.066) 6.303 1.621 ( -2.711 -0.731 -0.334) 2.828 1.713 ( 0.034 0.331 3.122) 3.140 1.724 ( 0.349 0.951 0.672) 1.216 1.969 ( 0.569 0.197 0.364) 0.704 1.992 ( 2.583 0.277 3.646) 4.477 2.008 ( 1.306 -1.165 2.389) 2.961 2.097 ( 1.052 -0.521 3.133) 3.345 2.216 ( 4.125 -0.426 1.270) 4.337 2.253 ( 4.405 -0.466 -0.210) 4.434 2.526 ( -1.864 0.061 -7.000) 7.244 2.790 ( 0.767 -0.065 -6.918) 6.961 3.011 ( 6.391 0.993 3.846) 7.525 3.056 ( -1.910 -0.487 0.257) 1.988 3.119 ( -1.030 -0.859 -2.569) 2.898 3.146 ( 2.994 0.103 0.045) 2.996 3.808 ( -1.420 0.009 1.645) 2.173 3.989 ( -1.587 -0.101 -3.268) 3.635 4.250 ( 0.374 0.035 0.887) 0.963 4.329 ( 2.624 0.123 0.309) 2.645 4.425 ( 1.264 0.125 0.566) 1.391 4.493 ( -2.358 -0.028 4.035) 4.673 4.643 ( 4.684 0.057 -5.961) 7.581 4.744 ( -2.184 -0.036 -2.602) 3.397 5.013 ( 1.979 0.031 4.563) 4.974 5.029 ( -0.252 0.110 3.141) 3.153 5.034 ( 1.509 -0.048 0.055) 1.510 5.320 ( -3.672 0.047 5.541) 6.647 5.331 ( 0.282 0.025 -3.806) 3.817 5.575 ( 5.070 0.089 1.900) 5.415 5.699 ( -7.778 -0.150 -1.062) 7.852 5.842 ( -1.629 0.273 -4.211) 4.524 6.776 ( -0.441 -0.030 3.217) 3.248 6.968 ( -0.472 0.115 -1.738) 1.805 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.417 0.587 0.717) 1.016 1.080 ( 2.497 -0.379 -0.354) 2.550 1.391 ( -2.894 -0.130 3.794) 4.773 1.584 ( -2.279 -2.779 -0.276) 3.605 1.668 ( -4.180 0.409 -0.044) 4.201 1.698 ( -2.560 -0.905 2.258) 3.531 1.958 ( -1.376 -0.203 1.104) 1.776 1.999 ( -2.978 0.151 7.387) 7.966 2.030 ( 1.354 -0.028 -0.896) 1.624 2.114 ( 1.063 0.017 3.524) 3.681 2.267 ( 0.308 1.444 0.632) 1.606 2.302 ( 0.842 1.062 -0.506) 1.447 2.521 ( 1.329 -0.137 -7.395) 7.515 2.794 ( -0.321 0.065 -7.336) 7.343 2.971 ( -5.117 -0.382 3.627) 6.283 3.097 ( 1.316 1.019 -1.505) 2.244 3.131 ( 0.757 -0.361 -0.337) 0.904 3.150 ( -1.373 0.064 0.256) 1.399 3.807 ( 1.357 -0.021 1.624) 2.116 3.995 ( 2.237 0.121 -3.580) 4.223 4.248 ( -0.608 -0.050 0.849) 1.046 4.321 ( -3.160 -0.159 0.171) 3.169 4.416 ( -2.114 -0.171 0.729) 2.242 4.496 ( 2.402 0.079 4.223) 4.859 4.639 ( -4.829 -0.096 -6.092) 7.774 4.746 ( 2.069 0.024 -2.523) 3.263 5.013 ( -3.187 0.043 1.973) 3.749 5.023 ( 0.867 -0.013 5.238) 5.310 5.032 ( -1.663 -0.163 0.587) 1.771 5.317 ( 3.237 -0.073 5.463) 6.351 5.328 ( -0.495 -0.051 -3.929) 3.960 5.569 ( -4.928 -0.134 1.952) 5.302 5.711 ( 8.198 0.283 -1.268) 8.301 5.822 ( -0.418 -0.418 -3.640) 3.688 6.779 ( 0.693 0.054 2.914) 2.996 6.959 ( -0.404 -0.173 -1.709) 1.765 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.524 0.000 1.573) 1.658 1.137 ( 2.917 0.770 -1.082) 3.205 1.339 ( -5.516 -4.581 4.230) 8.325 1.545 ( -3.020 -3.608 0.697) 4.756 1.613 ( -1.059 -1.593 -0.990) 2.154 1.636 ( -4.304 -1.236 0.275) 4.486 1.884 ( -7.864 -0.129 6.400) 10.140 1.925 ( -2.840 0.108 2.656) 3.890 2.046 ( 0.200 0.951 -2.036) 2.256 2.128 ( 0.094 1.636 1.814) 2.445 2.224 ( -2.813 2.307 1.201) 3.832 2.280 ( -1.884 1.800 -0.348) 2.629 2.563 ( 2.200 -0.294 -5.290) 5.737 2.777 ( -1.328 0.331 -5.790) 5.950 2.835 ( -9.410 0.604 4.696) 10.534 3.021 ( -8.983 -0.313 -0.415) 8.998 3.131 ( 0.730 1.272 -0.721) 1.634 3.155 ( -0.087 0.225 -2.186) 2.200 3.859 ( 4.021 0.003 1.794) 4.403 4.072 ( 5.907 0.385 -4.270) 7.299 4.229 ( -1.425 -0.108 0.757) 1.618 4.245 ( -4.118 -0.213 1.488) 4.384 4.376 ( -2.356 -0.538 -0.765) 2.535 4.526 ( -1.146 0.082 1.843) 2.172 4.532 ( -4.299 -0.130 -3.009) 5.249 4.767 ( 0.059 -0.109 -1.917) 1.921 4.936 ( -3.718 -0.137 2.218) 4.331 4.974 ( -3.655 -0.260 -0.459) 3.693 5.060 ( 1.921 -0.204 4.553) 4.946 5.314 ( -1.087 -0.128 -4.076) 4.220 5.403 ( 4.893 -0.465 4.683) 6.789 5.504 ( -2.140 -0.174 4.152) 4.675 5.822 ( 0.890 -0.936 -2.205) 2.556 5.889 ( 9.607 0.094 -3.107) 10.097 6.802 ( 1.782 0.225 2.516) 3.091 6.954 ( -0.294 -0.644 -1.292) 1.473 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.958 -0.457 1.655) 1.966 1.164 ( -0.226 0.287 -1.376) 1.423 1.193 ( -11.253 -3.754 3.949) 12.502 1.493 ( -7.377 -3.300 0.247) 8.085 1.586 ( 0.124 -4.406 0.219) 4.413 1.626 ( -0.105 -3.240 0.777) 3.334 1.721 ( -8.449 -0.683 2.984) 8.987 1.862 ( -3.198 1.183 4.029) 5.278 2.012 ( -3.195 3.537 -1.879) 5.124 2.076 ( -4.042 2.441 -1.338) 4.908 2.168 ( -2.295 1.647 1.926) 3.419 2.236 ( -2.092 -0.088 0.350) 2.123 2.517 ( -10.662 2.266 0.847) 10.933 2.687 ( -1.240 0.412 1.517) 2.002 2.740 ( -2.498 0.741 -2.634) 3.705 2.806 ( -13.070 -0.407 -0.462) 13.084 3.079 ( -5.628 0.566 -0.684) 5.697 3.150 ( -0.726 1.007 -4.826) 4.983 3.944 ( 4.179 0.198 2.094) 4.679 4.173 ( -2.812 0.011 1.514) 3.193 4.201 ( 4.883 0.634 -4.816) 6.888 4.204 ( -0.078 0.043 0.025) 0.092 4.331 ( -2.105 -0.476 -1.457) 2.604 4.430 ( -4.300 -0.035 -6.075) 7.443 4.519 ( -0.849 0.019 5.328) 5.396 4.751 ( -1.835 -0.685 -2.265) 2.994 4.896 ( -0.507 -0.114 3.496) 3.535 4.918 ( -1.970 -0.366 0.199) 2.013 5.086 ( 0.551 -0.437 2.444) 2.543 5.286 ( -2.063 -0.195 -3.926) 4.439 5.473 ( -0.216 -0.537 4.952) 4.985 5.497 ( 3.031 -1.716 4.368) 5.587 5.848 ( 1.310 -1.906 -0.147) 2.317 6.082 ( 10.675 0.768 -4.521) 11.619 6.843 ( 2.712 0.429 2.231) 3.538 6.955 ( -0.062 -1.151 -0.436) 1.232 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -11.244 -1.994 2.344) 11.657 1.004 ( -5.705 2.323 3.565) 7.117 1.143 ( -1.860 -1.915 -1.665) 3.146 1.321 ( -10.621 -0.475 3.635) 11.236 1.563 ( -6.130 -0.584 0.776) 6.207 1.616 ( -2.160 -8.299 1.891) 8.781 1.655 ( -1.427 -4.006 -0.195) 4.257 1.801 ( -3.370 3.171 1.889) 4.998 1.867 ( -9.036 5.208 2.390) 10.700 1.979 ( -5.768 -0.365 -3.864) 6.952 2.104 ( -4.190 0.548 1.113) 4.369 2.195 ( -2.652 -0.947 1.275) 3.091 2.265 ( -9.840 4.726 1.774) 11.059 2.564 ( -10.884 -0.216 -1.797) 11.033 2.675 ( -4.563 0.841 0.286) 4.649 2.711 ( 1.798 -0.385 1.069) 2.127 2.921 ( -10.490 0.143 -0.617) 10.509 3.120 ( -1.062 1.585 -6.664) 6.932 3.968 ( -2.071 0.431 1.844) 2.807 4.094 ( -5.495 0.371 0.922) 5.584 4.189 ( -5.686 1.008 -3.630) 6.821 4.225 ( 2.810 0.092 1.008) 2.986 4.354 ( 1.448 -0.316 -2.777) 3.148 4.376 ( -1.218 -0.118 -7.468) 7.567 4.549 ( 5.565 0.467 3.980) 6.858 4.714 ( -2.387 -2.034 -1.897) 3.665 4.907 ( 1.329 0.001 3.759) 3.987 4.908 ( 0.583 -0.224 1.452) 1.581 5.089 ( -0.163 -0.105 0.884) 0.905 5.232 ( -3.818 -0.354 -3.186) 4.985 5.468 ( -0.250 -0.743 5.210) 5.269 5.556 ( 0.659 -5.347 3.273) 6.303 5.892 ( 2.446 -1.603 2.648) 3.945 6.279 ( 10.529 1.527 -6.387) 12.409 6.898 ( 3.259 0.382 2.562) 4.163 6.966 ( 0.633 -1.322 0.808) 1.674 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -11.046 3.949 4.520) 12.571 0.850 ( -9.637 4.002 5.433) 11.765 1.094 ( -7.500 -1.084 -1.007) 7.645 1.179 ( -0.919 -1.824 1.891) 2.784 1.451 ( -16.828 0.974 5.463) 17.720 1.462 ( -8.039 1.036 6.756) 10.552 1.599 ( -4.954 1.757 -0.450) 5.275 1.652 ( -3.361 -3.489 -1.014) 4.950 1.806 ( -4.234 -1.563 -4.937) 6.689 1.841 ( -5.953 -0.252 2.276) 6.379 2.022 ( -3.478 -2.329 0.730) 4.249 2.159 ( -0.176 0.470 0.752) 0.904 2.162 ( -0.760 1.518 -0.555) 1.786 2.435 ( -3.022 -0.232 -4.872) 5.738 2.557 ( -7.177 1.096 0.751) 7.299 2.678 ( -10.961 -0.596 -1.999) 11.157 2.770 ( 0.774 0.092 4.823) 4.886 3.117 ( 1.765 1.821 -6.978) 7.425 3.889 ( -5.099 0.422 1.283) 5.275 3.957 ( -8.338 0.427 0.426) 8.360 4.046 ( -8.065 1.026 -2.375) 8.470 4.225 ( -4.614 -0.502 -7.632) 8.932 4.359 ( -0.293 -0.199 0.681) 0.767 4.410 ( 4.739 -0.300 -3.218) 5.736 4.640 ( 0.047 -2.738 1.796) 3.275 4.730 ( 5.341 -0.097 -0.673) 5.384 4.927 ( 0.920 0.196 3.242) 3.376 4.939 ( 2.038 0.181 1.843) 2.753 5.087 ( -0.156 0.343 -0.554) 0.670 5.151 ( -4.392 -0.464 -1.705) 4.734 5.466 ( -1.105 -2.498 4.238) 5.042 5.568 ( -2.987 -9.219 4.252) 10.583 5.953 ( 3.257 -0.305 4.813) 5.819 6.455 ( 8.705 2.405 -9.243) 12.922 6.962 ( 3.539 -0.604 4.455) 5.722 6.994 ( 1.818 -0.460 1.849) 2.634 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -4.621 10.969 6.686) 13.652 0.635 ( -9.073 6.569 12.010) 16.423 0.926 ( -11.038 5.012 -0.296) 12.126 1.062 ( -13.537 3.355 15.590) 20.917 1.227 ( 2.541 -1.655 -2.946) 4.227 1.364 ( -4.603 -0.927 -0.444) 4.716 1.520 ( -2.180 2.236 1.182) 3.339 1.596 ( -4.407 -3.773 -0.544) 5.827 1.621 ( -9.782 -1.593 -0.876) 9.949 1.842 ( 0.928 -0.662 2.198) 2.476 2.025 ( 1.788 -4.889 -0.540) 5.233 2.175 ( 2.185 -0.230 -0.653) 2.292 2.191 ( 2.940 0.683 -2.592) 3.978 2.407 ( -4.460 0.781 -4.422) 6.329 2.424 ( -1.851 0.354 -2.865) 3.429 2.467 ( -9.836 -0.387 -1.584) 9.970 2.827 ( 4.837 -0.467 6.933) 8.467 3.160 ( 3.159 1.639 -6.538) 7.444 3.799 ( -3.750 0.231 0.777) 3.837 3.805 ( -6.557 0.226 0.283) 6.567 3.900 ( -6.262 0.259 -1.232) 6.388 4.041 ( -16.104 -2.351 -12.360) 20.436 4.356 ( -0.043 0.102 1.431) 1.435 4.509 ( 4.548 -0.102 -2.627) 5.254 4.645 ( 0.033 -4.716 6.656) 8.158 4.825 ( 3.411 0.422 -0.189) 3.443 4.927 ( -1.240 0.049 1.230) 1.747 4.976 ( 1.864 0.788 1.265) 2.387 5.042 ( -3.967 -1.337 -0.479) 4.213 5.119 ( 0.573 0.905 -0.795) 1.334 5.430 ( -5.871 -9.942 6.741) 13.370 5.555 ( -1.851 -6.187 6.468) 9.140 6.008 ( 2.361 0.548 5.623) 6.123 6.573 ( 4.942 2.947 -12.603) 13.854 7.020 ( 1.560 -0.014 3.999) 4.292 7.056 ( 4.790 -1.874 5.222) 7.330 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -0.000 15.127 6.066) 16.298 0.489 ( -0.000 9.839 14.782) 17.757 0.701 ( -0.000 7.901 19.655) 21.183 0.960 ( -0.000 0.824 4.338) 4.416 1.249 ( -0.000 2.031 -8.378) 8.621 1.347 ( 0.000 -5.335 -0.160) 5.337 1.495 ( -0.000 2.126 2.352) 3.170 1.511 ( 0.000 -1.050 2.241) 2.475 1.565 ( 0.000 -2.856 -0.122) 2.859 1.858 ( 0.000 -1.095 3.152) 3.336 2.090 ( 0.000 -4.543 -3.438) 5.697 2.218 ( 0.000 -0.960 1.471) 1.757 2.227 ( -0.000 1.046 -3.830) 3.970 2.335 ( -0.000 2.022 -5.513) 5.872 2.347 ( -0.000 0.108 -1.693) 1.696 2.426 ( -0.000 0.241 -5.586) 5.591 2.937 ( 0.000 -3.447 3.898) 5.204 3.194 ( -0.000 1.499 -6.534) 6.703 3.737 ( -0.000 0.125 0.182) 0.221 3.747 ( -0.000 0.146 -0.217) 0.261 3.771 ( -0.000 0.147 1.158) 1.168 3.840 ( -0.000 0.138 -0.694) 0.708 4.355 ( -0.000 0.192 1.489) 1.501 4.553 ( -0.000 0.161 -5.648) 5.650 4.694 ( 0.000 -6.621 11.332) 13.125 4.852 ( -0.000 0.090 0.453) 0.461 4.893 ( -0.000 0.079 -0.563) 0.568 4.990 ( -0.000 0.942 1.754) 1.991 5.009 ( 0.000 -2.135 0.367) 2.166 5.122 ( -0.000 1.118 -0.804) 1.377 5.408 ( 0.000 -12.912 11.961) 17.601 5.561 ( 0.000 -4.620 7.313) 8.650 6.029 ( -0.000 0.625 5.677) 5.711 6.606 ( -0.000 3.485 -14.181) 14.603 7.033 ( -0.000 0.593 4.095) 4.138 7.142 ( 0.000 -5.555 4.797) 7.340 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.965 -0.000 0.501) 1.088 1.075 ( -1.771 0.000 -0.537) 1.851 1.487 ( -5.383 0.000 3.014) 6.170 1.617 ( -3.208 0.000 -0.095) 3.210 1.714 ( 0.019 -0.000 3.741) 3.741 1.730 ( -0.208 0.000 -0.166) 0.266 1.970 ( 0.533 -0.000 0.514) 0.740 1.997 ( 1.326 -0.000 -1.081) 1.711 1.999 ( 2.798 -0.000 6.988) 7.527 2.094 ( 1.265 -0.000 3.051) 3.303 2.214 ( 4.389 -0.000 1.331) 4.586 2.251 ( 4.880 -0.000 -0.138) 4.882 2.527 ( -1.896 0.000 -6.984) 7.237 2.790 ( 0.799 -0.000 -6.895) 6.941 3.016 ( 6.899 -0.000 3.931) 7.940 3.054 ( -2.104 0.000 0.396) 2.141 3.115 ( -1.198 0.000 -2.825) 3.069 3.146 ( 2.988 -0.000 0.036) 2.988 3.808 ( -1.424 0.000 1.647) 2.177 3.988 ( -1.541 0.000 -3.248) 3.595 4.250 ( 0.357 -0.000 0.889) 0.958 4.330 ( 2.587 -0.000 0.322) 2.607 4.425 ( 1.208 -0.000 0.552) 1.329 4.493 ( -2.357 0.000 4.019) 4.659 4.643 ( 4.672 -0.000 -5.952) 7.566 4.744 ( -2.193 0.000 -2.607) 3.407 5.013 ( 1.932 -0.000 4.708) 5.089 5.029 ( -0.331 0.000 3.363) 3.379 5.033 ( 1.585 -0.000 -0.313) 1.616 5.320 ( -3.705 0.000 5.553) 6.675 5.331 ( 0.271 -0.000 -3.805) 3.815 5.576 ( 5.077 -0.000 1.899) 5.421 5.698 ( -7.763 0.000 -1.051) 7.834 5.843 ( -1.756 0.000 -4.250) 4.598 6.776 ( -0.427 0.000 3.239) 3.267 6.968 ( -0.531 0.000 -1.740) 1.819 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.999 0.302 0.585) 1.197 1.077 ( 3.303 -0.235 -0.205) 3.318 1.392 ( -4.348 0.164 3.924) 5.859 1.563 ( -2.749 -1.213 0.157) 3.009 1.673 ( -4.493 0.526 -0.359) 4.538 1.690 ( -2.708 -0.665 1.780) 3.308 1.957 ( -1.418 -0.074 1.322) 1.940 2.000 ( -3.169 0.048 7.866) 8.480 2.029 ( 1.831 -0.033 -1.319) 2.257 2.114 ( 1.300 -0.008 3.537) 3.768 2.277 ( 1.044 0.592 0.552) 1.321 2.309 ( 1.123 0.335 -0.403) 1.240 2.520 ( 1.243 -0.052 -7.487) 7.590 2.794 ( -0.263 0.022 -7.403) 7.408 2.969 ( -5.136 -0.104 3.616) 6.282 3.104 ( 0.144 0.445 -2.556) 2.598 3.128 ( 2.756 -0.192 0.512) 2.810 3.150 ( -1.891 -0.025 0.504) 1.958 3.807 ( 1.349 -0.008 1.621) 2.109 3.996 ( 2.321 0.042 -3.624) 4.304 4.247 ( -0.640 -0.018 0.843) 1.058 4.320 ( -3.236 -0.056 0.160) 3.240 4.415 ( -2.235 -0.061 0.745) 2.357 4.496 ( 2.411 0.030 4.245) 4.882 4.638 ( -4.845 -0.035 -6.111) 7.799 4.746 ( 2.055 0.007 -2.513) 3.247 5.014 ( -3.402 0.012 1.382) 3.672 5.024 ( 1.200 0.028 6.538) 6.647 5.030 ( -1.890 -0.088 -0.111) 1.895 5.316 ( 3.180 -0.027 5.460) 6.319 5.328 ( -0.529 -0.019 -3.955) 3.991 5.568 ( -4.905 -0.048 1.963) 5.283 5.713 ( 8.307 0.107 -1.305) 8.410 5.819 ( -0.753 -0.153 -3.557) 3.639 6.779 ( 0.736 0.020 2.872) 2.965 6.958 ( -0.529 -0.063 -1.705) 1.786 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.692 0.014 1.760) 1.891 1.144 ( 3.138 0.483 -1.028) 3.337 1.304 ( -6.404 -2.520 4.505) 8.225 1.517 ( -3.085 -2.009 0.779) 3.763 1.601 ( -2.209 -0.805 -1.044) 2.573 1.627 ( -4.070 -0.735 -0.590) 4.178 1.883 ( -7.857 -0.089 6.840) 10.418 1.926 ( -2.665 0.076 2.965) 3.987 2.053 ( 0.562 0.474 -2.142) 2.265 2.140 ( 1.088 0.773 2.163) 2.542 2.244 ( -3.269 1.638 0.760) 3.734 2.292 ( -2.322 0.657 -0.323) 2.435 2.561 ( 2.267 -0.166 -5.499) 5.951 2.780 ( -1.213 0.179 -5.986) 6.110 2.839 ( -8.709 0.361 4.662) 9.885 3.018 ( -8.963 -0.182 -0.413) 8.974 3.142 ( 0.425 1.045 -0.910) 1.449 3.155 ( 0.155 -0.194 -1.836) 1.852 3.859 ( 4.061 0.001 1.792) 4.439 4.075 ( 5.979 0.212 -4.409) 7.432 4.228 ( -1.402 -0.058 0.742) 1.587 4.244 ( -4.068 -0.124 1.453) 4.321 4.372 ( -2.404 -0.305 -0.672) 2.515 4.527 ( -1.042 0.125 2.057) 2.309 4.530 ( -4.409 -0.147 -3.209) 5.455 4.766 ( -0.043 -0.064 -1.946) 1.948 4.935 ( -3.729 -0.060 2.169) 4.315 4.972 ( -3.709 -0.165 -0.513) 3.748 5.058 ( 1.803 -0.120 4.748) 5.080 5.313 ( -1.104 -0.074 -4.104) 4.250 5.399 ( 4.638 -0.268 4.635) 6.562 5.503 ( -2.197 -0.102 4.086) 4.640 5.815 ( 0.295 -0.512 -1.977) 2.064 5.890 ( 10.009 0.048 -3.039) 10.461 6.804 ( 1.867 0.143 2.336) 2.994 6.949 ( -0.478 -0.377 -1.263) 1.402 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.395 -0.475 1.651) 2.213 1.158 ( -7.295 -1.593 3.682) 8.326 1.172 ( -2.612 -0.307 -0.528) 2.683 1.457 ( -5.899 -3.638 -0.159) 6.932 1.559 ( -2.428 -1.497 0.417) 2.883 1.597 ( -0.186 -2.530 -0.285) 2.553 1.716 ( -8.891 -0.332 4.079) 9.788 1.872 ( -2.685 0.704 4.789) 5.535 2.038 ( -1.899 1.708 -3.395) 4.248 2.103 ( -4.939 2.821 -0.564) 5.716 2.181 ( -2.193 1.091 2.242) 3.320 2.232 ( -3.470 -0.782 0.057) 3.558 2.536 ( -8.559 1.472 -0.069) 8.685 2.691 ( -2.378 0.443 1.970) 3.120 2.746 ( -2.298 0.450 -2.946) 3.763 2.803 ( -13.161 -0.275 -0.255) 13.167 3.084 ( -5.864 0.410 -0.598) 5.909 3.158 ( -0.504 0.714 -4.725) 4.805 3.946 ( 4.294 0.137 2.131) 4.795 4.173 ( -2.725 0.008 1.538) 3.129 4.203 ( -0.640 -0.027 0.812) 1.034 4.208 ( 5.748 0.518 -5.785) 8.171 4.327 ( -1.983 -0.338 -1.417) 2.461 4.430 ( -4.287 -0.027 -6.066) 7.429 4.519 ( -0.760 0.043 5.363) 5.416 4.745 ( -2.302 -0.533 -2.287) 3.288 4.895 ( -0.435 -0.033 3.546) 3.573 4.915 ( -1.973 -0.287 0.096) 1.996 5.082 ( 0.535 -0.353 2.730) 2.804 5.284 ( -2.108 -0.150 -3.911) 4.445 5.468 ( 0.509 -0.422 4.455) 4.504 5.483 ( 1.184 -1.253 4.603) 4.915 5.833 ( 1.323 -1.168 0.570) 1.854 6.088 ( 10.887 0.460 -4.535) 11.803 6.847 ( 2.835 0.406 1.846) 3.407 6.945 ( -0.270 -0.906 -0.342) 1.005 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -8.606 -0.634 1.544) 8.766 1.030 ( -4.062 3.016 4.059) 6.486 1.125 ( -3.306 -1.713 -1.587) 4.048 1.312 ( -9.934 -1.390 3.961) 10.784 1.536 ( -3.321 -7.265 2.426) 8.348 1.560 ( -5.694 -0.182 1.799) 5.974 1.619 ( -1.293 -3.397 -1.002) 3.770 1.826 ( -1.629 2.033 2.644) 3.712 1.923 ( -10.098 5.651 1.409) 11.657 1.977 ( -6.014 0.042 -4.518) 7.522 2.105 ( -5.698 -0.285 1.136) 5.817 2.185 ( -2.419 -1.184 1.744) 3.209 2.306 ( -10.183 3.526 1.502) 10.880 2.562 ( -10.880 -0.199 -1.643) 11.005 2.683 ( -4.345 0.677 -0.028) 4.398 2.707 ( 1.571 -0.395 0.951) 1.878 2.922 ( -10.603 0.162 -0.355) 10.610 3.134 ( -0.893 1.250 -6.498) 6.677 3.972 ( -2.022 0.353 1.951) 2.832 4.097 ( -5.388 0.285 1.100) 5.507 4.198 ( -5.404 0.977 -3.795) 6.675 4.226 ( 2.858 0.064 1.006) 3.030 4.351 ( 1.405 -0.205 -2.673) 3.026 4.375 ( -1.387 -0.153 -7.510) 7.639 4.555 ( 5.887 0.686 3.710) 6.992 4.693 ( -3.284 -2.134 -1.488) 4.190 4.905 ( 0.834 -0.223 0.640) 1.075 4.908 ( 1.294 0.065 4.667) 4.843 5.088 ( 0.174 -0.106 1.016) 1.036 5.229 ( -3.969 -0.368 -3.080) 5.037 5.461 ( -0.674 -0.655 4.758) 4.850 5.508 ( -1.143 -4.437 3.885) 6.007 5.880 ( 3.100 -0.901 3.565) 4.809 6.292 ( 10.810 1.052 -6.500) 12.658 6.903 ( 3.158 0.627 2.000) 3.790 6.953 ( 0.697 -1.364 0.946) 1.800 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -6.624 6.324 2.949) 9.621 0.891 ( -8.735 4.395 4.703) 10.850 1.078 ( -5.115 -1.803 -0.488) 5.445 1.163 ( -3.191 -1.484 5.754) 6.745 1.431 ( -12.453 -4.910 4.369) 14.081 1.467 ( -5.968 -0.182 5.032) 7.808 1.597 ( -2.861 -1.680 -0.314) 3.333 1.662 ( -8.638 4.769 -0.434) 9.877 1.798 ( -6.421 -0.106 -5.670) 8.567 1.839 ( -4.760 -0.143 1.866) 5.115 1.996 ( -5.238 -3.019 1.372) 6.199 2.155 ( -0.504 -0.483 1.375) 1.542 2.183 ( -1.706 1.943 -0.554) 2.645 2.432 ( -3.033 -0.204 -5.033) 5.880 2.567 ( -7.125 0.973 0.410) 7.203 2.671 ( -10.713 -0.676 -2.010) 10.921 2.771 ( 0.427 0.106 5.273) 5.292 3.134 ( 1.770 1.630 -6.620) 7.044 3.893 ( -5.155 0.397 1.392) 5.354 3.961 ( -8.404 0.365 0.642) 8.436 4.058 ( -8.182 1.354 -2.761) 8.741 4.218 ( -5.747 -0.858 -7.668) 9.621 4.357 ( -0.123 -0.164 0.651) 0.682 4.407 ( 4.740 -0.356 -2.497) 5.369 4.614 ( -1.815 -2.525 2.487) 3.982 4.729 ( 6.690 -0.191 -0.504) 6.712 4.930 ( 1.062 0.287 3.227) 3.410 4.940 ( 2.271 0.095 1.871) 2.944 5.092 ( -0.171 0.585 -0.695) 0.924 5.145 ( -4.309 -0.727 -1.537) 4.632 5.425 ( -5.618 -6.021 4.900) 9.583 5.504 ( -0.494 -3.696 5.186) 6.387 5.951 ( 3.861 -0.021 5.347) 6.595 6.475 ( 8.840 1.697 -9.578) 13.144 6.957 ( 2.788 -0.511 4.293) 5.144 6.990 ( 2.568 -0.337 1.429) 2.958 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -1.527 12.828 5.068) 13.877 0.699 ( -7.463 6.442 11.934) 15.480 0.960 ( -6.674 1.972 -1.889) 7.211 1.096 ( -13.401 2.476 14.514) 19.910 1.213 ( 1.482 -0.616 2.575) 3.034 1.364 ( -5.033 0.948 -1.350) 5.296 1.539 ( -2.496 1.400 0.502) 2.905 1.557 ( -4.427 -3.780 -0.714) 5.865 1.607 ( -9.429 -0.989 -1.035) 9.538 1.830 ( 0.195 -1.863 -0.412) 1.918 1.978 ( 1.371 -4.583 0.441) 4.804 2.172 ( 1.827 -0.465 0.161) 1.892 2.195 ( 2.561 0.053 -3.161) 4.068 2.412 ( -1.614 0.228 -6.311) 6.518 2.429 ( -4.643 0.578 -1.514) 4.918 2.463 ( -9.619 -0.427 -1.597) 9.760 2.821 ( 4.061 -0.561 7.445) 8.499 3.176 ( 3.004 1.594 -5.996) 6.893 3.801 ( -3.858 0.247 0.813) 3.950 3.807 ( -6.643 0.234 0.348) 6.656 3.904 ( -6.773 0.489 -1.418) 6.937 4.015 ( -16.273 -2.823 -9.745) 19.177 4.357 ( 0.085 0.133 1.450) 1.459 4.507 ( 4.763 -0.237 -1.394) 4.969 4.602 ( -0.590 -3.805 6.840) 7.849 4.829 ( 3.210 0.267 -0.152) 3.224 4.928 ( -1.426 0.163 1.047) 1.776 4.984 ( 2.139 0.787 1.186) 2.569 5.032 ( -4.303 -0.706 -0.108) 4.362 5.127 ( 0.825 0.573 -0.985) 1.407 5.327 ( -7.442 -9.880 9.831) 15.800 5.521 ( 0.495 -1.968 4.911) 5.314 6.014 ( 2.561 0.577 5.891) 6.449 6.596 ( 4.665 1.803 -12.846) 13.786 7.017 ( 2.553 -0.577 4.971) 5.618 7.044 ( 3.194 -0.622 3.255) 4.603 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.000 11.812 9.745) 15.313 0.591 ( -0.000 10.819 12.029) 16.179 0.793 ( -0.000 10.456 9.199) 13.926 0.971 ( -0.000 1.567 8.995) 9.130 1.273 ( -0.000 2.752 -7.421) 7.914 1.294 ( 0.000 -5.130 1.950) 5.488 1.498 ( 0.000 -1.574 1.392) 2.102 1.516 ( -0.000 2.257 2.126) 3.101 1.532 ( 0.000 -3.897 -0.040) 3.897 1.844 ( 0.000 -2.058 0.199) 2.067 2.039 ( 0.000 -5.497 -1.131) 5.612 2.207 ( 0.000 -1.141 1.665) 2.018 2.234 ( -0.000 0.098 -6.408) 6.409 2.348 ( -0.000 0.105 -1.800) 1.803 2.351 ( -0.000 1.330 -5.372) 5.534 2.427 ( 0.000 -0.113 -5.883) 5.884 2.904 ( 0.000 -3.178 6.403) 7.149 3.207 ( -0.000 1.267 -5.802) 5.939 3.739 ( -0.000 0.152 0.170) 0.228 3.749 ( -0.000 0.173 -0.236) 0.293 3.773 ( -0.000 0.179 1.139) 1.153 3.841 ( -0.000 0.165 -0.712) 0.730 4.357 ( -0.000 0.251 1.537) 1.558 4.555 ( -0.000 0.294 -5.864) 5.871 4.631 ( 0.000 -5.824 13.550) 14.748 4.853 ( -0.000 0.109 0.448) 0.461 4.894 ( -0.000 0.094 -0.564) 0.572 4.992 ( 0.000 -0.923 1.840) 2.058 5.001 ( -0.000 0.902 1.195) 1.498 5.133 ( -0.000 0.980 -0.962) 1.374 5.294 ( 0.000 -9.785 12.759) 16.079 5.535 ( 0.000 -1.735 5.043) 5.333 6.035 ( -0.000 0.731 5.904) 5.949 6.632 ( -0.000 1.889 -14.229) 14.354 7.039 ( -0.000 0.620 3.526) 3.580 7.099 ( 0.000 -3.316 5.041) 6.034 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.747 0.000 1.832) 1.978 1.146 ( 3.236 -0.000 -1.002) 3.387 1.292 ( -6.777 0.000 4.601) 8.191 1.507 ( -3.066 0.000 0.809) 3.171 1.597 ( -2.666 0.000 -1.042) 2.863 1.623 ( -3.943 0.000 -0.918) 4.048 1.882 ( -7.846 0.000 6.984) 10.504 1.926 ( -2.612 0.000 3.069) 4.030 2.056 ( 0.676 -0.000 -2.168) 2.270 2.143 ( 1.429 -0.000 2.266) 2.679 2.252 ( -3.418 0.000 0.576) 3.466 2.295 ( -2.485 0.000 -0.254) 2.498 2.560 ( 2.295 -0.000 -5.579) 6.032 2.781 ( -1.171 0.000 -6.058) 6.170 2.841 ( -8.464 0.000 4.645) 9.654 3.018 ( -8.954 0.000 -0.413) 8.964 3.150 ( -0.891 0.000 -0.150) 0.903 3.151 ( 1.456 -0.000 -2.537) 2.925 3.859 ( 4.075 -0.000 1.792) 4.452 4.076 ( 6.006 -0.000 -4.459) 7.480 4.228 ( -1.391 0.000 0.736) 1.573 4.243 ( -4.053 0.000 1.441) 4.302 4.371 ( -2.423 0.000 -0.639) 2.505 4.528 ( 0.494 -0.000 4.488) 4.515 4.529 ( -5.947 0.000 -5.634) 8.192 4.766 ( -0.081 0.000 -1.957) 1.958 4.934 ( -3.731 0.000 2.156) 4.309 4.971 ( -3.729 0.000 -0.540) 3.767 5.058 ( 1.758 -0.000 4.822) 5.133 5.312 ( -1.110 0.000 -4.114) 4.261 5.398 ( 4.544 -0.000 4.617) 6.478 5.502 ( -2.220 0.000 4.061) 4.628 5.812 ( 0.106 -0.000 -1.892) 1.895 5.890 ( 10.133 -0.000 -3.018) 10.573 6.804 ( 1.902 -0.000 2.271) 2.962 6.948 ( -0.548 0.000 -1.252) 1.366 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.852 -0.225 1.612) 2.465 1.147 ( -7.494 -0.583 5.231) 9.158 1.172 ( -1.066 0.041 -1.682) 1.992 1.431 ( -5.772 -1.511 -0.156) 5.968 1.552 ( -3.523 -0.172 0.624) 3.582 1.579 ( -0.162 -1.084 -1.145) 1.585 1.714 ( -9.048 -0.101 4.580) 10.141 1.876 ( -2.430 0.232 5.185) 5.731 2.048 ( -1.554 0.475 -3.899) 4.224 2.125 ( -4.934 1.355 -0.614) 5.154 2.189 ( -1.550 0.472 2.548) 3.020 2.224 ( -4.889 -0.639 -0.044) 4.931 2.545 ( -7.323 0.498 -0.606) 7.365 2.695 ( -3.120 0.199 2.270) 3.864 2.749 ( -2.203 0.142 -3.166) 3.860 2.801 ( -13.194 -0.094 -0.114) 13.195 3.086 ( -5.988 0.150 -0.549) 6.015 3.163 ( -0.398 0.257 -4.672) 4.696 3.947 ( 4.358 0.049 2.152) 4.860 4.173 ( -2.675 0.003 1.551) 3.092 4.203 ( -0.744 -0.014 0.923) 1.186 4.212 ( 6.037 0.193 -6.005) 8.517 4.324 ( -1.912 -0.122 -1.396) 2.371 4.429 ( -4.283 -0.010 -6.062) 7.423 4.520 ( -0.689 0.023 5.383) 5.427 4.741 ( -2.601 -0.203 -2.289) 3.471 4.895 ( -0.384 0.002 3.655) 3.675 4.913 ( -1.980 -0.113 -0.062) 1.984 5.079 ( 0.517 -0.137 2.922) 2.970 5.283 ( -2.140 -0.056 -3.903) 4.451 5.465 ( 1.712 -0.194 3.918) 4.280 5.474 ( -0.670 -0.425 4.997) 5.060 5.826 ( 1.369 -0.389 0.946) 1.709 6.091 ( 10.999 0.153 -4.534) 11.897 6.850 ( 2.952 0.175 1.613) 3.368 6.939 ( -0.432 -0.353 -0.268) 0.619 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -6.246 0.033 0.616) 6.276 1.060 ( -2.174 2.945 4.744) 5.993 1.110 ( -4.541 -1.269 -1.600) 4.979 1.294 ( -9.445 -2.046 3.676) 10.339 1.481 ( -5.174 -3.775 4.686) 7.936 1.561 ( -5.170 0.448 0.827) 5.254 1.590 ( -1.562 -2.515 -1.359) 3.258 1.841 ( -1.047 1.037 3.580) 3.872 1.966 ( -10.333 2.061 -0.614) 10.555 1.984 ( -5.291 2.173 -4.355) 7.189 2.098 ( -7.569 -0.987 1.178) 7.723 2.174 ( -1.828 -0.828 2.472) 3.184 2.332 ( -10.493 1.877 1.342) 10.743 2.560 ( -10.851 -0.120 -1.540) 10.960 2.688 ( -4.205 0.450 -0.220) 4.235 2.704 ( 1.393 -0.327 0.841) 1.660 2.924 ( -10.679 0.106 -0.168) 10.681 3.144 ( -0.780 0.682 -6.388) 6.472 3.975 ( -1.986 0.198 2.026) 2.843 4.099 ( -5.320 0.152 1.209) 5.458 4.206 ( -5.112 0.624 -3.903) 6.462 4.226 ( 2.879 0.021 1.006) 3.050 4.350 ( 1.370 -0.085 -2.560) 2.905 4.374 ( -1.537 -0.114 -7.643) 7.797 4.562 ( 6.487 0.630 3.447) 7.373 4.675 ( -4.361 -1.523 -1.042) 4.736 4.904 ( 0.881 -0.120 0.632) 1.091 4.909 ( 1.394 0.042 4.743) 4.944 5.087 ( 0.459 -0.073 1.155) 1.245 5.225 ( -4.112 -0.240 -3.024) 5.110 5.455 ( -2.045 -0.588 4.234) 4.739 5.474 ( -1.167 -2.260 4.555) 5.217 5.874 ( 3.513 -0.394 4.055) 5.380 6.300 ( 10.979 0.532 -6.535) 12.788 6.910 ( 3.270 0.737 1.448) 3.652 6.940 ( 0.571 -1.138 1.216) 1.761 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.557 6.060 0.425) 6.591 0.933 ( -8.442 3.906 3.310) 9.873 1.066 ( -3.701 -0.252 1.699) 4.080 1.148 ( -3.967 -1.858 8.348) 9.428 1.366 ( -10.783 -7.433 6.354) 14.557 1.469 ( -4.070 0.487 1.783) 4.470 1.577 ( -1.956 -2.264 -1.658) 3.421 1.716 ( -11.460 5.370 -0.163) 12.657 1.805 ( -7.467 1.590 -3.972) 8.606 1.838 ( -4.809 -0.119 0.587) 4.846 1.964 ( -6.246 -3.465 1.829) 7.373 2.151 ( -0.348 -0.375 1.919) 1.986 2.199 ( -2.883 1.176 -0.481) 3.150 2.431 ( -3.056 -0.138 -5.135) 5.977 2.575 ( -7.069 0.734 0.211) 7.110 2.665 ( -10.481 -0.594 -2.079) 10.702 2.772 ( 0.071 0.077 5.625) 5.625 3.148 ( 1.777 1.113 -6.342) 6.680 3.897 ( -5.199 0.281 1.484) 5.414 3.964 ( -8.452 0.235 0.792) 8.493 4.072 ( -8.172 1.341 -3.146) 8.859 4.209 ( -7.076 -1.007 -7.661) 10.477 4.355 ( 0.024 -0.102 0.638) 0.646 4.404 ( 4.733 -0.310 -1.741) 5.053 4.593 ( -2.781 -1.741 2.929) 4.399 4.727 ( 7.555 -0.179 -0.324) 7.564 4.933 ( 1.181 0.306 3.481) 3.689 4.941 ( 2.482 -0.018 1.640) 2.975 5.098 ( 0.143 0.739 -0.759) 1.069 5.137 ( -4.506 -0.846 -1.541) 4.836 5.367 ( -7.900 -5.108 6.505) 11.437 5.483 ( 0.846 -1.135 4.534) 4.750 5.952 ( 4.211 0.053 5.652) 7.049 6.488 ( 8.852 0.991 -9.695) 13.166 6.953 ( 2.196 -0.348 4.231) 4.779 6.987 ( 3.223 -0.181 1.094) 3.408 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -5.335 6.778 11.153) 14.100 0.765 ( -1.228 11.170 3.369) 11.731 0.970 ( -4.770 0.412 0.538) 4.818 1.096 ( -8.580 -2.105 10.793) 13.948 1.217 ( -0.547 0.386 7.089) 7.121 1.381 ( -4.694 2.329 -1.412) 5.427 1.519 ( -5.326 -3.267 -1.459) 6.416 1.553 ( -3.958 0.853 -0.600) 4.093 1.606 ( -8.531 0.812 -0.121) 8.570 1.807 ( -1.007 -2.763 -2.319) 3.745 1.938 ( 1.183 -3.632 0.604) 3.867 2.167 ( 1.580 -0.461 0.793) 1.827 2.192 ( 1.753 -0.475 -2.609) 3.179 2.413 ( -0.119 -0.114 -6.830) 6.832 2.435 ( -6.333 0.706 -1.373) 6.519 2.459 ( -9.318 -0.446 -1.630) 9.470 2.816 ( 3.363 -0.533 7.944) 8.643 3.190 ( 2.803 1.236 -5.560) 6.348 3.803 ( -3.961 0.207 0.851) 4.057 3.810 ( -6.713 0.189 0.404) 6.728 3.910 ( -7.455 0.793 -1.683) 7.683 3.988 ( -15.775 -2.759 -7.290) 17.596 4.358 ( 0.206 0.134 1.495) 1.515 4.504 ( 4.830 -0.443 0.994) 4.951 4.573 ( -0.568 -2.120 4.699) 5.187 4.831 ( 3.103 0.151 -0.090) 3.108 4.929 ( -1.628 0.200 0.952) 1.896 4.991 ( 2.396 0.658 0.980) 2.671 5.029 ( -4.225 0.024 -0.281) 4.235 5.130 ( 0.883 -0.054 -1.103) 1.414 5.246 ( -6.472 -6.605 10.965) 14.344 5.507 ( 0.889 -1.035 4.142) 4.361 6.019 ( 2.706 0.463 6.107) 6.696 6.610 ( 4.335 0.992 -12.707) 13.463 7.010 ( 3.133 -0.727 5.752) 6.590 7.042 ( 2.437 0.101 1.775) 3.016 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.000 8.603 14.546) 16.900 0.693 ( -0.000 9.907 10.123) 14.165 0.885 ( -0.000 7.320 -2.494) 7.733 0.993 ( -0.000 2.825 14.245) 14.522 1.256 ( 0.000 -2.128 4.643) 5.108 1.302 ( -0.000 3.158 -6.203) 6.960 1.479 ( 0.000 -2.642 0.195) 2.649 1.492 ( 0.000 -3.739 0.107) 3.741 1.539 ( -0.000 2.334 1.582) 2.820 1.817 ( 0.000 -3.445 -2.591) 4.310 1.988 ( 0.000 -4.773 -0.098) 4.774 2.196 ( 0.000 -1.063 1.873) 2.154 2.228 ( 0.000 -1.223 -6.015) 6.138 2.349 ( -0.000 0.079 -1.909) 1.911 2.362 ( -0.000 0.990 -4.787) 4.888 2.424 ( 0.000 -0.451 -6.191) 6.208 2.877 ( 0.000 -2.460 8.207) 8.568 3.218 ( -0.000 0.990 -5.272) 5.364 3.740 ( -0.000 0.145 0.156) 0.213 3.750 ( -0.000 0.161 -0.255) 0.301 3.775 ( -0.000 0.170 1.118) 1.131 3.843 ( -0.000 0.154 -0.730) 0.746 4.359 ( -0.000 0.262 1.619) 1.640 4.558 ( -0.000 0.275 -5.085) 5.092 4.584 ( 0.000 -3.661 12.334) 12.866 4.854 ( -0.000 0.103 0.443) 0.455 4.895 ( -0.000 0.088 -0.565) 0.572 4.986 ( 0.000 -0.161 1.580) 1.588 5.012 ( -0.000 1.114 1.361) 1.759 5.140 ( -0.000 0.280 -1.256) 1.287 5.216 ( 0.000 -6.447 11.751) 13.403 5.521 ( 0.000 -1.112 4.177) 4.322 6.042 ( -0.000 0.660 6.122) 6.157 6.645 ( -0.000 0.932 -13.714) 13.745 7.044 ( -0.000 0.266 3.833) 3.843 7.075 ( 0.000 -1.526 3.974) 4.257 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -5.320 0.000 0.211) 5.324 1.079 ( -0.092 0.000 5.849) 5.850 1.102 ( -6.000 0.000 -2.353) 6.445 1.282 ( -9.462 0.000 3.320) 10.028 1.463 ( -6.115 0.000 5.634) 8.315 1.567 ( -6.220 0.000 0.902) 6.285 1.574 ( -0.434 0.000 -1.855) 1.905 1.846 ( -0.863 0.000 3.956) 4.049 1.971 ( -9.004 0.000 -3.188) 9.552 2.002 ( -5.984 0.000 -2.852) 6.629 2.091 ( -8.740 0.000 1.471) 8.863 2.170 ( -1.498 0.000 2.823) 3.196 2.342 ( -10.616 0.000 1.290) 10.694 2.559 ( -10.836 0.000 -1.505) 10.940 2.691 ( -4.318 0.000 -0.314) 4.329 2.702 ( 1.488 -0.000 0.827) 1.702 2.924 ( -10.706 0.000 -0.101) 10.706 3.147 ( -0.740 0.000 -6.350) 6.393 3.976 ( -1.973 0.000 2.052) 2.847 4.100 ( -5.297 0.000 1.244) 5.441 4.210 ( -4.997 0.000 -3.950) 6.370 4.226 ( 2.897 -0.000 1.020) 3.072 4.349 ( 1.358 -0.000 -2.506) 2.851 4.373 ( -1.601 0.000 -7.722) 7.886 4.565 ( 6.912 -0.000 3.324) 7.670 4.667 ( -4.976 0.000 -0.833) 5.045 4.903 ( 0.900 -0.000 0.631) 1.100 4.909 ( 1.425 -0.000 4.768) 4.977 5.086 ( 0.573 -0.000 1.217) 1.346 5.224 ( -4.171 0.000 -3.009) 5.143 5.451 ( -3.764 0.000 3.912) 5.429 5.464 ( 0.085 -0.000 4.928) 4.928 5.872 ( 3.650 -0.000 4.208) 5.571 6.302 ( 11.035 -0.000 -6.542) 12.828 6.915 ( 3.708 -0.000 1.042) 3.851 6.933 ( 0.131 -0.000 1.524) 1.530 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.027 2.509 -1.820) 3.099 0.959 ( -8.430 1.249 0.890) 8.568 1.082 ( -4.019 3.533 5.993) 8.034 1.123 ( -2.101 -3.460 8.017) 8.981 1.306 ( -11.539 -3.738 7.990) 14.524 1.474 ( -3.729 0.405 1.362) 3.990 1.559 ( -1.627 -1.167 -2.916) 3.537 1.753 ( -12.176 1.964 -1.280) 12.400 1.823 ( -4.238 1.361 -1.320) 4.643 1.839 ( -8.994 0.465 -1.120) 9.075 1.933 ( -6.238 -2.309 2.374) 7.062 2.148 ( -0.252 -0.140 2.231) 2.249 2.206 ( -3.553 0.385 -0.410) 3.597 2.430 ( -3.073 -0.049 -5.181) 6.024 2.581 ( -7.019 0.291 0.149) 7.027 2.661 ( -10.349 -0.251 -2.160) 10.576 2.772 ( -0.156 0.027 5.812) 5.814 3.155 ( 1.783 0.394 -6.191) 6.455 3.898 ( -5.222 0.102 1.537) 5.445 3.965 ( -8.478 0.080 0.862) 8.522 4.082 ( -8.041 0.615 -3.403) 8.753 4.201 ( -8.088 -0.502 -7.615) 11.120 4.355 ( 0.109 -0.034 0.634) 0.645 4.401 ( 4.726 -0.126 -1.234) 4.886 4.581 ( -3.103 -0.613 3.093) 4.424 4.725 ( 7.986 -0.073 -0.204) 7.989 4.935 ( 1.115 0.173 4.174) 4.324 4.940 ( 2.743 -0.066 0.961) 2.908 5.105 ( 1.035 0.469 -0.681) 1.325 5.130 ( -5.301 -0.506 -1.706) 5.591 5.333 ( -8.446 -1.827 7.264) 11.289 5.477 ( 1.038 -0.311 4.212) 4.349 5.952 ( 4.374 0.027 5.798) 7.262 6.494 ( 8.836 0.325 -9.723) 13.142 6.950 ( 1.884 -0.124 4.214) 4.618 6.986 ( 3.588 -0.054 0.916) 3.704 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -5.895 3.130 10.998) 12.865 0.875 ( 0.870 9.859 -0.490) 9.909 0.972 ( -4.264 -0.070 3.101) 5.273 1.067 ( -8.724 -3.212 12.536) 15.607 1.208 ( 3.207 -1.909 6.930) 7.871 1.406 ( -3.529 2.518 -0.545) 4.369 1.491 ( -6.804 -2.552 -3.607) 8.112 1.564 ( -6.036 1.383 -0.415) 6.206 1.619 ( -7.981 1.371 1.037) 8.164 1.781 ( -2.056 -2.339 -3.073) 4.376 1.909 ( 1.116 -2.262 -0.210) 2.531 2.163 ( 1.434 -0.284 1.220) 1.904 2.187 ( 0.990 -0.456 -1.705) 2.024 2.411 ( 0.185 -0.141 -6.848) 6.852 2.442 ( -6.883 0.667 -1.578) 7.093 2.454 ( -9.036 -0.475 -1.658) 9.199 2.812 ( 2.888 -0.333 8.290) 8.785 3.200 ( 2.644 0.671 -5.284) 5.946 3.805 ( -4.034 0.118 0.882) 4.131 3.811 ( -6.755 0.103 0.438) 6.770 3.919 ( -8.002 1.044 -1.972) 8.307 3.963 ( -15.099 -2.149 -5.575) 16.238 4.359 ( 0.292 0.086 1.542) 1.572 4.499 ( 4.616 -0.401 3.493) 5.803 4.560 ( -0.105 -0.762 1.912) 2.061 4.832 ( 3.055 0.068 -0.033) 3.056 4.931 ( -1.791 0.138 0.927) 2.022 4.996 ( 2.388 0.335 0.817) 2.546 5.032 ( -3.632 0.534 -1.296) 3.894 5.125 ( 0.020 -0.888 0.184) 0.907 5.200 ( -5.018 -2.897 10.866) 12.314 5.500 ( 0.980 -0.496 3.767) 3.924 6.022 ( 2.797 0.255 6.247) 6.849 6.616 ( 4.101 0.435 -12.531) 13.192 7.005 ( 3.233 -0.406 5.913) 6.752 7.044 ( 2.325 0.155 1.229) 2.635 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.000 5.653 16.862) 17.784 0.778 ( -0.000 7.238 8.994) 11.545 0.932 ( -0.000 3.134 -1.481) 3.466 1.013 ( -0.000 0.371 9.328) 9.336 1.261 ( -0.000 2.911 7.446) 7.995 1.333 ( -0.000 3.168 -4.882) 5.820 1.443 ( 0.000 -4.109 -0.142) 4.112 1.467 ( 0.000 -1.951 -0.788) 2.104 1.561 ( -0.000 2.130 0.985) 2.347 1.781 ( 0.000 -3.670 -3.995) 5.425 1.947 ( 0.000 -3.622 -0.741) 3.697 2.187 ( 0.000 -0.750 2.050) 2.183 2.214 ( 0.000 -1.490 -4.035) 4.301 2.350 ( -0.000 0.046 -1.996) 1.996 2.370 ( -0.000 0.701 -4.226) 4.284 2.419 ( 0.000 -0.462 -6.521) 6.538 2.857 ( 0.000 -1.543 9.244) 9.372 3.226 ( -0.000 0.655 -4.972) 5.015 3.741 ( -0.000 0.103 0.144) 0.178 3.752 ( -0.000 0.113 -0.269) 0.292 3.776 ( -0.000 0.122 1.099) 1.105 3.844 ( -0.000 0.108 -0.745) 0.753 4.362 ( -0.000 0.205 1.708) 1.720 4.552 ( 0.000 -1.620 11.023) 11.142 4.566 ( -0.000 0.004 -4.953) 4.953 4.855 ( -0.000 0.073 0.439) 0.445 4.896 ( -0.000 0.063 -0.566) 0.570 4.987 ( -0.000 0.233 1.368) 1.387 5.023 ( -0.000 1.333 0.487) 1.419 5.130 ( 0.000 -2.715 2.855) 3.940 5.174 ( 0.000 -1.768 7.858) 8.055 5.513 ( 0.000 -0.677 3.721) 3.782 6.048 ( -0.000 0.451 6.285) 6.302 6.651 ( -0.000 0.410 -13.230) 13.236 7.043 ( 0.000 -0.262 5.141) 5.147 7.068 ( 0.000 -0.237 2.132) 2.145 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -5.740 0.000 10.348) 11.834 0.935 ( 4.627 -0.000 -5.690) 7.334 0.968 ( -6.371 0.000 5.270) 8.269 1.046 ( -11.510 0.000 16.811) 20.374 1.195 ( 6.157 -0.000 6.394) 8.876 1.421 ( -2.038 0.000 0.980) 2.262 1.476 ( -8.021 0.000 -5.886) 9.949 1.572 ( -6.852 0.000 -0.020) 6.852 1.627 ( -8.195 0.000 1.561) 8.342 1.768 ( -2.343 0.000 -3.220) 3.983 1.897 ( 1.076 -0.000 -0.786) 1.332 2.162 ( 1.385 -0.000 1.372) 1.950 2.185 ( 0.685 -0.000 -1.282) 1.454 2.410 ( 0.209 -0.000 -6.837) 6.840 2.447 ( -6.429 0.000 -1.699) 6.649 2.451 ( -9.505 0.000 -1.630) 9.644 2.810 ( 2.722 -0.000 8.411) 8.840 3.203 ( 2.585 -0.000 -5.190) 5.798 3.805 ( -4.060 0.000 0.894) 4.158 3.812 ( -6.769 0.000 0.449) 6.783 3.927 ( -7.567 0.000 -1.984) 7.823 3.950 ( -15.438 0.000 -5.081) 16.252 4.360 ( 0.324 -0.000 1.562) 1.595 4.497 ( 4.473 -0.000 4.433) 6.298 4.557 ( 0.154 -0.000 0.799) 0.813 4.832 ( 3.041 -0.000 -0.009) 3.041 4.932 ( -1.855 0.000 0.928) 2.075 4.998 ( 2.265 -0.000 0.777) 2.395 5.035 ( -3.122 0.000 -2.256) 3.852 5.118 ( -0.970 0.000 2.075) 2.291 5.187 ( -3.997 0.000 9.945) 10.718 5.497 ( 0.999 -0.000 3.650) 3.784 6.024 ( 2.828 -0.000 6.295) 6.901 6.618 ( 4.018 -0.000 -12.460) 13.092 7.003 ( 3.245 -0.000 5.938) 6.766 7.044 ( 2.325 -0.000 1.086) 2.566 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 1.969 16.924) 17.039 0.828 ( -0.000 2.731 8.500) 8.928 0.959 ( -0.000 2.417 9.045) 9.362 1.000 ( 0.000 -2.140 -1.069) 2.392 1.293 ( -0.000 2.334 7.967) 8.302 1.361 ( -0.000 2.293 -4.057) 4.660 1.408 ( 0.000 -2.647 0.081) 2.648 1.452 ( 0.000 -0.874 -1.826) 2.025 1.577 ( -0.000 0.988 0.707) 1.215 1.753 ( 0.000 -1.677 -4.312) 4.626 1.921 ( 0.000 -1.528 -1.859) 2.406 2.182 ( 0.000 -0.270 2.152) 2.169 2.203 ( 0.000 -0.637 -2.347) 2.432 2.350 ( -0.000 0.015 -2.044) 2.044 2.375 ( -0.000 0.258 -3.866) 3.874 2.416 ( 0.000 -0.184 -6.785) 6.788 2.847 ( 0.000 -0.526 9.680) 9.695 3.231 ( -0.000 0.232 -4.842) 4.848 3.742 ( -0.000 0.037 0.138) 0.143 3.752 ( -0.000 0.040 -0.277) 0.280 3.777 ( -0.000 0.044 1.087) 1.088 3.845 ( -0.000 0.039 -0.753) 0.754 4.363 ( -0.000 0.079 1.767) 1.768 4.541 ( 0.000 -0.607 12.588) 12.603 4.568 ( -0.000 0.154 -7.320) 7.322 4.855 ( -0.000 0.026 0.437) 0.438 4.896 ( -0.000 0.023 -0.567) 0.567 4.989 ( -0.000 0.141 1.239) 1.247 5.036 ( -0.000 1.063 -2.148) 2.397 5.101 ( 0.000 -2.123 9.629) 9.860 5.169 ( 0.000 -0.048 3.553) 3.554 5.508 ( 0.000 -0.231 3.513) 3.520 6.051 ( -0.000 0.160 6.371) 6.373 6.654 ( -0.000 0.113 -12.960) 12.961 7.041 ( 0.000 -0.163 5.713) 5.715 7.067 ( -0.000 0.039 1.310) 1.311 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 0.000 12.827) 12.827 0.668 ( 0.000 0.000 -10.353) 10.353 0.722 ( 0.000 0.000 17.225) 17.225 1.013 ( 0.000 0.000 -13.686) 13.686 1.197 ( 0.000 0.000 12.893) 12.893 1.342 ( 0.000 0.000 -4.923) 4.923 1.565 ( 0.000 0.000 1.677) 1.677 1.586 ( 0.000 0.000 -0.686) 0.686 1.658 ( 0.000 0.000 19.694) 19.694 1.972 ( 0.000 0.000 5.371) 5.371 2.031 ( 0.000 0.000 -9.813) 9.813 2.099 ( 0.000 0.000 -13.602) 13.602 2.262 ( 0.000 0.000 2.240) 2.240 2.269 ( 0.000 0.000 2.313) 2.313 2.307 ( 0.000 0.000 -2.419) 2.419 2.325 ( 0.000 0.000 -3.833) 3.833 2.991 ( 0.000 0.000 1.287) 1.287 3.045 ( 0.000 0.000 -4.985) 4.985 3.740 ( 0.000 0.000 0.207) 0.207 3.743 ( 0.000 0.000 -0.112) 0.112 3.795 ( 0.000 0.000 1.435) 1.435 3.820 ( 0.000 0.000 -1.224) 1.224 4.393 ( 0.000 0.000 2.875) 2.875 4.460 ( 0.000 0.000 -4.286) 4.286 4.863 ( 0.000 0.000 0.793) 0.793 4.871 ( 0.000 0.000 4.989) 4.989 4.879 ( 0.000 0.000 -0.857) 0.857 4.955 ( 0.000 0.000 -3.773) 3.773 5.044 ( 0.000 0.000 2.041) 2.041 5.082 ( 0.000 0.000 -1.769) 1.769 5.603 ( 0.000 0.000 4.952) 4.952 5.692 ( 0.000 0.000 -4.455) 4.455 6.160 ( 0.000 0.000 9.011) 9.011 6.347 ( 0.000 0.000 -10.557) 10.557 7.122 ( 0.000 0.000 4.690) 4.690 7.196 ( 0.000 0.000 -3.240) 3.240 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 10.501 -1.719 10.112) 14.680 0.719 ( 6.214 -0.805 -2.158) 6.627 0.843 ( 9.665 -1.688 7.180) 12.158 1.059 ( 3.691 -0.816 -11.462) 12.070 1.284 ( 8.012 -0.875 8.090) 11.420 1.374 ( 3.808 -0.169 -3.071) 4.895 1.631 ( 4.252 0.878 1.937) 4.754 1.636 ( 6.681 0.635 -0.156) 6.713 1.691 ( 4.618 -0.071 18.884) 19.440 1.953 ( -1.220 1.336 5.268) 5.570 2.029 ( -0.007 0.612 -6.116) 6.147 2.083 ( -0.653 -0.370 -11.354) 11.379 2.192 ( -3.777 0.068 1.730) 4.154 2.254 ( -0.565 0.133 -6.649) 6.674 2.407 ( 7.836 -0.147 1.024) 7.904 2.437 ( 9.469 0.060 -1.978) 9.673 2.922 ( -5.039 -0.220 3.751) 6.286 3.003 ( -3.780 -0.663 -5.689) 6.862 3.808 ( 6.209 -0.092 0.450) 6.226 3.810 ( 4.536 -0.087 0.532) 4.568 3.879 ( 5.853 0.009 -0.680) 5.893 3.900 ( 10.036 -0.020 -3.984) 10.798 4.391 ( -0.293 0.044 2.447) 2.465 4.445 ( -1.814 0.094 -3.281) 3.750 4.776 ( -4.649 0.419 2.532) 5.310 4.808 ( -4.919 -0.160 -0.896) 5.003 4.950 ( 2.546 0.243 1.086) 2.779 4.970 ( 0.460 -0.034 -0.746) 0.877 5.058 ( 1.834 0.217 0.570) 1.933 5.080 ( -0.147 -0.489 -1.318) 1.414 5.602 ( 0.134 0.850 5.411) 5.479 5.700 ( 1.016 2.123 -4.976) 5.505 6.136 ( -2.504 -0.316 8.913) 9.264 6.320 ( -3.015 -0.645 -10.304) 10.756 7.097 ( -2.299 0.300 3.603) 4.285 7.140 ( -4.771 0.728 -0.649) 4.870 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 14.677 0.336 6.774) 16.168 0.881 ( 9.241 -0.449 1.526) 9.376 1.051 ( 10.717 -1.126 -0.484) 10.787 1.122 ( 2.380 -0.954 -5.813) 6.353 1.451 ( 8.093 -1.322 1.694) 8.374 1.496 ( 7.739 -2.776 -2.287) 8.534 1.705 ( 4.606 1.330 6.263) 7.888 1.771 ( 6.773 3.046 -3.453) 8.190 1.853 ( 10.558 3.320 14.811) 18.490 1.927 ( -0.274 1.452 3.914) 4.184 2.016 ( 0.448 -2.444 -0.812) 2.614 2.128 ( 3.454 -0.274 -2.520) 4.284 2.149 ( 0.370 -1.136 0.697) 1.383 2.272 ( 4.199 0.154 -12.598) 13.280 2.578 ( 8.905 -0.208 2.802) 9.338 2.636 ( 10.399 0.099 -3.104) 10.853 2.848 ( -2.422 -0.538 4.226) 4.901 2.942 ( -2.356 -1.085 -6.503) 7.001 3.911 ( 5.699 -0.331 1.828) 5.994 3.943 ( 7.267 -0.447 -1.158) 7.373 4.016 ( 7.838 -0.076 0.920) 7.892 4.083 ( 8.460 -0.093 -6.211) 10.496 4.373 ( -1.952 0.147 0.398) 1.997 4.380 ( -5.044 0.046 -0.594) 5.079 4.698 ( -4.747 0.608 0.869) 4.864 4.714 ( -2.745 -0.025 -0.815) 2.864 4.957 ( -1.308 0.148 1.168) 1.760 4.967 ( -0.693 -0.058 0.412) 0.809 5.088 ( 1.496 -0.019 0.861) 1.726 5.115 ( 3.342 -0.226 -1.889) 3.846 5.599 ( 0.038 1.194 5.841) 5.962 5.697 ( -0.216 2.956 -4.364) 5.276 6.071 ( -4.444 -0.378 7.963) 9.127 6.239 ( -5.880 -0.952 -9.403) 11.131 7.042 ( -4.493 0.724 1.825) 4.903 7.044 ( -3.141 0.514 1.466) 3.504 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.849 0.016 3.203) 5.812 1.069 ( 9.932 1.412 0.005) 10.032 1.160 ( 5.941 1.222 3.316) 6.913 1.275 ( 11.614 0.639 -6.386) 13.269 1.616 ( 8.684 -2.866 3.337) 9.735 1.661 ( 7.600 -2.943 -1.150) 8.231 1.767 ( 2.056 5.706 1.673) 6.292 1.807 ( -0.553 5.253 -1.945) 5.629 1.910 ( 0.759 -0.626 3.155) 3.305 1.938 ( 1.909 -1.836 -1.011) 2.835 2.134 ( 2.129 -0.686 5.980) 6.384 2.206 ( 2.476 0.202 -1.687) 3.003 2.258 ( 16.326 -3.159 8.334) 18.601 2.464 ( 14.400 -0.622 -9.821) 17.442 2.689 ( 1.729 -0.095 2.106) 2.727 2.723 ( -1.584 0.251 -0.955) 1.867 2.908 ( 8.191 -0.548 0.490) 8.224 2.959 ( 3.870 -1.236 -5.363) 6.728 4.005 ( 3.097 -0.486 3.045) 4.370 4.068 ( 4.975 -0.653 -3.144) 5.922 4.150 ( 5.526 -0.141 1.933) 5.856 4.219 ( 6.107 -0.096 -4.116) 7.365 4.272 ( -5.327 -0.067 0.200) 5.331 4.310 ( -3.906 0.093 -2.680) 4.737 4.627 ( -1.713 0.240 4.177) 4.521 4.696 ( 0.338 0.682 -3.106) 3.198 4.929 ( -1.120 0.190 1.031) 1.535 4.944 ( -1.343 0.071 -0.045) 1.346 5.124 ( 2.008 -0.046 2.649) 3.324 5.178 ( 2.961 -0.034 -2.948) 4.179 5.591 ( -0.255 1.223 5.323) 5.468 5.663 ( -1.917 2.529 -1.761) 3.629 5.977 ( -5.387 -0.092 5.431) 7.650 6.112 ( -7.864 -0.929 -7.895) 11.182 6.960 ( -3.551 0.562 2.850) 4.588 6.992 ( -2.219 0.728 -0.551) 2.400 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.416 -0.045 2.462) 2.497 1.114 ( -0.505 -0.416 -2.559) 2.642 1.372 ( 12.968 4.158 5.617) 14.731 1.484 ( 10.901 2.977 -5.693) 12.653 1.710 ( -2.388 5.117 0.014) 5.647 1.710 ( -3.309 6.720 0.034) 7.491 1.805 ( 9.394 -3.128 3.881) 10.634 1.847 ( 6.215 -3.571 -0.635) 7.196 1.965 ( 3.319 -2.875 2.437) 5.022 1.999 ( 2.909 -2.522 -1.691) 4.205 2.176 ( 2.101 -1.214 4.572) 5.176 2.240 ( 1.301 0.041 -1.173) 1.753 2.551 ( 7.358 -0.502 6.260) 9.674 2.669 ( -1.863 0.267 -4.277) 4.672 2.701 ( 4.431 -0.834 1.211) 4.668 2.755 ( 14.155 -0.712 -4.890) 14.992 3.049 ( 5.258 -0.687 -0.943) 5.386 3.054 ( 4.137 -0.959 -1.814) 4.618 3.996 ( -4.049 -0.284 3.891) 5.623 4.083 ( -4.493 -0.410 -5.315) 6.971 4.209 ( 2.679 -0.045 2.025) 3.358 4.224 ( 0.533 0.029 0.713) 0.891 4.310 ( 3.761 0.272 -1.165) 3.947 4.330 ( 5.727 0.058 -3.821) 6.885 4.622 ( 0.515 0.168 5.302) 5.330 4.708 ( 0.937 0.419 -3.825) 3.961 4.924 ( 0.848 0.344 0.360) 0.984 4.931 ( 0.434 0.186 -0.130) 0.490 5.154 ( 0.942 0.057 3.832) 3.947 5.222 ( 1.704 0.087 -3.461) 3.859 5.578 ( -0.520 1.043 3.984) 4.151 5.604 ( -3.139 1.474 2.013) 4.010 5.876 ( -5.047 0.321 1.560) 5.293 5.959 ( -8.418 -0.729 -6.059) 10.397 6.902 ( -2.358 0.436 3.424) 4.180 6.954 ( -1.438 0.757 -1.985) 2.565 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.681 -0.350 1.815) 1.970 1.094 ( -1.601 -0.650 -1.736) 2.449 1.531 ( 3.289 4.933 5.034) 7.777 1.622 ( 0.009 3.631 -3.944) 5.361 1.640 ( 1.787 3.751 0.704) 4.214 1.656 ( 4.495 2.968 -1.092) 5.496 1.950 ( 3.060 -0.988 1.289) 3.465 1.970 ( 3.942 -2.029 -0.215) 4.439 2.050 ( 5.972 -2.027 4.751) 7.896 2.088 ( 5.070 -3.575 -0.121) 6.205 2.228 ( 2.590 -1.174 3.889) 4.817 2.258 ( 0.653 -0.893 1.386) 1.773 2.512 ( -5.490 0.669 0.321) 5.539 2.623 ( -2.325 0.301 -9.399) 9.687 2.907 ( 10.514 -0.534 4.363) 11.396 2.986 ( 8.992 -0.019 -3.861) 9.786 3.102 ( 0.956 -0.843 0.276) 1.304 3.113 ( 1.343 -1.114 -0.756) 1.902 3.908 ( -4.261 -0.027 3.393) 5.447 3.982 ( -4.877 -0.155 -4.375) 6.554 4.251 ( 1.693 0.190 1.248) 2.112 4.268 ( 3.042 0.283 -0.113) 3.057 4.386 ( 4.165 0.354 1.361) 4.396 4.440 ( 5.833 0.219 -4.092) 7.129 4.621 ( -0.930 -0.038 5.297) 5.378 4.712 ( -0.745 0.073 -4.175) 4.242 4.959 ( 3.034 0.294 0.380) 3.072 4.968 ( 3.215 0.193 -0.628) 3.282 5.159 ( -0.268 0.051 4.980) 4.987 5.242 ( 0.541 0.133 -4.052) 4.090 5.527 ( -3.842 0.697 5.967) 7.131 5.572 ( 0.009 0.575 1.611) 1.711 5.789 ( -4.188 0.363 -2.058) 4.680 5.810 ( -6.978 -0.375 -3.933) 8.019 6.865 ( -1.352 0.289 3.813) 4.056 6.929 ( -0.825 0.572 -2.850) 3.022 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.299 -0.345 1.051) 1.146 1.069 ( -0.984 -0.263 -0.857) 1.331 1.496 ( -1.471 1.982 4.676) 5.288 1.577 ( -1.160 1.335 -3.658) 4.063 1.707 ( 3.153 1.586 1.548) 3.854 1.733 ( 2.573 1.176 -0.823) 2.947 1.976 ( 0.212 -0.203 0.810) 0.861 1.994 ( -0.320 -0.584 -1.094) 1.281 2.176 ( 3.222 -1.117 4.568) 5.700 2.209 ( 6.633 -1.740 4.960) 8.463 2.264 ( 0.957 -0.589 3.312) 3.498 2.283 ( 0.621 -0.202 4.676) 4.722 2.397 ( -5.528 0.380 -3.427) 6.515 2.587 ( -1.149 0.259 -14.115) 14.164 3.040 ( 3.427 0.811 1.762) 3.938 3.062 ( 0.196 -0.118 -0.912) 0.940 3.126 ( 0.412 -1.003 0.774) 1.332 3.143 ( 2.045 -0.465 -0.540) 2.165 3.852 ( -1.511 0.025 3.074) 3.425 3.919 ( -1.689 -0.042 -3.976) 4.321 4.273 ( 0.637 0.117 1.696) 1.815 4.308 ( 1.141 0.212 -1.769) 2.116 4.461 ( 3.414 0.258 3.446) 4.857 4.539 ( 4.089 0.225 -4.786) 6.299 4.586 ( -2.270 -0.161 5.273) 5.743 4.679 ( -2.222 -0.122 -4.404) 4.934 5.020 ( 2.600 0.100 0.199) 2.610 5.025 ( 2.133 0.075 -0.363) 2.165 5.149 ( -0.594 0.011 5.604) 5.635 5.245 ( -0.024 0.068 -4.894) 4.895 5.462 ( -2.209 0.167 8.585) 8.867 5.583 ( 1.400 0.295 -2.769) 3.117 5.685 ( -4.629 -0.256 0.831) 4.710 5.746 ( -1.303 0.205 -4.666) 4.848 6.847 ( -0.444 0.102 4.003) 4.029 6.917 ( -0.277 0.213 -3.240) 3.258 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 15.359 -0.000 6.680) 16.749 0.879 ( 9.374 -0.000 2.168) 9.622 1.045 ( 11.717 -0.000 -0.675) 11.736 1.118 ( 2.290 -0.000 -6.146) 6.559 1.444 ( 8.032 -0.000 1.124) 8.110 1.482 ( 7.345 -0.000 -2.087) 7.636 1.711 ( 4.802 -0.000 7.691) 9.067 1.786 ( 7.406 -0.000 -3.595) 8.232 1.872 ( 11.956 -0.000 15.153) 19.302 1.937 ( 0.903 -0.000 5.195) 5.273 2.000 ( -3.444 0.000 -2.873) 4.485 2.128 ( 5.316 -0.000 -4.699) 7.095 2.142 ( -1.239 0.000 2.335) 2.643 2.273 ( 4.018 -0.000 -12.609) 13.234 2.577 ( 8.945 -0.000 2.914) 9.408 2.636 ( 10.436 -0.000 -3.161) 10.904 2.846 ( -2.405 0.000 4.058) 4.717 2.937 ( -2.309 0.000 -6.426) 6.828 3.909 ( 5.672 -0.000 1.785) 5.946 3.940 ( 7.224 -0.000 -1.168) 7.317 4.016 ( 7.820 -0.000 0.929) 7.875 4.082 ( 8.435 -0.000 -6.229) 10.486 4.374 ( -1.954 0.000 0.390) 1.992 4.381 ( -5.102 0.000 -0.560) 5.132 4.701 ( -5.531 0.000 0.635) 5.567 4.714 ( -1.911 0.000 -0.696) 2.033 4.957 ( -1.397 0.000 1.157) 1.814 4.967 ( -0.615 0.000 0.514) 0.801 5.088 ( 1.399 -0.000 0.783) 1.604 5.114 ( 3.486 -0.000 -1.891) 3.966 5.605 ( -0.059 0.000 6.102) 6.102 5.712 ( -0.543 0.000 -5.101) 5.130 6.069 ( -4.363 0.000 7.791) 8.929 6.234 ( -5.805 0.000 -9.191) 10.870 7.046 ( -4.904 0.000 1.851) 5.241 7.046 ( -2.853 0.000 1.500) 3.224 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.768 -0.111 3.577) 5.962 1.079 ( 8.693 0.574 -1.189) 8.793 1.170 ( 7.615 0.673 3.701) 8.494 1.280 ( 12.897 0.335 -5.760) 14.129 1.596 ( 8.379 -1.102 2.172) 8.726 1.638 ( 8.335 -1.431 -1.668) 8.620 1.807 ( 4.923 2.224 4.422) 6.981 1.856 ( -2.156 4.250 0.775) 4.828 1.900 ( 0.441 -1.846 -1.671) 2.529 1.921 ( -1.934 -1.109 -2.054) 3.031 2.128 ( 2.402 -0.413 7.761) 8.135 2.207 ( 2.627 0.073 -1.770) 3.168 2.236 ( 17.334 -1.241 8.934) 19.540 2.459 ( 14.406 -0.232 -10.422) 17.782 2.689 ( 1.747 -0.041 2.301) 2.889 2.725 ( -1.635 0.087 -0.994) 1.915 2.905 ( 8.315 -0.186 0.214) 8.320 2.950 ( 4.008 -0.463 -5.201) 6.583 4.002 ( 3.144 -0.176 2.970) 4.329 4.063 ( 5.046 -0.233 -3.132) 5.944 4.149 ( 5.529 -0.052 1.947) 5.862 4.218 ( 6.177 -0.038 -4.164) 7.450 4.271 ( -5.339 -0.025 0.241) 5.345 4.311 ( -3.897 0.033 -2.743) 4.765 4.629 ( -1.711 0.092 4.326) 4.653 4.700 ( 0.255 0.239 -3.248) 3.267 4.931 ( -1.085 0.071 1.012) 1.485 4.944 ( -1.298 0.029 0.022) 1.298 5.124 ( 2.053 -0.017 2.612) 3.322 5.177 ( 3.011 -0.021 -2.983) 4.238 5.599 ( -0.411 0.446 5.688) 5.721 5.680 ( -2.475 0.918 -2.223) 3.451 5.977 ( -5.212 -0.013 4.879) 7.139 6.105 ( -7.739 -0.365 -7.629) 10.873 6.964 ( -3.648 0.215 2.978) 4.714 6.997 ( -2.246 0.264 -0.557) 2.329 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.409 -0.031 2.273) 2.309 1.110 ( -0.731 -0.262 -2.439) 2.559 1.408 ( 13.346 2.851 5.100) 14.569 1.509 ( 11.250 1.985 -5.058) 12.493 1.754 ( -2.152 3.633 1.073) 4.357 1.768 ( -3.181 4.325 -0.807) 5.429 1.779 ( 7.956 -1.493 3.088) 8.663 1.817 ( 5.916 -2.345 -0.851) 6.421 1.934 ( 3.895 -3.220 2.587) 5.677 1.978 ( 2.870 -1.740 -2.592) 4.240 2.166 ( 2.000 -0.720 5.790) 6.168 2.240 ( 1.026 0.000 -1.162) 1.551 2.547 ( 9.188 -0.364 7.092) 11.612 2.671 ( -2.088 0.127 -3.675) 4.229 2.695 ( 3.315 -0.412 0.875) 3.454 2.750 ( 14.563 -0.386 -5.740) 15.658 3.043 ( 5.052 -0.335 -1.157) 5.194 3.046 ( 4.450 -0.594 -1.616) 4.771 3.994 ( -3.898 -0.164 3.844) 5.477 4.080 ( -4.316 -0.234 -5.255) 6.804 4.209 ( 2.808 -0.026 2.026) 3.462 4.224 ( 0.590 0.014 0.690) 0.908 4.312 ( 3.795 0.151 -1.243) 3.996 4.331 ( 5.801 0.031 -3.765) 6.916 4.623 ( 0.431 0.102 5.398) 5.416 4.712 ( 0.759 0.233 -3.908) 3.988 4.927 ( 0.920 0.225 0.266) 0.983 4.932 ( 0.384 0.071 -0.017) 0.391 5.154 ( 0.962 0.034 3.802) 3.922 5.223 ( 1.740 0.046 -3.490) 3.900 5.586 ( -0.636 0.598 4.262) 4.350 5.615 ( -3.770 0.806 2.091) 4.385 5.879 ( -4.890 0.260 0.698) 4.946 5.953 ( -8.300 -0.481 -5.798) 10.136 6.905 ( -2.438 0.261 3.622) 4.374 6.959 ( -1.524 0.424 -2.053) 2.591 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.806 -0.202 1.635) 1.834 1.089 ( -1.502 -0.413 -1.649) 2.269 1.576 ( 3.119 3.948 4.430) 6.704 1.655 ( -0.174 2.967 -3.286) 4.431 1.672 ( 0.897 2.642 0.336) 2.810 1.682 ( 1.985 2.472 -0.650) 3.236 1.942 ( 3.882 -0.714 0.706) 4.010 1.951 ( 5.361 -1.738 0.278) 5.642 2.029 ( 5.898 -2.235 3.309) 7.123 2.055 ( 5.315 -2.877 -0.286) 6.050 2.219 ( 3.197 -0.684 4.908) 5.898 2.251 ( 0.255 -0.545 1.847) 1.942 2.517 ( -5.574 0.451 0.380) 5.605 2.626 ( -2.272 0.185 -9.034) 9.317 2.902 ( 11.247 -0.401 4.486) 12.115 2.985 ( 9.362 -0.024 -4.179) 10.253 3.095 ( 0.929 -0.459 0.109) 1.042 3.103 ( 1.155 -0.904 -0.606) 1.587 3.908 ( -4.190 -0.023 3.367) 5.375 3.981 ( -4.801 -0.117 -4.276) 6.430 4.253 ( 1.718 0.136 1.288) 2.152 4.270 ( 3.135 0.200 -0.132) 3.144 4.389 ( 4.148 0.244 1.283) 4.349 4.441 ( 5.880 0.153 -4.035) 7.132 4.621 ( -1.020 -0.019 5.327) 5.423 4.713 ( -0.884 0.053 -4.224) 4.316 4.961 ( 2.944 0.240 0.315) 2.970 4.969 ( 3.184 0.097 -0.582) 3.238 5.159 ( -0.291 0.039 4.998) 5.007 5.243 ( 0.532 0.096 -4.086) 4.122 5.533 ( -4.218 0.490 6.085) 7.420 5.576 ( -0.127 0.395 1.866) 1.912 5.793 ( -4.692 0.434 -2.662) 5.413 5.806 ( -6.400 -0.431 -3.815) 7.463 6.867 ( -1.439 0.215 3.990) 4.247 6.934 ( -0.977 0.402 -2.924) 3.109 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.049 -0.241 1.008) 1.037 1.066 ( -0.817 -0.315 -0.883) 1.244 1.519 ( -3.015 2.570 4.281) 5.833 1.590 ( -2.344 1.351 -3.051) 4.078 1.719 ( 1.467 0.866 1.172) 2.068 1.740 ( 1.211 0.284 -0.647) 1.402 1.974 ( 0.412 -0.137 0.557) 0.706 1.988 ( 0.215 -0.590 -0.920) 1.114 2.166 ( 4.483 -0.890 3.966) 6.051 2.192 ( 7.330 -1.689 4.044) 8.540 2.260 ( 1.233 -0.324 3.467) 3.694 2.283 ( 1.953 0.133 5.796) 6.118 2.400 ( -5.860 0.258 -3.167) 6.666 2.589 ( -1.314 0.214 -13.885) 13.949 3.048 ( 3.584 0.631 1.158) 3.819 3.061 ( -0.361 0.069 -0.491) 0.613 3.115 ( 0.979 -1.200 1.141) 1.924 3.139 ( 2.630 -0.207 -0.823) 2.763 3.852 ( -1.528 0.017 3.062) 3.422 3.919 ( -1.649 -0.043 -3.918) 4.251 4.275 ( 0.539 0.100 1.731) 1.816 4.310 ( 0.972 0.185 -1.824) 2.075 4.463 ( 3.276 0.213 3.454) 4.766 4.541 ( 3.979 0.185 -4.748) 6.198 4.585 ( -2.231 -0.134 5.267) 5.722 4.678 ( -2.214 -0.109 -4.436) 4.960 5.021 ( 2.501 0.094 0.173) 2.509 5.026 ( 2.071 0.061 -0.360) 2.103 5.149 ( -0.611 0.005 5.635) 5.668 5.246 ( -0.085 0.054 -4.915) 4.916 5.463 ( -2.387 0.133 8.628) 8.953 5.586 ( 1.224 0.245 -2.805) 3.070 5.682 ( -4.504 -0.204 1.007) 4.620 5.748 ( -1.472 0.172 -4.875) 5.095 6.848 ( -0.543 0.087 4.076) 4.113 6.919 ( -0.479 0.176 -3.272) 3.312 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.536 0.367 0.999) 1.191 1.071 ( 1.329 0.116 -0.744) 1.527 1.482 ( -0.323 -0.871 4.919) 5.006 1.565 ( -0.127 -0.985 -3.651) 3.783 1.690 ( -4.564 -1.900 1.509) 5.168 1.718 ( -3.829 -1.854 -1.137) 4.404 1.978 ( 0.044 0.213 1.032) 1.054 1.999 ( 0.794 0.465 -1.204) 1.515 2.187 ( -1.924 0.978 5.079) 5.519 2.223 ( -6.730 1.027 7.492) 10.123 2.272 ( -0.299 1.057 2.402) 2.641 2.287 ( 0.873 0.649 2.875) 3.074 2.392 ( 5.138 -0.476 -3.682) 6.339 2.584 ( 0.943 -0.245 -14.354) 14.387 3.033 ( -3.309 -0.646 2.090) 3.967 3.063 ( -0.667 -0.041 -1.405) 1.556 3.135 ( 0.166 0.755 0.812) 1.121 3.148 ( -1.452 0.586 -0.333) 1.601 3.852 ( 1.493 -0.029 3.084) 3.426 3.920 ( 1.731 0.030 -4.037) 4.392 4.272 ( -0.741 -0.107 1.662) 1.823 4.306 ( -1.322 -0.190 -1.715) 2.174 4.459 ( -3.562 -0.245 3.436) 4.955 4.537 ( -4.206 -0.215 -4.830) 6.408 4.588 ( 2.314 0.151 5.279) 5.766 4.680 ( 2.232 0.107 -4.366) 4.904 5.019 ( -2.700 -0.083 0.219) 2.710 5.025 ( -2.217 -0.070 -0.362) 2.248 5.148 ( 0.582 -0.016 5.576) 5.606 5.245 ( -0.037 -0.067 -4.871) 4.871 5.460 ( 2.015 -0.165 8.539) 8.775 5.580 ( -1.580 -0.278 -2.743) 3.178 5.687 ( 4.767 0.253 0.647) 4.817 5.744 ( 1.108 -0.192 -4.435) 4.575 6.846 ( 0.343 -0.094 3.924) 3.940 6.915 ( 0.062 -0.202 -3.203) 3.210 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.558 0.464 2.047) 2.172 1.101 ( 1.724 0.794 -1.829) 2.636 1.484 ( -3.900 -4.724 5.725) 8.384 1.587 ( -0.415 -3.518 -4.288) 5.562 1.603 ( -3.575 -3.608 0.708) 5.128 1.626 ( -5.152 -3.045 -1.567) 6.186 1.960 ( -2.391 0.971 1.768) 3.128 1.988 ( -2.598 1.782 -0.810) 3.253 2.067 ( -6.501 1.374 6.773) 9.488 2.121 ( -4.446 3.202 -0.103) 5.480 2.241 ( -2.082 1.486 2.866) 3.841 2.268 ( -1.271 1.146 0.728) 1.860 2.504 ( 5.421 -0.771 0.242) 5.481 2.620 ( 2.368 -0.372 -9.840) 10.127 2.912 ( -9.621 0.539 4.204) 10.513 2.986 ( -8.555 -0.001 -3.499) 9.243 3.111 ( -1.034 1.012 0.350) 1.488 3.124 ( -1.490 1.102 -0.799) 2.018 3.908 ( 4.345 0.022 3.421) 5.530 3.984 ( 4.968 0.151 -4.493) 6.700 4.249 ( -1.663 -0.199 1.199) 2.059 4.265 ( -2.938 -0.301 -0.088) 2.955 4.382 ( -4.187 -0.388 1.456) 4.450 4.437 ( -5.778 -0.237 -4.166) 7.128 4.621 ( 0.827 0.055 5.258) 5.323 4.711 ( 0.580 -0.075 -4.110) 4.151 4.956 ( -3.112 -0.272 0.416) 3.151 4.965 ( -3.292 -0.261 -0.643) 3.364 5.158 ( 0.244 -0.048 4.958) 4.965 5.241 ( -0.551 -0.139 -4.008) 4.048 5.520 ( 3.406 -0.749 5.835) 6.798 5.566 ( -0.208 -0.630 1.317) 1.475 5.786 ( 3.840 -0.271 -1.456) 4.115 5.814 ( 7.424 0.302 -3.974) 8.426 6.862 ( 1.258 -0.287 3.587) 3.812 6.923 ( 0.638 -0.617 -2.749) 2.888 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -0.603 -0.008 2.700) 2.767 1.118 ( 0.076 0.415 -2.718) 2.750 1.332 ( -12.083 -3.979 6.240) 14.169 1.454 ( -10.216 -2.971 -6.248) 12.338 1.644 ( 2.136 -6.712 0.618) 7.071 1.658 ( 1.767 -5.351 -0.839) 5.697 1.835 ( -8.846 2.771 4.901) 10.485 1.883 ( -5.726 3.782 -0.326) 6.870 1.987 ( -2.954 1.613 2.513) 4.201 2.026 ( -3.710 2.965 -1.321) 4.930 2.189 ( -2.400 1.378 3.230) 4.253 2.239 ( -1.718 -0.154 -1.101) 2.046 2.556 ( -4.943 0.382 5.130) 7.134 2.666 ( 1.586 -0.380 -5.020) 5.278 2.711 ( -5.913 1.172 1.685) 6.259 2.763 ( -13.576 0.886 -3.842) 14.137 3.056 ( -5.414 0.860 -0.739) 5.532 3.064 ( -3.854 1.124 -1.999) 4.485 3.999 ( 4.261 0.333 3.957) 5.825 4.088 ( 4.750 0.490 -5.404) 7.211 4.210 ( -2.501 0.053 2.021) 3.216 4.223 ( -0.450 -0.040 0.746) 0.872 4.307 ( -3.708 -0.337 -1.056) 3.870 4.330 ( -5.626 -0.076 -3.899) 6.846 4.620 ( -0.629 -0.177 5.156) 5.197 4.704 ( -1.205 -0.519 -3.690) 3.916 4.920 ( -0.822 -0.362 0.414) 0.989 4.929 ( -0.417 -0.289 -0.213) 0.550 5.153 ( -0.915 -0.064 3.876) 3.983 5.221 ( -1.665 -0.113 -3.415) 3.801 5.567 ( 0.365 -1.238 3.606) 3.830 5.587 ( 2.254 -1.837 1.991) 3.524 5.873 ( 5.245 -0.235 2.558) 5.840 5.967 ( 8.593 0.744 -6.316) 10.691 6.897 ( 2.260 -0.477 3.121) 3.883 6.945 ( 1.316 -0.930 -1.865) 2.465 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -6.224 -1.320 2.922) 7.001 1.057 ( -9.404 -0.760 0.490) 9.448 1.149 ( -4.487 -0.760 3.524) 5.756 1.270 ( -9.456 -0.114 -6.832) 11.666 1.644 ( -8.431 1.965 5.189) 10.093 1.681 ( -4.363 0.175 0.653) 4.415 1.703 ( -0.600 -6.787 -0.060) 6.814 1.768 ( -3.161 -1.266 -4.420) 5.579 1.918 ( -3.538 1.009 4.749) 6.008 1.951 ( -3.246 0.765 -0.264) 3.346 2.140 ( -2.404 0.483 4.503) 5.127 2.203 ( -2.159 -0.309 -1.524) 2.661 2.293 ( -15.068 3.867 7.188) 17.137 2.471 ( -14.363 0.833 -8.804) 16.867 2.690 ( -1.733 0.090 1.770) 2.479 2.720 ( 1.462 -0.388 -0.888) 1.754 2.915 ( -7.992 0.826 0.940) 8.089 2.973 ( -3.614 1.653 -5.606) 6.872 4.011 ( -3.012 0.682 3.180) 4.432 4.076 ( -4.841 0.946 -3.170) 5.863 4.151 ( -5.520 0.190 1.890) 5.838 4.220 ( -5.996 0.109 -4.034) 7.227 4.273 ( 5.301 0.089 0.133) 5.303 4.309 ( 3.920 -0.135 -2.567) 4.688 4.624 ( 1.725 -0.292 3.888) 4.264 4.687 ( -0.495 -1.020 -2.814) 3.033 4.927 ( 1.196 -0.249 1.071) 1.625 4.943 ( 1.441 -0.076 -0.160) 1.452 5.125 ( -1.931 0.065 2.691) 3.313 5.178 ( -2.909 -0.016 -2.874) 4.089 5.576 ( -0.019 -1.700 4.692) 4.990 5.633 ( 1.007 -3.522 -0.884) 3.768 5.979 ( 5.662 0.220 6.210) 8.407 6.122 ( 8.068 1.155 -8.263) 11.606 6.953 ( 3.403 -0.706 2.599) 4.339 6.983 ( 2.184 -1.025 -0.511) 2.466 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -12.749 0.274 6.626) 14.371 0.888 ( -8.848 0.777 0.043) 8.882 1.065 ( -8.031 1.644 0.387) 8.207 1.137 ( -2.779 2.039 -5.037) 6.103 1.470 ( -8.445 2.471 3.041) 9.310 1.532 ( -8.319 4.456 -2.567) 9.780 1.682 ( -3.947 -3.615 2.674) 5.983 1.728 ( -5.629 -5.575 -2.852) 8.420 1.821 ( -8.357 -2.796 14.672) 17.115 1.912 ( -0.743 -1.779 2.610) 3.245 2.036 ( -4.512 1.476 1.648) 5.025 2.137 ( -2.233 1.519 -1.019) 2.886 2.160 ( -1.234 1.204 0.139) 1.730 2.271 ( -4.738 -0.197 -12.555) 13.421 2.581 ( -8.816 0.274 2.503) 9.169 2.634 ( -10.299 -0.239 -2.961) 10.719 2.856 ( 2.459 0.965 4.672) 5.368 2.957 ( 2.468 1.840 -6.695) 7.369 3.916 ( -5.774 0.590 1.947) 6.122 3.949 ( -7.393 0.812 -1.128) 7.523 4.017 ( -7.883 0.134 0.868) 7.932 4.084 ( -8.545 0.095 -6.142) 10.524 4.371 ( 1.935 -0.240 0.413) 1.993 4.380 ( 4.909 -0.097 -0.685) 4.957 4.690 ( 3.669 -0.965 1.434) 4.055 4.714 ( 3.965 -0.062 -1.054) 4.103 4.955 ( 1.209 -0.127 1.172) 1.689 4.968 ( 0.790 0.084 0.204) 0.820 5.088 ( -1.668 0.074 0.999) 1.945 5.117 ( -3.084 0.187 -1.860) 3.607 5.583 ( -0.337 -2.135 5.181) 5.613 5.658 ( -0.516 -4.853 -2.504) 5.485 6.076 ( 4.645 0.672 8.366) 9.592 6.251 ( 6.049 1.480 -9.870) 11.670 7.033 ( 4.333 -1.082 1.809) 4.819 7.037 ( 3.029 -0.907 1.301) 3.419 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -8.198 4.851 9.042) 13.133 0.734 ( -5.493 2.225 -2.393) 6.392 0.874 ( -9.247 4.490 7.046) 12.463 1.074 ( -3.304 2.268 -10.618) 11.349 1.300 ( -7.819 2.410 7.351) 10.999 1.378 ( -4.823 0.678 -2.011) 5.269 1.615 ( -4.679 -2.366 1.065) 5.351 1.622 ( -5.820 -2.240 -0.474) 6.254 1.692 ( -3.897 0.320 19.297) 19.689 1.929 ( 0.727 -3.479 3.268) 4.828 2.017 ( 0.148 -2.020 -3.779) 4.288 2.091 ( -0.030 1.190 -11.432) 11.493 2.191 ( 3.451 -0.095 1.677) 3.838 2.252 ( 0.612 -0.383 -6.650) 6.689 2.409 ( -7.872 0.288 0.744) 7.912 2.436 ( -9.530 -0.191 -1.883) 9.716 2.927 ( 4.815 0.658 4.236) 6.447 3.015 ( 3.866 1.708 -5.855) 7.221 3.810 ( -6.279 0.248 0.481) 6.302 3.812 ( -4.707 0.247 0.562) 4.747 3.878 ( -5.980 -0.016 -0.683) 6.018 3.900 ( -9.900 0.017 -3.874) 10.631 4.391 ( 0.358 -0.097 2.355) 2.384 4.444 ( 1.801 -0.241 -3.313) 3.779 4.769 ( 4.711 -1.025 3.336) 5.863 4.810 ( 4.797 0.292 -1.157) 4.944 4.946 ( -2.586 -0.452 1.051) 2.828 4.970 ( -0.704 -0.047 -1.212) 1.402 5.055 ( -1.546 -0.195 1.292) 2.024 5.087 ( 0.053 0.806 -1.627) 1.817 5.586 ( -0.472 -2.540 5.115) 5.731 5.663 ( -1.256 -5.050 -2.738) 5.880 6.142 ( 2.578 0.843 9.098) 9.494 6.331 ( 3.101 1.554 -10.820) 11.362 7.092 ( 2.288 -0.752 3.276) 4.066 7.128 ( 4.361 -1.742 -0.180) 4.700 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -0.000 6.570 11.194) 12.979 0.681 ( -0.000 2.594 -9.689) 10.030 0.738 ( -0.000 3.205 16.755) 17.058 1.022 ( -0.000 1.943 -13.429) 13.569 1.206 ( -0.000 1.819 12.397) 12.530 1.339 ( 0.000 -0.419 -4.200) 4.221 1.559 ( 0.000 -1.078 1.567) 1.902 1.579 ( 0.000 -1.373 -0.636) 1.513 1.660 ( -0.000 0.573 19.502) 19.511 1.956 ( 0.000 -3.113 3.683) 4.822 2.027 ( 0.000 -0.941 -7.010) 7.073 2.100 ( -0.000 0.229 -14.989) 14.990 2.260 ( 0.000 -0.321 2.306) 2.329 2.266 ( 0.000 -0.563 2.466) 2.529 2.306 ( 0.000 -0.088 -2.474) 2.475 2.326 ( -0.000 0.220 -3.957) 3.963 2.990 ( 0.000 -0.140 1.840) 1.845 3.053 ( -0.000 1.465 -5.249) 5.450 3.740 ( -0.000 0.060 0.205) 0.214 3.743 ( -0.000 0.064 -0.116) 0.132 3.795 ( -0.000 0.065 1.432) 1.433 3.821 ( -0.000 0.063 -1.227) 1.228 4.393 ( -0.000 0.003 2.820) 2.820 4.460 ( 0.000 -0.163 -4.279) 4.283 4.863 ( -0.000 0.046 0.792) 0.793 4.865 ( 0.000 -1.214 5.369) 5.504 4.879 ( -0.000 0.044 -0.857) 0.858 4.953 ( 0.000 -0.277 -4.004) 4.014 5.044 ( -0.000 0.043 2.373) 2.373 5.086 ( -0.000 0.704 -1.910) 2.035 5.593 ( 0.000 -2.156 4.928) 5.379 5.671 ( 0.000 -4.059 -2.999) 5.047 6.163 ( -0.000 0.675 9.105) 9.130 6.353 ( -0.000 1.278 -10.913) 10.988 7.119 ( 0.000 -0.582 4.452) 4.490 7.186 ( 0.000 -1.910 -2.624) 3.245 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.427 -0.000 2.199) 2.240 1.109 ( -0.801 0.000 -2.392) 2.522 1.423 ( 13.436 -0.000 4.888) 14.298 1.519 ( 11.356 -0.000 -4.752) 12.310 1.764 ( 8.709 -0.000 3.273) 9.304 1.782 ( -4.110 0.000 0.508) 4.142 1.785 ( 2.677 -0.000 -0.375) 2.703 1.811 ( -0.373 0.000 -1.436) 1.484 1.914 ( 5.003 -0.000 3.013) 5.840 1.969 ( 3.085 -0.000 -3.164) 4.419 2.162 ( 1.994 -0.000 6.294) 6.602 2.240 ( 0.930 -0.000 -1.149) 1.478 2.545 ( 9.860 -0.000 7.392) 12.324 2.672 ( -2.168 0.000 -3.444) 4.069 2.693 ( 2.908 -0.000 0.762) 3.007 2.748 ( 14.705 -0.000 -6.070) 15.909 3.042 ( 4.371 -0.000 -1.786) 4.722 3.042 ( 5.172 -0.000 -0.994) 5.267 3.993 ( -3.844 0.000 3.827) 5.424 4.079 ( -4.253 0.000 -5.234) 6.744 4.209 ( 2.854 -0.000 2.026) 3.500 4.224 ( 0.611 -0.000 0.681) 0.915 4.312 ( 3.807 -0.000 -1.272) 4.013 4.331 ( 5.828 -0.000 -3.745) 6.928 4.623 ( 0.400 -0.000 5.431) 5.446 4.713 ( 0.697 -0.000 -3.936) 3.997 4.928 ( 0.979 -0.000 0.206) 1.000 4.932 ( 0.331 -0.000 0.049) 0.335 5.154 ( 0.969 -0.000 3.790) 3.912 5.223 ( 1.755 -0.000 -3.499) 3.914 5.589 ( -0.677 0.000 4.364) 4.416 5.619 ( -3.999 0.000 2.134) 4.533 5.880 ( -4.827 0.000 0.343) 4.839 5.951 ( -8.263 0.000 -5.678) 10.026 6.906 ( -2.470 0.000 3.690) 4.440 6.962 ( -1.555 0.000 -2.075) 2.592 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.883 -0.064 1.538) 1.775 1.086 ( -1.444 -0.140 -1.596) 2.157 1.604 ( 3.232 1.565 4.064) 5.423 1.676 ( 0.454 1.194 -2.923) 3.190 1.689 ( 0.488 0.884 0.401) 1.086 1.701 ( -1.156 1.061 -0.614) 1.685 1.935 ( 5.564 -0.594 0.700) 5.639 1.940 ( 5.291 -0.318 -0.043) 5.301 2.011 ( 6.451 -1.190 2.963) 7.198 2.036 ( 5.148 -1.041 -0.570) 5.283 2.214 ( 3.575 -0.215 5.495) 6.559 2.247 ( 0.073 -0.182 2.071) 2.080 2.520 ( -5.630 0.159 0.412) 5.648 2.627 ( -2.235 0.061 -8.826) 9.105 2.900 ( 11.654 -0.151 4.552) 12.512 2.985 ( 9.579 -0.011 -4.368) 10.528 3.093 ( 0.996 0.026 -0.150) 1.008 3.096 ( 0.955 -0.513 -0.352) 1.139 3.908 ( -4.149 -0.009 3.352) 5.334 3.980 ( -4.759 -0.044 -4.219) 6.360 4.254 ( 1.732 0.050 1.310) 2.172 4.272 ( 3.190 0.072 -0.141) 3.194 4.391 ( 4.140 0.086 1.240) 4.322 4.442 ( 5.906 0.055 -4.004) 7.135 4.621 ( -1.073 -0.005 5.342) 5.449 4.713 ( -0.964 0.019 -4.249) 4.357 4.963 ( 2.872 0.098 0.261) 2.885 4.970 ( 3.191 0.022 -0.539) 3.236 5.160 ( -0.304 0.015 5.009) 5.019 5.244 ( 0.527 0.035 -4.104) 4.138 5.536 ( -4.439 0.176 6.156) 7.591 5.579 ( -0.190 0.140 2.014) 2.027 5.797 ( -5.429 0.466 -3.177) 6.308 5.802 ( -5.625 -0.463 -3.583) 6.685 6.869 ( -1.492 0.080 4.086) 4.350 6.937 ( -1.061 0.144 -2.963) 3.151 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.148 -0.109 0.918) 0.936 1.064 ( -0.798 -0.219 -0.849) 1.185 1.542 ( -4.039 2.034 3.843) 5.935 1.601 ( -3.240 0.749 -2.111) 3.938 1.725 ( 0.161 0.434 0.542) 0.713 1.739 ( 0.113 -0.370 -0.582) 0.699 1.973 ( 0.473 -0.028 0.323) 0.574 1.983 ( 0.725 -0.417 -0.718) 1.102 2.160 ( 5.291 -0.448 3.424) 6.318 2.179 ( 8.360 -1.001 4.120) 9.374 2.258 ( 1.420 -0.150 3.495) 3.775 2.285 ( 2.700 0.156 6.101) 6.674 2.402 ( -6.084 0.131 -2.960) 6.767 2.591 ( -1.416 0.120 -13.718) 13.791 3.050 ( 2.793 0.025 0.640) 2.865 3.065 ( -0.027 0.646 -0.800) 1.029 3.104 ( 1.591 -1.041 2.112) 2.841 3.138 ( 2.998 -0.055 -1.053) 3.178 3.852 ( -1.540 0.008 3.052) 3.419 3.919 ( -1.620 -0.028 -3.876) 4.201 4.275 ( 0.469 0.057 1.758) 1.821 4.312 ( 0.853 0.108 -1.864) 2.052 4.465 ( 3.180 0.120 3.460) 4.701 4.542 ( 3.900 0.104 -4.725) 6.128 4.584 ( -2.207 -0.076 5.263) 5.707 4.677 ( -2.210 -0.064 -4.458) 4.976 5.022 ( 2.426 0.058 0.148) 2.431 5.027 ( 2.038 0.033 -0.354) 2.069 5.149 ( -0.627 0.001 5.661) 5.695 5.246 ( -0.130 0.030 -4.929) 4.931 5.464 ( -2.512 0.073 8.658) 9.015 5.588 ( 1.094 0.138 -2.837) 3.044 5.681 ( -4.416 -0.112 1.135) 4.561 5.749 ( -1.586 0.098 -5.019) 5.264 6.849 ( -0.616 0.050 4.127) 4.173 6.920 ( -0.620 0.099 -3.294) 3.354 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.648 0.297 0.863) 1.119 1.071 ( 1.800 -0.023 -0.570) 1.888 1.479 ( -1.992 0.120 4.990) 5.374 1.557 ( -1.289 -0.723 -2.929) 3.281 1.673 ( -5.320 -1.280 0.880) 5.542 1.698 ( -4.741 -1.991 -1.433) 5.338 1.980 ( 0.270 0.167 1.187) 1.229 2.003 ( 1.151 0.290 -1.251) 1.725 2.195 ( -0.896 0.596 5.353) 5.460 2.230 ( -7.059 0.318 10.066) 12.299 2.284 ( 0.452 1.183 1.375) 1.869 2.294 ( 1.920 0.720 1.402) 2.484 2.388 ( 4.757 -0.463 -3.908) 6.174 2.582 ( 0.748 -0.173 -14.551) 14.571 3.028 ( -3.249 -0.395 2.206) 3.947 3.062 ( -0.958 -0.144 -1.750) 2.000 3.141 ( 0.762 0.536 0.933) 1.319 3.153 ( -1.122 0.422 -0.182) 1.212 3.852 ( 1.478 -0.024 3.091) 3.426 3.920 ( 1.764 0.015 -4.085) 4.450 4.271 ( -0.828 -0.075 1.638) 1.837 4.305 ( -1.475 -0.128 -1.672) 2.233 4.457 ( -3.687 -0.175 3.427) 5.037 4.535 ( -4.301 -0.154 -4.869) 6.498 4.589 ( 2.353 0.107 5.281) 5.782 4.681 ( 2.241 0.071 -4.332) 4.878 5.018 ( -2.779 -0.054 0.232) 2.789 5.024 ( -2.302 -0.049 -0.359) 2.330 5.148 ( 0.578 -0.014 5.557) 5.587 5.244 ( -0.086 -0.049 -4.850) 4.851 5.459 ( 1.852 -0.121 8.499) 8.700 5.578 ( -1.724 -0.197 -2.730) 3.235 5.689 ( 4.891 0.187 0.494) 4.919 5.743 ( 0.931 -0.137 -4.236) 4.339 6.845 ( 0.262 -0.065 3.856) 3.865 6.913 ( -0.119 -0.144 -3.172) 3.177 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.480 0.466 2.285) 2.381 1.109 ( 1.861 0.761 -1.912) 2.775 1.442 ( -4.804 -3.651 6.366) 8.771 1.555 ( -0.648 -2.894 -3.396) 4.509 1.573 ( -5.455 -2.571 -0.642) 6.064 1.598 ( -4.875 -2.576 -1.851) 5.816 1.969 ( -1.962 0.738 2.110) 2.974 2.004 ( -1.531 1.300 -1.387) 2.440 2.077 ( -7.008 0.712 8.587) 11.107 2.148 ( -3.645 2.262 -0.127) 4.292 2.256 ( -2.002 1.447 2.162) 3.283 2.279 ( -1.934 1.087 0.117) 2.221 2.497 ( 5.408 -0.706 0.160) 5.456 2.617 ( 2.392 -0.350 -10.262) 10.542 2.917 ( -8.783 0.435 4.037) 9.676 2.986 ( -8.140 -0.020 -3.171) 8.736 3.121 ( -1.137 0.902 0.348) 1.492 3.134 ( -1.566 0.871 -0.759) 1.947 3.909 ( 4.423 0.013 3.444) 5.606 3.985 ( 5.054 0.115 -4.602) 6.836 4.248 ( -1.634 -0.164 1.150) 2.005 4.262 ( -2.850 -0.251 -0.061) 2.861 4.379 ( -4.209 -0.330 1.547) 4.496 4.435 ( -5.727 -0.199 -4.240) 7.129 4.622 ( 0.738 0.057 5.218) 5.270 4.711 ( 0.428 -0.060 -4.041) 4.064 4.954 ( -3.159 -0.195 0.412) 3.192 4.963 ( -3.399 -0.260 -0.620) 3.465 5.158 ( 0.223 -0.035 4.940) 4.945 5.239 ( -0.560 -0.114 -3.964) 4.005 5.513 ( 3.007 -0.629 5.721) 6.494 5.560 ( -0.421 -0.535 1.053) 1.254 5.784 ( 3.626 -0.175 -0.953) 3.754 5.816 ( 7.734 0.214 -3.976) 8.699 6.860 ( 1.182 -0.221 3.360) 3.569 6.917 ( 0.455 -0.521 -2.640) 2.729 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.122 -0.147 2.945) 3.154 1.121 ( -0.574 0.294 -2.894) 2.965 1.298 ( -10.536 -2.856 6.789) 12.855 1.428 ( -9.192 -2.401 -6.409) 11.460 1.583 ( 0.939 -5.609 0.903) 5.759 1.609 ( 0.963 -4.743 -1.544) 5.080 1.858 ( -8.270 1.891 6.017) 10.401 1.919 ( -5.076 3.420 -0.149) 6.122 1.997 ( -2.747 0.535 2.816) 3.970 2.055 ( -4.556 2.873 -1.711) 5.652 2.202 ( -2.828 1.262 2.152) 3.771 2.237 ( -2.216 -0.336 -0.845) 2.395 2.559 ( -2.691 0.169 4.039) 4.856 2.662 ( 1.373 -0.407 -5.682) 5.859 2.723 ( -7.260 1.248 2.110) 7.663 2.772 ( -12.993 0.845 -2.892) 13.338 3.065 ( -5.527 0.823 -0.565) 5.617 3.075 ( -3.638 1.044 -2.153) 4.354 4.002 ( 4.486 0.304 4.026) 6.035 4.092 ( 5.035 0.456 -5.506) 7.475 4.210 ( -2.315 0.049 2.014) 3.069 4.223 ( -0.360 -0.044 0.778) 0.859 4.303 ( -3.647 -0.326 -0.940) 3.781 4.329 ( -5.524 -0.078 -3.982) 6.811 4.618 ( -0.738 -0.138 4.986) 5.043 4.699 ( -1.515 -0.506 -3.518) 3.864 4.917 ( -0.841 -0.293 0.408) 0.980 4.925 ( -0.337 -0.331 -0.241) 0.530 5.153 ( -0.888 -0.054 3.921) 4.021 5.220 ( -1.640 -0.117 -3.356) 3.737 5.555 ( 0.253 -1.156 3.227) 3.437 5.570 ( 1.280 -1.771 2.051) 2.997 5.872 ( 5.438 -0.122 3.418) 6.424 5.973 ( 8.777 0.611 -6.504) 10.941 6.893 ( 2.181 -0.391 2.761) 3.540 6.936 ( 1.181 -0.903 -1.700) 2.258 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -7.671 -2.042 3.300) 8.597 1.053 ( -7.571 -0.323 -1.313) 7.691 1.148 ( -3.738 0.519 4.966) 6.237 1.273 ( -7.124 0.704 -6.638) 9.762 1.613 ( -2.457 -6.933 2.639) 7.815 1.643 ( -0.522 -5.853 -0.791) 5.929 1.693 ( -6.677 2.603 4.970) 8.721 1.786 ( -6.800 3.645 -4.273) 8.819 1.930 ( -4.769 1.392 3.707) 6.198 1.954 ( -4.648 -0.073 0.270) 4.657 2.143 ( -2.993 0.206 3.741) 4.795 2.200 ( -1.765 -0.360 -1.284) 2.212 2.330 ( -14.188 3.591 5.987) 15.812 2.479 ( -14.272 0.839 -7.643) 16.211 2.691 ( -1.778 0.053 1.372) 2.246 2.716 ( 1.250 -0.474 -0.804) 1.560 2.924 ( -7.767 0.915 1.427) 7.950 2.990 ( -3.309 1.668 -5.842) 6.918 4.018 ( -2.901 0.723 3.351) 4.491 4.085 ( -4.657 1.047 -3.205) 5.749 4.153 ( -5.511 0.190 1.797) 5.799 4.221 ( -5.896 0.071 -3.942) 7.093 4.274 ( 5.260 0.087 0.062) 5.261 4.308 ( 3.937 -0.149 -2.431) 4.630 4.622 ( 1.772 -0.224 3.481) 3.912 4.676 ( -0.716 -1.187 -2.370) 2.745 4.925 ( 1.305 -0.239 1.128) 1.741 4.942 ( 1.590 -0.051 -0.291) 1.617 5.126 ( -1.842 0.071 2.704) 3.273 5.177 ( -2.908 -0.103 -2.760) 4.011 5.559 ( -0.367 -1.786 3.956) 4.356 5.597 ( 0.049 -3.668 0.218) 3.674 5.982 ( 5.947 0.298 6.930) 9.137 6.133 ( 8.287 1.086 -8.589) 11.984 6.947 ( 3.264 -0.628 2.241) 4.009 6.972 ( 2.161 -1.104 -0.407) 2.460 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -9.946 1.410 5.733) 11.567 0.896 ( -8.178 0.993 -1.593) 8.390 1.082 ( -4.983 2.103 2.215) 5.845 1.162 ( -3.123 3.069 -4.190) 6.060 1.492 ( -8.694 1.631 4.889) 10.107 1.580 ( -8.258 5.075 -2.666) 10.052 1.637 ( -3.028 -5.312 0.044) 6.115 1.668 ( -5.260 -6.417 -2.371) 8.630 1.804 ( -7.421 -0.802 12.881) 14.887 1.893 ( -2.446 -2.146 1.456) 3.565 2.044 ( -6.477 0.256 4.066) 7.652 2.156 ( -2.457 2.185 -0.517) 3.329 2.171 ( -1.236 0.968 0.361) 1.611 2.269 ( -5.579 -0.090 -12.432) 13.627 2.583 ( -8.724 0.221 2.094) 8.974 2.631 ( -10.160 -0.409 -2.775) 10.540 2.866 ( 2.481 1.157 5.261) 5.930 2.976 ( 2.595 2.103 -6.926) 7.689 3.922 ( -5.876 0.724 2.125) 6.290 3.958 ( -7.586 1.023 -1.060) 7.727 4.019 ( -7.931 0.172 0.697) 7.964 4.084 ( -8.712 -0.039 -5.991) 10.573 4.369 ( 1.921 -0.259 0.422) 1.984 4.379 ( 4.748 -0.131 -0.801) 4.817 4.680 ( 2.943 -1.099 2.165) 3.815 4.713 ( 4.895 -0.133 -1.295) 5.065 4.955 ( 1.242 0.002 1.161) 1.700 4.969 ( 0.817 0.131 0.026) 0.828 5.089 ( -1.818 0.112 1.018) 2.087 5.118 ( -2.924 -0.088 -1.765) 3.416 5.558 ( -0.963 -2.835 4.509) 5.413 5.608 ( -1.022 -5.046 -0.399) 5.164 6.084 ( 4.884 0.793 8.813) 10.107 6.266 ( 6.221 1.535 -10.323) 12.150 7.022 ( 4.133 -1.066 1.707) 4.596 7.027 ( 2.992 -1.023 1.132) 3.359 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -4.989 7.018 6.973) 11.080 0.761 ( -4.287 3.159 -2.402) 5.842 0.926 ( -8.349 6.008 6.891) 12.381 1.102 ( -2.584 3.377 -9.031) 9.982 1.328 ( -7.036 3.059 6.116) 9.811 1.389 ( -6.876 1.633 -0.297) 7.074 1.586 ( -4.256 -3.656 0.286) 5.619 1.593 ( -4.961 -3.511 -0.545) 6.102 1.696 ( -3.229 0.351 18.444) 18.728 1.889 ( -0.125 -4.762 1.542) 5.007 1.992 ( -0.466 -2.930 -1.963) 3.558 2.105 ( -0.514 1.681 -10.748) 10.891 2.190 ( 2.954 0.038 1.566) 3.344 2.247 ( 0.663 -0.577 -6.628) 6.686 2.412 ( -7.985 0.208 0.342) 7.996 2.433 ( -9.608 -0.321 -1.758) 9.773 2.935 ( 4.520 0.963 5.022) 6.824 3.035 ( 3.905 2.166 -6.079) 7.542 3.813 ( -6.342 0.336 0.542) 6.374 3.815 ( -5.084 0.359 0.606) 5.133 3.878 ( -6.194 0.004 -0.713) 6.235 3.900 ( -9.628 -0.078 -3.635) 10.292 4.390 ( 0.482 -0.075 2.204) 2.257 4.441 ( 1.809 -0.282 -3.352) 3.820 4.758 ( 4.680 -1.319 4.600) 6.694 4.813 ( 4.685 0.248 -1.482) 4.920 4.942 ( -2.761 -0.356 0.943) 2.940 4.969 ( -1.032 -0.144 -1.734) 2.023 5.054 ( -1.279 -0.079 1.974) 2.353 5.094 ( 0.132 0.574 -1.902) 1.991 5.552 ( -1.406 -4.444 5.440) 7.164 5.612 ( -0.953 -4.889 -0.522) 5.008 6.152 ( 2.691 1.114 9.381) 9.822 6.348 ( 3.183 1.782 -11.378) 11.949 7.084 ( 2.305 -0.868 2.748) 3.690 7.109 ( 3.840 -1.919 0.382) 4.310 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.000 10.093 7.771) 12.738 0.716 ( -0.000 4.429 -7.988) 9.134 0.782 ( -0.000 5.722 15.552) 16.571 1.050 ( -0.000 3.616 -12.719) 13.223 1.232 ( -0.000 3.509 11.014) 11.559 1.334 ( 0.000 -0.540 -2.155) 2.222 1.544 ( 0.000 -2.112 1.251) 2.455 1.560 ( 0.000 -2.644 -0.499) 2.690 1.668 ( -0.000 0.792 18.899) 18.916 1.915 ( 0.000 -5.124 1.809) 5.434 2.009 ( 0.000 -2.843 -4.134) 5.017 2.106 ( -0.000 1.104 -16.534) 16.571 2.256 ( 0.000 -0.561 2.487) 2.549 2.259 ( 0.000 -0.766 2.759) 2.863 2.305 ( 0.000 -0.163 -2.621) 2.626 2.328 ( -0.000 0.072 -4.205) 4.205 2.990 ( -0.000 0.176 3.097) 3.102 3.071 ( -0.000 2.045 -5.705) 6.061 3.741 ( -0.000 0.107 0.201) 0.228 3.744 ( -0.000 0.113 -0.126) 0.169 3.796 ( -0.000 0.115 1.422) 1.427 3.822 ( -0.000 0.111 -1.233) 1.238 4.393 ( -0.000 0.055 2.680) 2.681 4.458 ( 0.000 -0.218 -4.256) 4.262 4.848 ( 0.000 -2.023 6.416) 6.727 4.864 ( -0.000 0.082 0.789) 0.793 4.879 ( -0.000 0.078 -0.857) 0.860 4.949 ( 0.000 -0.524 -4.437) 4.468 5.045 ( -0.000 0.246 2.867) 2.878 5.094 ( -0.000 0.807 -2.165) 2.311 5.559 ( 0.000 -4.710 5.683) 7.381 5.625 ( 0.000 -4.717 -0.784) 4.782 6.172 ( -0.000 1.123 9.336) 9.403 6.369 ( -0.000 1.820 -11.558) 11.700 7.111 ( 0.000 -0.849 3.842) 3.935 7.163 ( 0.000 -2.621 -1.374) 2.959 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.229 -0.000 0.872) 0.901 1.062 ( -0.816 0.000 -0.823) 1.159 1.553 ( -4.395 0.000 3.621) 5.695 1.604 ( -3.598 0.000 -1.578) 3.929 1.728 ( -0.273 0.000 0.108) 0.294 1.736 ( -0.345 0.000 -0.500) 0.608 1.973 ( 0.420 -0.000 0.211) 0.470 1.981 ( 0.998 -0.000 -0.610) 1.170 2.158 ( 5.502 -0.000 3.163) 6.347 2.174 ( 8.884 -0.000 4.301) 9.870 2.257 ( 1.502 -0.000 3.508) 3.816 2.285 ( 2.929 -0.000 6.127) 6.791 2.402 ( -6.163 0.000 -2.880) 6.802 2.591 ( -1.450 0.000 -13.656) 13.733 3.050 ( 2.317 -0.000 0.577) 2.388 3.070 ( 0.078 -0.000 -1.691) 1.692 3.098 ( 2.027 -0.000 3.112) 3.714 3.138 ( 3.119 -0.000 -1.134) 3.319 3.852 ( -1.545 0.000 3.049) 3.418 3.918 ( -1.609 0.000 -3.860) 4.182 4.276 ( 0.444 -0.000 1.769) 1.824 4.312 ( 0.811 -0.000 -1.878) 2.046 4.466 ( 3.146 -0.000 3.462) 4.678 4.543 ( 3.872 -0.000 -4.718) 6.103 4.583 ( -2.198 0.000 5.262) 5.702 4.677 ( -2.209 0.000 -4.466) 4.982 5.022 ( 2.397 -0.000 0.138) 2.401 5.027 ( 2.029 -0.000 -0.351) 2.059 5.149 ( -0.633 0.000 5.671) 5.706 5.246 ( -0.146 0.000 -4.934) 4.937 5.465 ( -2.557 0.000 8.668) 9.037 5.589 ( 1.046 -0.000 -2.850) 3.036 5.680 ( -4.384 0.000 1.182) 4.540 5.750 ( -1.626 0.000 -5.070) 5.324 6.849 ( -0.643 0.000 4.145) 4.195 6.920 ( -0.671 0.000 -3.302) 3.370 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.585 0.125 0.729) 0.942 1.071 ( 2.226 -0.042 -0.421) 2.266 1.482 ( -3.077 0.278 4.964) 5.847 1.552 ( -1.994 -0.372 -1.993) 2.844 1.667 ( -5.449 -0.115 -0.029) 5.450 1.682 ( -5.265 -1.164 -1.521) 5.603 1.981 ( 0.400 0.065 1.264) 1.327 2.005 ( 1.346 0.097 -1.261) 1.847 2.198 ( -0.327 0.189 5.427) 5.440 2.231 ( -7.218 0.053 11.278) 13.390 2.293 ( 0.805 0.524 1.130) 1.483 2.300 ( 2.486 0.301 0.613) 2.578 2.384 ( 4.496 -0.210 -4.070) 6.068 2.581 ( 0.627 -0.062 -14.662) 14.675 3.025 ( -3.221 -0.130 2.220) 3.914 3.060 ( -1.084 -0.076 -1.902) 2.191 3.145 ( 1.184 0.206 0.980) 1.551 3.156 ( -1.047 0.142 -0.075) 1.060 3.851 ( 1.470 -0.009 3.094) 3.426 3.920 ( 1.782 0.004 -4.112) 4.481 4.271 ( -0.877 -0.027 1.625) 1.847 4.304 ( -1.561 -0.045 -1.648) 2.271 4.455 ( -3.758 -0.063 3.421) 5.083 4.534 ( -4.354 -0.056 -4.891) 6.548 4.590 ( 2.376 0.039 5.281) 5.791 4.682 ( 2.247 0.025 -4.311) 4.862 5.018 ( -2.822 -0.019 0.238) 2.832 5.024 ( -2.355 -0.017 -0.358) 2.382 5.148 ( 0.578 -0.006 5.547) 5.577 5.244 ( -0.112 -0.018 -4.838) 4.839 5.458 ( 1.759 -0.044 8.477) 8.657 5.577 ( -1.804 -0.071 -2.726) 3.269 5.691 ( 4.967 0.069 0.408) 4.984 5.742 ( 0.822 -0.050 -4.119) 4.201 6.845 ( 0.218 -0.023 3.817) 3.823 6.912 ( -0.222 -0.052 -3.153) 3.161 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.461 0.299 2.469) 2.529 1.115 ( 1.987 0.482 -1.978) 2.845 1.414 ( -5.647 -1.987 6.832) 9.083 1.532 ( -0.786 -1.664 -2.176) 2.850 1.554 ( -7.148 -1.246 -2.383) 7.637 1.578 ( -3.998 -1.529 -1.859) 4.666 1.974 ( -1.744 0.392 2.317) 2.927 2.013 ( -0.816 0.688 -1.857) 2.141 2.082 ( -7.343 0.269 9.797) 12.247 2.165 ( -2.940 1.125 -0.135) 3.150 2.268 ( -2.272 0.961 1.706) 2.999 2.288 ( -2.389 0.623 -0.172) 2.475 2.491 ( 5.446 -0.435 0.093) 5.464 2.614 ( 2.399 -0.215 -10.569) 10.841 2.921 ( -8.196 0.244 3.906) 9.083 2.985 ( -7.840 -0.019 -2.945) 8.375 3.128 ( -1.227 0.531 0.311) 1.373 3.140 ( -1.583 0.477 -0.692) 1.792 3.909 ( 4.477 0.005 3.459) 5.657 3.986 ( 5.114 0.060 -4.677) 6.930 4.246 ( -1.612 -0.092 1.115) 1.962 4.260 ( -2.792 -0.142 -0.040) 2.796 4.376 ( -4.225 -0.190 1.612) 4.526 4.434 ( -5.691 -0.114 -4.295) 7.131 4.622 ( 0.679 0.037 5.186) 5.231 4.710 ( 0.321 -0.033 -3.988) 4.001 4.952 ( -3.169 -0.095 0.385) 3.193 4.961 ( -3.504 -0.168 -0.580) 3.556 5.158 ( 0.211 -0.018 4.927) 4.931 5.239 ( -0.566 -0.064 -3.930) 3.971 5.508 ( 2.728 -0.359 5.647) 6.281 5.556 ( -0.583 -0.306 0.873) 1.094 5.783 ( 3.517 -0.084 -0.622) 3.572 5.818 ( 7.915 0.111 -3.966) 8.854 6.858 ( 1.138 -0.117 3.189) 3.388 6.913 ( 0.320 -0.298 -2.553) 2.590 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.894 -0.249 3.179) 3.709 1.124 ( -1.312 0.145 -3.074) 3.345 1.277 ( -8.553 -1.439 7.136) 11.232 1.408 ( -8.102 -1.630 -5.957) 10.187 1.538 ( -0.174 -3.573 0.622) 3.631 1.568 ( 0.156 -3.408 -2.008) 3.959 1.872 ( -7.888 1.028 6.907) 10.535 1.949 ( -4.430 2.713 -0.440) 5.213 1.998 ( -2.817 -0.308 3.508) 4.510 2.080 ( -5.015 2.155 -2.485) 5.998 2.213 ( -3.196 0.991 1.400) 3.628 2.233 ( -2.712 -0.511 -0.357) 2.783 2.559 ( -1.095 0.028 3.239) 3.419 2.658 ( 1.258 -0.314 -6.145) 6.281 2.734 ( -8.155 0.954 2.364) 8.544 2.779 ( -12.545 0.599 -2.204) 12.751 3.072 ( -5.603 0.589 -0.440) 5.651 3.084 ( -3.501 0.734 -2.262) 4.232 4.005 ( 4.672 0.210 4.082) 6.207 4.096 ( 5.283 0.321 -5.595) 7.702 4.210 ( -2.166 0.034 2.005) 2.952 4.222 ( -0.282 -0.035 0.805) 0.853 4.301 ( -3.595 -0.236 -0.844) 3.700 4.328 ( -5.445 -0.059 -4.051) 6.787 4.617 ( -0.817 -0.078 4.831) 4.901 4.694 ( -1.796 -0.370 -3.351) 3.820 4.915 ( -0.907 -0.169 0.348) 0.986 4.922 ( -0.208 -0.281 -0.211) 0.408 5.152 ( -0.867 -0.035 3.960) 4.054 5.219 ( -1.633 -0.090 -3.300) 3.683 5.545 ( 0.301 -0.826 2.956) 3.084 5.554 ( 0.347 -1.264 2.123) 2.495 5.871 ( 5.586 -0.045 4.017) 6.881 5.978 ( 8.924 0.395 -6.619) 11.118 6.890 ( 2.142 -0.234 2.422) 3.242 6.928 ( 1.057 -0.665 -1.523) 1.969 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -7.410 -1.524 3.476) 8.325 1.048 ( -6.821 -0.656 -3.163) 7.547 1.160 ( -2.890 1.999 6.225) 7.148 1.282 ( -5.223 0.972 -5.737) 7.819 1.545 ( -2.198 -6.561 2.020) 7.208 1.587 ( -0.742 -5.422 -2.049) 5.844 1.717 ( -7.122 1.979 7.762) 10.718 1.824 ( -7.061 3.917 -3.919) 8.976 1.939 ( -3.875 -0.075 1.803) 4.274 1.955 ( -7.174 0.843 0.531) 7.243 2.144 ( -3.621 -0.042 3.525) 5.053 2.197 ( -1.359 -0.316 -1.013) 1.724 2.361 ( -13.709 2.718 5.028) 14.852 2.487 ( -14.139 0.665 -6.598) 15.617 2.691 ( -1.837 0.035 0.980) 2.082 2.711 ( 0.966 -0.473 -0.705) 1.286 2.932 ( -7.566 0.774 1.843) 7.825 3.004 ( -3.034 1.326 -6.022) 6.872 4.024 ( -2.789 0.601 3.525) 4.535 4.095 ( -4.456 0.912 -3.229) 5.578 4.155 ( -5.494 0.150 1.641) 5.736 4.221 ( -5.855 0.010 -3.863) 7.015 4.274 ( 5.217 0.065 0.010) 5.217 4.307 ( 3.954 -0.127 -2.301) 4.577 4.620 ( 1.893 -0.069 3.001) 3.549 4.665 ( -1.004 -1.118 -1.817) 2.358 4.923 ( 1.422 -0.177 1.188) 1.861 4.942 ( 1.764 -0.021 -0.407) 1.811 5.126 ( -1.758 0.064 2.676) 3.203 5.176 ( -2.974 -0.159 -2.623) 3.969 5.543 ( -0.805 -1.509 3.309) 3.725 5.564 ( -0.633 -2.941 1.239) 3.253 5.984 ( 6.179 0.274 7.468) 9.696 6.142 ( 8.473 0.819 -8.822) 12.259 6.942 ( 3.174 -0.397 1.827) 3.684 6.962 ( 2.150 -0.961 -0.225) 2.366 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -6.938 2.160 4.174) 8.380 0.906 ( -7.220 0.950 -2.839) 7.816 1.108 ( -2.845 3.223 4.363) 6.125 1.195 ( -2.747 3.597 -3.204) 5.545 1.486 ( -7.363 -3.611 5.471) 9.858 1.584 ( -3.060 -5.990 -2.432) 7.152 1.611 ( -3.366 -1.140 1.644) 3.916 1.637 ( -10.523 3.784 -3.307) 11.661 1.803 ( -7.463 0.449 8.838) 11.576 1.870 ( -3.928 -2.433 0.548) 4.653 2.043 ( -7.318 -0.381 6.402) 9.731 2.176 ( -3.252 1.660 0.284) 3.662 2.179 ( -0.822 0.981 0.122) 1.286 2.269 ( -6.536 0.084 -12.154) 13.800 2.585 ( -8.644 0.165 1.627) 8.797 2.626 ( -10.015 -0.542 -2.569) 10.353 2.877 ( 2.462 1.064 5.847) 6.433 2.996 ( 2.703 1.883 -7.136) 7.860 3.929 ( -5.974 0.705 2.339) 6.454 3.968 ( -7.822 1.014 -0.898) 7.938 4.021 ( -7.939 0.212 0.299) 7.947 4.083 ( -8.968 -0.261 -5.736) 10.649 4.366 ( 1.936 -0.213 0.418) 1.992 4.377 ( 4.602 -0.129 -0.910) 4.693 4.670 ( 2.515 -1.010 2.922) 3.985 4.712 ( 5.546 -0.147 -1.498) 5.747 4.955 ( 1.413 0.132 1.151) 1.827 4.970 ( 0.775 0.166 -0.054) 0.794 5.091 ( -1.939 0.154 0.812) 2.108 5.115 ( -2.925 -0.420 -1.580) 3.351 5.527 ( -2.160 -3.476 4.594) 6.152 5.566 ( -0.671 -3.450 0.771) 3.598 6.091 ( 5.097 0.719 9.198) 10.540 6.280 ( 6.346 1.267 -10.643) 12.456 7.013 ( 3.950 -0.795 1.536) 4.312 7.018 ( 3.074 -0.899 1.016) 3.360 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -2.156 7.633 4.197) 8.973 0.793 ( -2.966 3.416 -2.050) 4.967 0.987 ( -7.149 6.331 7.106) 11.903 1.140 ( -1.782 4.400 -6.935) 8.404 1.353 ( -5.290 1.798 5.160) 7.605 1.410 ( -9.159 2.413 1.007) 9.525 1.546 ( -3.655 -4.168 0.125) 5.545 1.558 ( -4.091 -3.374 -0.699) 5.349 1.697 ( -3.072 -0.184 15.933) 16.228 1.839 ( -1.225 -5.179 0.460) 5.342 1.962 ( -1.659 -3.075 -0.023) 3.494 2.122 ( -0.727 1.762 -9.894) 10.075 2.191 ( 2.457 0.201 1.450) 2.860 2.241 ( 0.675 -0.658 -6.557) 6.624 2.413 ( -8.166 0.094 -0.069) 8.167 2.430 ( -9.636 -0.412 -1.652) 9.785 2.944 ( 4.247 0.985 5.889) 7.327 3.056 ( 3.837 2.072 -6.274) 7.641 3.816 ( -6.464 0.354 0.616) 6.503 3.818 ( -5.518 0.385 0.662) 5.570 3.879 ( -6.496 0.056 -0.819) 6.548 3.898 ( -9.174 -0.242 -3.255) 9.738 4.389 ( 0.643 0.002 2.042) 2.141 4.439 ( 1.870 -0.211 -3.375) 3.865 4.744 ( 4.517 -1.353 5.975) 7.612 4.815 ( 4.613 0.167 -1.783) 4.949 4.939 ( -3.035 -0.179 0.785) 3.140 4.968 ( -1.367 -0.141 -2.114) 2.521 5.053 ( -1.027 -0.106 2.336) 2.554 5.097 ( 0.298 0.198 -2.101) 2.132 5.503 ( -2.318 -5.242 7.165) 9.175 5.573 ( -0.303 -3.220 -0.243) 3.243 6.163 ( 2.807 1.096 9.664) 10.123 6.364 ( 3.213 1.546 -11.712) 12.243 7.076 ( 2.380 -0.686 2.183) 3.301 7.092 ( 3.447 -1.538 0.791) 3.857 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.000 10.497 4.415) 11.387 0.764 ( -0.000 5.137 -5.899) 7.822 0.846 ( -0.000 7.142 14.065) 15.774 1.091 ( -0.000 4.796 -11.724) 12.667 1.274 ( -0.000 4.875 9.127) 10.348 1.331 ( 0.000 -0.048 0.814) 0.815 1.519 ( 0.000 -3.051 0.785) 3.151 1.529 ( 0.000 -3.647 -0.316) 3.661 1.673 ( -0.000 0.256 17.611) 17.613 1.860 ( 0.000 -6.175 0.775) 6.223 1.974 ( 0.000 -4.093 -3.083) 5.125 2.120 ( -0.000 1.684 -16.728) 16.813 2.250 ( 0.000 -0.666 2.733) 2.813 2.252 ( 0.000 -0.689 3.007) 3.085 2.303 ( 0.000 -0.206 -2.819) 2.827 2.327 ( 0.000 -0.174 -4.364) 4.368 2.993 ( -0.000 0.455 4.505) 4.528 3.091 ( -0.000 1.979 -5.987) 6.306 3.742 ( -0.000 0.129 0.196) 0.234 3.745 ( -0.000 0.136 -0.139) 0.195 3.797 ( -0.000 0.139 1.408) 1.415 3.823 ( -0.000 0.133 -1.242) 1.249 4.394 ( -0.000 0.152 2.512) 2.517 4.456 ( 0.000 -0.129 -4.221) 4.223 4.827 ( 0.000 -2.348 7.846) 8.190 4.864 ( -0.000 0.099 0.785) 0.791 4.880 ( -0.000 0.093 -0.856) 0.861 4.944 ( 0.000 -0.578 -4.871) 4.905 5.048 ( -0.000 0.291 3.061) 3.075 5.101 ( -0.000 0.540 -2.384) 2.445 5.505 ( 0.000 -5.910 7.967) 9.920 5.586 ( 0.000 -3.362 -0.586) 3.413 6.184 ( -0.000 1.250 9.605) 9.686 6.387 ( -0.000 1.717 -11.975) 12.098 7.103 ( 0.000 -0.735 3.080) 3.167 7.139 ( 0.000 -2.265 -0.316) 2.286 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.463 -0.000 2.539) 2.581 1.118 ( 2.042 -0.000 -2.005) 2.862 1.405 ( -5.998 0.000 7.005) 9.222 1.524 ( -0.824 0.000 -1.731) 1.917 1.548 ( -8.003 0.000 -3.113) 8.587 1.570 ( -3.392 0.000 -1.766) 3.824 1.976 ( -1.681 0.000 2.387) 2.919 2.017 ( -0.556 0.000 -2.050) 2.124 2.083 ( -7.465 0.000 10.227) 12.662 2.170 ( -2.659 0.000 -0.133) 2.662 2.273 ( -2.447 0.000 1.516) 2.878 2.291 ( -2.538 0.000 -0.215) 2.547 2.489 ( 5.473 -0.000 0.066) 5.473 2.613 ( 2.400 -0.000 -10.683) 10.950 2.922 ( -7.987 0.000 3.855) 8.868 2.985 ( -7.730 0.000 -2.863) 8.244 3.130 ( -1.264 0.000 0.290) 1.297 3.143 ( -1.580 0.000 -0.660) 1.713 3.909 ( 4.496 -0.000 3.464) 5.676 3.986 ( 5.136 -0.000 -4.703) 6.964 4.246 ( -1.605 0.000 1.102) 1.947 4.260 ( -2.773 0.000 -0.033) 2.773 4.375 ( -4.231 0.000 1.636) 4.536 4.433 ( -5.678 0.000 -4.315) 7.132 4.623 ( 0.658 -0.000 5.175) 5.217 4.710 ( 0.283 -0.000 -3.969) 3.979 4.952 ( -3.164 0.000 0.370) 3.185 4.960 ( -3.552 0.000 -0.560) 3.596 5.158 ( 0.206 -0.000 4.923) 4.927 5.238 ( -0.568 0.000 -3.917) 3.958 5.507 ( 2.628 -0.000 5.621) 6.205 5.554 ( -0.643 0.000 0.810) 1.034 5.782 ( 3.484 -0.000 -0.507) 3.521 5.818 ( 7.974 -0.000 -3.962) 8.904 6.857 ( 1.124 -0.000 3.126) 3.321 6.912 ( 0.270 -0.000 -2.520) 2.534 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -2.487 -0.130 3.343) 4.168 1.124 ( -1.824 0.038 -3.201) 3.685 1.269 ( -7.032 -0.371 7.272) 10.123 1.397 ( -7.443 -0.627 -5.235) 9.122 1.515 ( -0.821 -1.145 -0.020) 1.409 1.545 ( -0.432 -1.298 -2.179) 2.573 1.878 ( -7.718 0.319 7.378) 10.682 1.970 ( -3.934 1.552 -2.409) 4.867 1.992 ( -3.028 -0.747 5.697) 6.494 2.095 ( -5.172 0.819 -3.107) 6.089 2.221 ( -3.347 0.730 0.831) 3.525 2.227 ( -3.088 -0.607 0.272) 3.159 2.560 ( -0.297 -0.006 2.830) 2.845 2.656 ( 1.215 -0.119 -6.379) 6.495 2.741 ( -8.572 0.356 2.464) 8.926 2.783 ( -12.305 0.215 -1.846) 12.445 3.076 ( -5.641 0.213 -0.375) 5.658 3.088 ( -3.437 0.263 -2.319) 4.154 4.006 ( 4.777 0.075 4.113) 6.304 4.098 ( 5.428 0.115 -5.649) 7.835 4.211 ( -2.083 0.012 1.999) 2.887 4.222 ( -0.236 -0.014 0.819) 0.852 4.299 ( -3.564 -0.086 -0.790) 3.652 4.328 ( -5.403 -0.022 -4.090) 6.776 4.617 ( -0.855 -0.024 4.737) 4.814 4.692 ( -1.967 -0.136 -3.246) 3.798 4.914 ( -0.994 -0.048 0.280) 1.034 4.920 ( -0.080 -0.116 -0.161) 0.214 5.152 ( -0.855 -0.012 3.982) 4.072 5.218 ( -1.635 -0.034 -3.264) 3.651 5.540 ( 0.511 -0.306 2.858) 2.919 5.546 ( -0.356 -0.451 2.129) 2.205 5.871 ( 5.667 -0.010 4.319) 7.125 5.981 ( 9.005 0.136 -6.672) 11.208 6.888 ( 2.135 -0.073 2.209) 3.073 6.924 ( 0.978 -0.247 -1.401) 1.726 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -6.710 -0.737 3.407) 7.561 1.042 ( -6.547 -0.526 -3.906) 7.642 1.182 ( -1.751 2.198 6.370) 6.962 1.289 ( -4.071 0.353 -4.149) 5.823 1.493 ( -2.982 -3.779 1.574) 5.065 1.543 ( -1.332 -3.488 -2.889) 4.720 1.731 ( -7.053 0.929 9.364) 11.760 1.858 ( -6.852 2.907 -4.558) 8.727 1.930 ( -4.343 -1.261 2.324) 5.085 1.967 ( -7.609 1.139 -0.906) 7.747 2.143 ( -4.090 -0.135 3.666) 5.494 2.194 ( -1.049 -0.178 -0.800) 1.332 2.382 ( -13.485 1.466 4.419) 14.266 2.492 ( -14.014 0.364 -5.876) 15.201 2.692 ( -1.877 0.041 0.664) 1.992 2.707 ( 0.709 -0.327 -0.600) 0.984 2.938 ( -7.430 0.440 2.118) 7.738 3.015 ( -2.848 0.729 -6.131) 6.799 4.029 ( -2.701 0.342 3.658) 4.560 4.102 ( -4.293 0.537 -3.222) 5.394 4.156 ( -5.470 0.084 1.463) 5.663 4.221 ( -5.874 -0.021 -3.808) 7.000 4.275 ( 5.184 0.034 -0.018) 5.184 4.306 ( 3.968 -0.074 -2.207) 4.541 4.620 ( 2.118 0.053 2.555) 3.319 4.656 ( -1.351 -0.732 -1.293) 2.008 4.921 ( 1.513 -0.091 1.233) 1.954 4.942 ( 1.908 -0.004 -0.484) 1.968 5.127 ( -1.694 0.041 2.630) 3.129 5.174 ( -3.065 -0.123 -2.505) 3.961 5.531 ( -1.475 -0.974 2.963) 3.450 5.542 ( -0.697 -1.509 1.853) 2.489 5.987 ( 6.326 0.161 7.792) 10.038 6.149 ( 8.596 0.437 -8.956) 12.422 6.939 ( 3.154 -0.139 1.443) 3.471 6.954 ( 2.128 -0.598 -0.002) 2.210 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -4.496 1.939 2.543) 5.517 0.914 ( -6.208 0.601 -3.358) 7.083 1.147 ( -1.407 4.710 5.636) 7.479 1.228 ( -1.677 2.811 -1.459) 3.584 1.433 ( -5.949 -6.125 4.073) 9.460 1.522 ( -3.647 -6.068 -4.244) 8.255 1.611 ( -5.210 0.815 6.360) 8.262 1.681 ( -9.404 4.211 -3.061) 10.749 1.810 ( -7.829 0.891 3.985) 8.829 1.846 ( -5.135 -2.422 -0.112) 5.679 2.038 ( -7.788 -0.541 8.562) 11.587 2.183 ( -0.890 0.337 1.098) 1.452 2.194 ( -3.388 1.352 -0.317) 3.662 2.270 ( -7.321 0.165 -11.759) 13.852 2.587 ( -8.571 0.149 1.163) 8.651 2.621 ( -9.902 -0.521 -2.356) 10.192 2.886 ( 2.416 0.732 6.313) 6.799 3.012 ( 2.776 1.286 -7.291) 7.907 3.935 ( -6.043 0.523 2.547) 6.579 3.977 ( -8.065 0.738 -0.591) 8.120 4.023 ( -7.861 0.252 -0.360) 7.873 4.079 ( -9.281 -0.393 -5.405) 10.748 4.365 ( 1.975 -0.132 0.406) 2.021 4.376 ( 4.500 -0.091 -0.988) 4.608 4.661 ( 2.289 -0.709 3.550) 4.283 4.711 ( 5.964 -0.111 -1.644) 6.188 4.957 ( 1.671 0.174 1.146) 2.034 4.972 ( 0.659 0.131 -0.038) 0.673 5.093 ( -1.948 0.260 0.397) 2.005 5.110 ( -3.111 -0.618 -1.297) 3.427 5.495 ( -3.017 -2.850 5.511) 6.899 5.541 ( -0.270 -1.786 0.723) 1.946 6.097 ( 5.251 0.492 9.471) 10.840 6.290 ( 6.418 0.818 -10.829) 12.615 7.007 ( 3.777 -0.432 1.362) 4.038 7.010 ( 3.261 -0.627 0.962) 3.457 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.287 6.316 1.277) 6.450 0.825 ( -1.762 2.926 -1.549) 3.751 1.047 ( -6.276 6.067 7.983) 11.829 1.188 ( -1.141 5.541 -4.773) 7.401 1.356 ( -2.704 -1.423 4.825) 5.711 1.421 ( -8.341 -1.142 0.143) 8.420 1.513 ( -4.246 -2.033 2.056) 5.137 1.539 ( -4.765 0.152 -0.917) 4.855 1.691 ( -3.785 -1.105 11.491) 12.148 1.790 ( -2.249 -4.757 -0.364) 5.274 1.934 ( -2.873 -2.508 2.898) 4.789 2.139 ( -0.806 1.474 -9.140) 9.293 2.194 ( 2.070 0.264 1.392) 2.508 2.235 ( 0.643 -0.582 -6.446) 6.504 2.414 ( -8.361 0.085 -0.468) 8.374 2.426 ( -9.571 -0.433 -1.556) 9.706 2.953 ( 4.020 0.751 6.661) 7.816 3.074 ( 3.702 1.579 -6.419) 7.576 3.820 ( -6.753 0.306 0.677) 6.794 3.822 ( -5.780 0.311 0.735) 5.835 3.880 ( -6.976 0.141 -1.048) 7.055 3.895 ( -8.459 -0.388 -2.759) 8.906 4.390 ( 0.808 0.066 1.911) 2.075 4.437 ( 1.979 -0.096 -3.383) 3.921 4.732 ( 4.280 -1.119 7.157) 8.413 4.816 ( 4.572 0.095 -2.036) 5.006 4.938 ( -3.347 -0.038 0.612) 3.403 4.967 ( -1.649 -0.123 -2.367) 2.888 5.052 ( -0.807 -0.142 2.443) 2.576 5.098 ( 0.498 -0.068 -2.217) 2.273 5.456 ( -2.471 -4.013 8.940) 10.106 5.548 ( -0.043 -2.048 -0.833) 2.211 6.172 ( 2.901 0.850 9.890) 10.341 6.377 ( 3.203 1.093 -11.840) 12.314 7.071 ( 2.503 -0.387 1.703) 3.052 7.080 ( 3.218 -1.001 1.047) 3.529 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.000 8.463 1.886) 8.671 0.813 ( -0.000 4.878 -4.140) 6.398 0.917 ( -0.000 7.265 12.715) 14.644 1.141 ( -0.000 5.288 -10.681) 11.919 1.324 ( -0.000 4.738 8.255) 9.518 1.337 ( -0.000 2.009 3.324) 3.884 1.485 ( 0.000 -3.907 0.361) 3.924 1.491 ( 0.000 -3.955 -0.245) 3.963 1.669 ( 0.000 -1.332 14.709) 14.769 1.799 ( 0.000 -6.055 0.101) 6.056 1.933 ( 0.000 -4.097 -1.382) 4.323 2.137 ( -0.000 1.704 -16.676) 16.763 2.243 ( 0.000 -0.618 2.988) 3.051 2.246 ( 0.000 -0.491 3.298) 3.334 2.301 ( 0.000 -0.201 -3.020) 3.026 2.325 ( 0.000 -0.232 -4.360) 4.367 2.998 ( -0.000 0.463 5.768) 5.786 3.108 ( -0.000 1.558 -6.077) 6.273 3.744 ( -0.000 0.122 0.189) 0.225 3.747 ( -0.000 0.128 -0.153) 0.199 3.799 ( -0.000 0.131 1.393) 1.399 3.824 ( -0.000 0.125 -1.251) 1.257 4.396 ( -0.000 0.232 2.371) 2.382 4.455 ( -0.000 0.024 -4.193) 4.193 4.804 ( 0.000 -2.178 9.230) 9.483 4.865 ( -0.000 0.093 0.780) 0.785 4.881 ( -0.000 0.088 -0.855) 0.859 4.938 ( 0.000 -0.503 -5.373) 5.397 5.050 ( -0.000 0.196 3.029) 3.035 5.104 ( -0.000 0.226 -2.513) 2.523 5.452 ( 0.000 -4.746 10.049) 11.114 5.558 ( 0.000 -2.363 -1.329) 2.711 6.195 ( -0.000 1.087 9.836) 9.895 6.401 ( -0.000 1.309 -12.103) 12.173 7.098 ( 0.000 -0.420 2.365) 2.402 7.120 ( 0.000 -1.540 0.356) 1.581 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -6.389 0.000 3.347) 7.213 1.039 ( -6.469 0.000 -4.060) 7.638 1.195 ( -1.024 0.000 6.184) 6.268 1.290 ( -3.829 0.000 -3.052) 4.897 1.474 ( -3.391 0.000 1.108) 3.568 1.524 ( -1.654 0.000 -3.204) 3.606 1.735 ( -7.016 0.000 9.900) 12.134 1.875 ( -6.791 0.000 -5.940) 9.022 1.922 ( -4.565 0.000 3.808) 5.945 1.973 ( -7.628 0.000 -1.675) 7.810 2.142 ( -4.259 0.000 3.800) 5.708 2.193 ( -0.937 0.000 -0.722) 1.183 2.389 ( -13.420 0.000 4.210) 14.065 2.494 ( -13.963 0.000 -5.618) 15.051 2.692 ( -1.896 0.000 0.531) 1.969 2.705 ( 0.609 -0.000 -0.545) 0.817 2.941 ( -7.382 0.000 2.214) 7.707 3.018 ( -2.782 0.000 -6.166) 6.765 4.031 ( -2.668 0.000 3.709) 4.569 4.105 ( -4.230 0.000 -3.209) 5.310 4.157 ( -5.456 0.000 1.378) 5.627 4.221 ( -5.895 0.000 -3.787) 7.006 4.275 ( 5.172 -0.000 -0.025) 5.172 4.305 ( 3.974 -0.000 -2.172) 4.529 4.621 ( 2.282 -0.000 2.355) 3.279 4.652 ( -1.559 0.000 -1.057) 1.884 4.921 ( 1.548 -0.000 1.250) 1.989 4.942 ( 1.964 -0.000 -0.511) 2.029 5.127 ( -1.669 0.000 2.608) 3.096 5.174 ( -3.109 0.000 -2.458) 3.963 5.525 ( -1.914 0.000 2.929) 3.499 5.535 ( -0.509 0.000 1.982) 2.046 5.987 ( 6.377 -0.000 7.900) 10.153 6.151 ( 8.639 -0.000 -9.000) 12.475 6.938 ( 3.174 -0.000 1.262) 3.416 6.951 ( 2.098 -0.000 0.122) 2.102 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -3.154 0.782 1.526) 3.590 0.917 ( -5.588 0.176 -3.346) 6.515 1.195 ( 0.597 4.660 5.184) 6.996 1.239 ( -1.365 -1.026 2.141) 2.739 1.387 ( -6.068 -2.564 2.495) 7.044 1.475 ( -4.540 -2.914 -5.572) 7.756 1.618 ( -5.445 0.423 8.850) 10.399 1.713 ( -9.014 1.924 -2.893) 9.660 1.817 ( -7.358 0.582 0.498) 7.397 1.826 ( -6.598 -1.419 -0.441) 6.763 2.034 ( -8.037 -0.256 10.052) 12.873 2.185 ( -0.520 0.095 1.102) 1.222 2.203 ( -3.840 0.483 -0.143) 3.873 2.272 ( -7.737 0.080 -11.463) 13.830 2.588 ( -8.511 0.078 0.842) 8.553 2.617 ( -9.854 -0.232 -2.196) 10.098 2.891 ( 2.377 0.259 6.571) 6.992 3.021 ( 2.813 0.455 -7.374) 7.905 3.939 ( -6.074 0.196 2.686) 6.645 3.982 ( -8.235 0.263 -0.286) 8.244 4.025 ( -7.734 0.141 -0.971) 7.796 4.076 ( -9.538 -0.209 -5.134) 10.834 4.364 ( 2.008 -0.043 0.396) 2.047 4.376 ( 4.452 -0.032 -1.027) 4.569 4.656 ( 2.195 -0.255 3.905) 4.487 4.710 ( 6.170 -0.041 -1.719) 6.405 4.958 ( 1.891 0.082 1.143) 2.211 4.973 ( 0.529 0.046 0.012) 0.531 5.096 ( -1.502 0.304 -0.065) 1.534 5.104 ( -3.699 -0.468 -0.960) 3.850 5.476 ( -3.274 -1.047 6.193) 7.083 5.530 ( -0.179 -0.571 0.474) 0.764 6.100 ( 5.330 0.174 9.611) 10.992 6.296 ( 6.449 0.282 -10.912) 12.678 7.004 ( 3.537 -0.083 1.282) 3.763 7.006 ( 3.541 -0.272 0.920) 3.668 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.243 3.110 -0.559) 3.169 0.849 ( -0.014 2.013 -1.468) 2.491 1.103 ( -6.715 5.040 9.282) 12.516 1.246 ( -0.125 6.016 -2.741) 6.612 1.329 ( 0.446 -3.403 3.728) 5.067 1.385 ( -5.385 -5.469 -2.209) 7.987 1.509 ( -5.820 0.564 6.087) 8.441 1.558 ( -6.508 2.666 -0.658) 7.064 1.678 ( -5.272 -1.356 6.062) 8.147 1.750 ( -2.890 -3.377 -1.326) 4.638 1.915 ( -3.614 -1.370 6.194) 7.301 2.150 ( -0.844 0.848 -8.615) 8.698 2.196 ( 1.839 0.181 1.393) 2.314 2.230 ( 0.600 -0.347 -6.337) 6.374 2.415 ( -8.512 0.162 -0.839) 8.555 2.422 ( -9.455 -0.375 -1.426) 9.569 2.959 ( 3.860 0.390 7.197) 8.177 3.086 ( 3.575 0.845 -6.512) 7.477 3.822 ( -7.162 0.186 0.708) 7.200 3.824 ( -5.780 0.165 0.814) 5.839 3.881 ( -7.858 0.226 -1.423) 7.989 3.891 ( -7.351 -0.404 -2.198) 7.683 4.391 ( 0.932 0.064 1.829) 2.054 4.437 ( 2.084 -0.021 -3.386) 3.976 4.723 ( 4.072 -0.636 7.928) 8.935 4.817 ( 4.551 0.042 -2.214) 5.061 4.938 ( -3.612 0.021 0.466) 3.642 4.965 ( -1.827 -0.094 -2.512) 3.108 5.051 ( -0.657 -0.095 2.433) 2.522 5.097 ( 0.678 -0.114 -2.248) 2.351 5.427 ( -2.345 -2.063 10.003) 10.479 5.533 ( 0.055 -1.022 -1.343) 1.689 6.179 ( 2.960 0.458 10.030) 10.468 6.385 ( 3.182 0.559 -11.865) 12.297 7.068 ( 2.631 -0.111 1.357) 2.962 7.073 ( 3.097 -0.518 1.224) 3.370 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.000 4.685 0.734) 4.742 0.857 ( -0.000 4.010 -3.461) 5.297 0.982 ( -0.000 5.799 11.797) 13.145 1.191 ( -0.000 4.734 -9.898) 10.972 1.350 ( -0.000 2.375 9.673) 9.960 1.381 ( -0.000 4.938 4.415) 6.624 1.445 ( 0.000 -3.909 0.365) 3.926 1.454 ( 0.000 -3.424 -0.568) 3.470 1.647 ( 0.000 -2.849 9.535) 9.951 1.745 ( 0.000 -4.836 -0.718) 4.889 1.899 ( 0.000 -2.766 2.108) 3.478 2.151 ( -0.000 1.226 -16.830) 16.874 2.238 ( 0.000 -0.434 3.194) 3.224 2.243 ( 0.000 -0.275 3.764) 3.774 2.299 ( 0.000 -0.146 -3.180) 3.183 2.323 ( 0.000 -0.123 -4.273) 4.274 3.001 ( -0.000 0.291 6.718) 6.724 3.121 ( -0.000 0.972 -6.086) 6.163 3.745 ( -0.000 0.087 0.183) 0.203 3.748 ( -0.000 0.091 -0.164) 0.187 3.800 ( -0.000 0.093 1.380) 1.383 3.825 ( -0.000 0.088 -1.258) 1.261 4.399 ( -0.000 0.218 2.281) 2.291 4.456 ( -0.000 0.106 -4.187) 4.188 4.786 ( 0.000 -1.536 10.216) 10.331 4.866 ( -0.000 0.066 0.776) 0.779 4.882 ( -0.000 0.062 -0.854) 0.856 4.934 ( 0.000 -0.368 -5.891) 5.902 5.052 ( -0.000 0.094 2.953) 2.954 5.105 ( -0.000 0.043 -2.527) 2.527 5.415 ( 0.000 -2.838 11.249) 11.602 5.540 ( 0.000 -1.433 -2.004) 2.464 6.204 ( -0.000 0.724 9.993) 10.019 6.412 ( -0.000 0.799 -12.078) 12.105 7.095 ( 0.000 -0.125 1.804) 1.809 7.109 ( 0.000 -0.872 0.772) 1.165 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -1.321 0.000 -0.545) 1.429 0.860 ( 1.634 -0.000 -2.061) 2.630 1.132 ( -7.980 0.000 10.198) 12.949 1.283 ( 4.507 -0.000 0.694) 4.560 1.319 ( 1.005 -0.000 3.660) 3.796 1.338 ( -7.141 0.000 -6.469) 9.636 1.513 ( -6.057 0.000 8.053) 10.077 1.573 ( -6.966 0.000 -0.319) 6.973 1.670 ( -6.125 0.000 3.279) 6.948 1.731 ( -3.119 0.000 -2.018) 3.715 1.908 ( -3.819 0.000 7.708) 8.603 2.154 ( -0.860 0.000 -8.426) 8.470 2.197 ( 1.765 -0.000 1.403) 2.255 2.228 ( 0.582 -0.000 -6.289) 6.316 2.417 ( -8.394 0.000 -1.069) 8.462 2.419 ( -9.570 0.000 -1.291) 9.656 2.960 ( 3.801 -0.000 7.390) 8.310 3.090 ( 3.523 -0.000 -6.545) 7.433 3.823 ( -7.409 0.000 0.713) 7.443 3.825 ( -5.684 0.000 0.853) 5.748 3.883 ( -9.070 0.000 -1.794) 9.245 3.889 ( -6.046 0.000 -1.764) 6.298 4.391 ( 0.979 -0.000 1.802) 2.051 4.437 ( 2.128 -0.000 -3.387) 4.000 4.720 ( 3.990 -0.000 8.193) 9.112 4.817 ( 4.544 -0.000 -2.280) 5.083 4.938 ( -3.722 0.000 0.406) 3.744 4.965 ( -1.883 0.000 -2.556) 3.175 5.050 ( -0.606 0.000 2.416) 2.491 5.096 ( 0.754 -0.000 -2.245) 2.368 5.417 ( -2.270 0.000 10.340) 10.586 5.528 ( 0.084 -0.000 -1.528) 1.530 6.181 ( 2.980 -0.000 10.077) 10.509 6.388 ( 3.172 -0.000 -11.865) 12.281 7.068 ( 2.661 -0.000 1.123) 2.888 7.070 ( 3.082 -0.000 1.399) 3.385 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 1.362 0.730) 1.545 0.886 ( -0.000 1.603 -3.675) 4.009 1.023 ( -0.000 2.332 11.415) 11.651 1.227 ( -0.000 2.192 -9.669) 9.915 1.372 ( -0.000 1.576 12.789) 12.886 1.415 ( 0.000 -1.857 0.589) 1.948 1.417 ( -0.000 1.987 4.225) 4.669 1.429 ( 0.000 -1.536 -0.864) 1.762 1.624 ( 0.000 -1.463 4.817) 5.034 1.709 ( 0.000 -2.262 -2.083) 3.075 1.881 ( 0.000 -0.893 5.322) 5.396 2.160 ( -0.000 0.438 -17.061) 17.067 2.235 ( 0.000 -0.156 3.309) 3.313 2.241 ( 0.000 -0.084 4.200) 4.200 2.298 ( 0.000 -0.053 -3.268) 3.268 2.323 ( 0.000 -0.025 -4.209) 4.209 3.003 ( -0.000 0.092 7.231) 7.232 3.127 ( -0.000 0.328 -6.084) 6.093 3.745 ( -0.000 0.032 0.180) 0.182 3.748 ( -0.000 0.033 -0.169) 0.172 3.800 ( -0.000 0.034 1.372) 1.372 3.826 ( -0.000 0.032 -1.262) 1.263 4.400 ( -0.000 0.090 2.240) 2.242 4.457 ( -0.000 0.057 -4.193) 4.193 4.776 ( 0.000 -0.554 10.697) 10.712 4.867 ( -0.000 0.024 0.774) 0.774 4.882 ( -0.000 0.022 -0.854) 0.854 4.932 ( 0.000 -0.142 -6.225) 6.227 5.052 ( -0.000 0.027 2.912) 2.913 5.106 ( 0.000 -0.002 -2.487) 2.487 5.397 ( 0.000 -0.925 11.750) 11.786 5.530 ( 0.000 -0.480 -2.362) 2.410 6.209 ( -0.000 0.252 10.071) 10.074 6.417 ( -0.000 0.267 -12.032) 12.035 7.095 ( -0.000 0.012 1.444) 1.444 7.103 ( 0.000 -0.304 1.038) 1.081 =================== 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 3/30420 10.0 44.349 31.796 38.592 0.000 0.000 -0.000 3/30420 20.0 15.677 5.679 8.403 0.000 0.000 -0.000 3/30420 30.0 10.700 2.997 5.202 0.000 0.000 -0.000 3/30420 40.0 8.337 2.073 3.956 0.000 0.000 -0.000 3/30420 50.0 6.858 1.598 3.231 0.000 0.000 -0.000 3/30420 60.0 5.832 1.308 2.750 0.000 0.000 -0.000 3/30420 70.0 5.078 1.112 2.405 0.000 0.000 -0.000 3/30420 80.0 4.501 0.969 2.144 0.000 0.000 -0.000 3/30420 90.0 4.043 0.860 1.938 0.000 0.000 -0.000 3/30420 100.0 3.672 0.774 1.771 0.000 0.000 -0.000 3/30420 110.0 3.363 0.705 1.631 0.000 0.000 -0.000 3/30420 120.0 3.104 0.647 1.512 0.000 0.000 -0.000 3/30420 130.0 2.881 0.598 1.410 0.000 0.000 -0.000 3/30420 140.0 2.689 0.556 1.321 0.000 0.000 -0.000 3/30420 150.0 2.521 0.520 1.243 0.000 0.000 -0.000 3/30420 160.0 2.372 0.488 1.173 0.000 0.000 -0.000 3/30420 170.0 2.241 0.460 1.111 0.000 0.000 -0.000 3/30420 180.0 2.123 0.435 1.055 0.000 0.000 -0.000 3/30420 190.0 2.017 0.412 1.005 0.000 0.000 -0.000 3/30420 200.0 1.921 0.392 0.959 0.000 0.000 -0.000 3/30420 210.0 1.833 0.374 0.917 0.000 0.000 -0.000 3/30420 220.0 1.754 0.357 0.878 0.000 0.000 -0.000 3/30420 230.0 1.681 0.342 0.843 0.000 0.000 -0.000 3/30420 240.0 1.613 0.328 0.810 0.000 0.000 -0.000 3/30420 250.0 1.551 0.315 0.780 0.000 0.000 -0.000 3/30420 260.0 1.494 0.303 0.752 0.000 0.000 -0.000 3/30420 270.0 1.440 0.292 0.726 0.000 0.000 -0.000 3/30420 280.0 1.391 0.282 0.702 0.000 0.000 -0.000 3/30420 290.0 1.344 0.272 0.679 0.000 0.000 -0.000 3/30420 300.0 1.301 0.263 0.657 0.000 0.000 -0.000 3/30420 310.0 1.260 0.255 0.637 0.000 0.000 -0.000 3/30420 320.0 1.222 0.247 0.618 0.000 0.000 -0.000 3/30420 330.0 1.186 0.240 0.601 0.000 0.000 -0.000 3/30420 340.0 1.152 0.233 0.584 0.000 0.000 -0.000 3/30420 350.0 1.120 0.226 0.568 0.000 0.000 -0.000 3/30420 360.0 1.090 0.220 0.553 0.000 0.000 -0.000 3/30420 370.0 1.061 0.214 0.539 0.000 0.000 -0.000 3/30420 380.0 1.034 0.209 0.525 0.000 0.000 -0.000 3/30420 390.0 1.008 0.203 0.512 0.000 0.000 -0.000 3/30420 400.0 0.984 0.198 0.500 0.000 0.000 -0.000 3/30420 410.0 0.960 0.193 0.488 0.000 0.000 -0.000 3/30420 420.0 0.938 0.189 0.477 0.000 0.000 -0.000 3/30420 430.0 0.917 0.185 0.466 0.000 0.000 -0.000 3/30420 440.0 0.896 0.180 0.456 0.000 0.000 -0.000 3/30420 450.0 0.877 0.176 0.446 0.000 0.000 -0.000 3/30420 460.0 0.858 0.173 0.437 0.000 0.000 -0.000 3/30420 470.0 0.840 0.169 0.428 0.000 0.000 -0.000 3/30420 480.0 0.823 0.166 0.419 0.000 0.000 -0.000 3/30420 490.0 0.806 0.162 0.411 0.000 0.000 -0.000 3/30420 500.0 0.791 0.159 0.403 0.000 0.000 -0.000 3/30420 510.0 0.775 0.156 0.395 0.000 0.000 -0.000 3/30420 520.0 0.761 0.153 0.388 0.000 0.000 -0.000 3/30420 530.0 0.747 0.150 0.381 0.000 0.000 -0.000 3/30420 540.0 0.733 0.147 0.374 0.000 0.000 -0.000 3/30420 550.0 0.720 0.145 0.367 0.000 0.000 -0.000 3/30420 560.0 0.707 0.142 0.361 0.000 0.000 -0.000 3/30420 570.0 0.695 0.140 0.355 0.000 0.000 -0.000 3/30420 580.0 0.683 0.137 0.349 0.000 0.000 -0.000 3/30420 590.0 0.672 0.135 0.343 0.000 0.000 -0.000 3/30420 600.0 0.661 0.133 0.338 0.000 0.000 -0.000 3/30420 610.0 0.650 0.130 0.332 0.000 0.000 -0.000 3/30420 620.0 0.640 0.128 0.327 0.000 0.000 -0.000 3/30420 630.0 0.630 0.126 0.322 0.000 0.000 -0.000 3/30420 640.0 0.620 0.124 0.317 0.000 0.000 -0.000 3/30420 650.0 0.611 0.123 0.312 0.000 0.000 -0.000 3/30420 660.0 0.602 0.121 0.308 0.000 0.000 -0.000 3/30420 670.0 0.593 0.119 0.303 0.000 0.000 -0.000 3/30420 680.0 0.584 0.117 0.299 0.000 0.000 -0.000 3/30420 690.0 0.576 0.115 0.295 0.000 0.000 -0.000 3/30420 700.0 0.568 0.114 0.290 0.000 0.000 -0.000 3/30420 710.0 0.560 0.112 0.286 0.000 0.000 -0.000 3/30420 720.0 0.552 0.111 0.283 0.000 0.000 -0.000 3/30420 730.0 0.545 0.109 0.279 0.000 0.000 -0.000 3/30420 740.0 0.538 0.108 0.275 0.000 0.000 -0.000 3/30420 750.0 0.530 0.106 0.272 0.000 0.000 -0.000 3/30420 760.0 0.524 0.105 0.268 0.000 0.000 -0.000 3/30420 770.0 0.517 0.104 0.265 0.000 0.000 -0.000 3/30420 780.0 0.510 0.102 0.261 0.000 0.000 -0.000 3/30420 790.0 0.504 0.101 0.258 0.000 0.000 -0.000 3/30420 800.0 0.498 0.100 0.255 0.000 0.000 -0.000 3/30420 810.0 0.492 0.098 0.252 0.000 0.000 -0.000 3/30420 820.0 0.486 0.097 0.249 0.000 0.000 -0.000 3/30420 830.0 0.480 0.096 0.246 0.000 0.000 -0.000 3/30420 840.0 0.474 0.095 0.243 0.000 0.000 -0.000 3/30420 850.0 0.469 0.094 0.240 0.000 0.000 -0.000 3/30420 860.0 0.463 0.093 0.237 0.000 0.000 -0.000 3/30420 870.0 0.458 0.092 0.235 0.000 0.000 -0.000 3/30420 880.0 0.453 0.091 0.232 0.000 0.000 -0.000 3/30420 890.0 0.448 0.090 0.230 0.000 0.000 -0.000 3/30420 900.0 0.443 0.089 0.227 0.000 0.000 -0.000 3/30420 910.0 0.438 0.088 0.225 0.000 0.000 -0.000 3/30420 920.0 0.433 0.087 0.222 0.000 0.000 -0.000 3/30420 930.0 0.429 0.086 0.220 0.000 0.000 -0.000 3/30420 940.0 0.424 0.085 0.218 0.000 0.000 -0.000 3/30420 950.0 0.420 0.084 0.215 0.000 0.000 -0.000 3/30420 960.0 0.416 0.083 0.213 0.000 0.000 -0.000 3/30420 970.0 0.411 0.082 0.211 0.000 0.000 -0.000 3/30420 980.0 0.407 0.081 0.209 0.000 0.000 -0.000 3/30420 990.0 0.403 0.081 0.207 0.000 0.000 -0.000 3/30420 1000.0 0.399 0.080 0.205 0.000 0.000 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:49:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|