----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:37:18]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.043672790425049 0.000000000000000 0.000000000000000 b 0.000000000000000 3.562546590000000 0.000000000000000 c -1.129284261922380 0.000000000000000 8.950580239705390 Atomic positions (fractional): *1 S 0.88342243119870 0.75000000000000 0.67520193637212 32.065 2 S 0.11657756880130 0.25000000000000 0.32479806362788 32.065 *3 S 0.23789183366871 0.25000000000000 0.94605034332161 32.065 4 S 0.76210816633129 0.75000000000000 0.05394965667839 32.065 *5 S 0.52939670411921 0.25000000000000 0.32465943891705 32.065 6 S 0.47060329588079 0.75000000000000 0.67534056108295 32.065 *7 Hf 0.28418989437729 0.75000000000000 0.15289441210670 178.490 8 Hf 0.71581010562271 0.25000000000000 0.84710558789330 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.043672790425049 0.000000000000000 0.000000000000000 b 0.000000000000000 3.562546590000000 0.000000000000000 c -1.129284261922380 0.000000000000000 8.950580239705390 Atomic positions (fractional): *1 S 0.88342243119870 0.75000000000000 0.67520193637212 32.065 > 1 2 S 0.11657756880130 0.25000000000000 0.32479806362788 32.065 > 2 *3 S 0.23789183366871 0.25000000000000 0.94605034332161 32.065 > 3 4 S 0.76210816633129 0.75000000000000 0.05394965667839 32.065 > 4 *5 S 0.52939670411921 0.25000000000000 0.32465943891705 32.065 > 5 6 S 0.47060329588080 0.75000000000000 0.67534056108295 32.065 > 6 *7 Hf 0.28418989437729 0.75000000000000 0.15289441210670 178.490 > 7 8 Hf 0.71581010562271 0.25000000000000 0.84710558789330 178.490 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.131018371275147 0.000000000000000 0.000000000000000 b 0.000000000000000 10.687639770000001 0.000000000000000 c -2.258568523844760 0.000000000000000 17.901160479410780 Atomic positions (fractional): *1 S 0.29447414373290 0.25000000000000 0.33760096818606 32.065 > 1 2 S 0.62780747706623 0.25000000000000 0.33760096818606 32.065 > 1 3 S 0.96114081039957 0.25000000000000 0.33760096818606 32.065 > 1 4 S 0.29447414373290 0.58333333333333 0.33760096818606 32.065 > 1 5 S 0.62780747706623 0.58333333333333 0.33760096818606 32.065 > 1 6 S 0.96114081039957 0.58333333333333 0.33760096818606 32.065 > 1 7 S 0.29447414373290 0.91666666666667 0.33760096818606 32.065 > 1 8 S 0.62780747706623 0.91666666666667 0.33760096818606 32.065 > 1 9 S 0.96114081039957 0.91666666666667 0.33760096818606 32.065 > 1 10 S 0.29447414373290 0.25000000000000 0.83760096818606 32.065 > 1 11 S 0.62780747706623 0.25000000000000 0.83760096818606 32.065 > 1 12 S 0.96114081039957 0.25000000000000 0.83760096818606 32.065 > 1 13 S 0.29447414373290 0.58333333333333 0.83760096818606 32.065 > 1 14 S 0.62780747706623 0.58333333333333 0.83760096818606 32.065 > 1 15 S 0.96114081039957 0.58333333333333 0.83760096818606 32.065 > 1 16 S 0.29447414373290 0.91666666666667 0.83760096818606 32.065 > 1 17 S 0.62780747706623 0.91666666666667 0.83760096818606 32.065 > 1 18 S 0.96114081039957 0.91666666666667 0.83760096818606 32.065 > 1 19 S 0.03885918960043 0.08333333333333 0.16239903181394 32.065 > 2 20 S 0.37219252293377 0.08333333333333 0.16239903181394 32.065 > 2 21 S 0.70552585626710 0.08333333333333 0.16239903181394 32.065 > 2 22 S 0.03885918960043 0.41666666666667 0.16239903181394 32.065 > 2 23 S 0.37219252293377 0.41666666666667 0.16239903181394 32.065 > 2 24 S 0.70552585626710 0.41666666666667 0.16239903181394 32.065 > 2 25 S 0.03885918960043 0.75000000000000 0.16239903181394 32.065 > 2 26 S 0.37219252293377 0.75000000000000 0.16239903181394 32.065 > 2 27 S 0.70552585626710 0.75000000000000 0.16239903181394 32.065 > 2 28 S 0.03885918960043 0.08333333333333 0.66239903181394 32.065 > 2 29 S 0.37219252293377 0.08333333333333 0.66239903181394 32.065 > 2 30 S 0.70552585626710 0.08333333333333 0.66239903181394 32.065 > 2 31 S 0.03885918960043 0.41666666666667 0.66239903181394 32.065 > 2 32 S 0.37219252293377 0.41666666666667 0.66239903181394 32.065 > 2 33 S 0.70552585626710 0.41666666666667 0.66239903181394 32.065 > 2 34 S 0.03885918960043 0.75000000000000 0.66239903181394 32.065 > 2 35 S 0.37219252293377 0.75000000000000 0.66239903181394 32.065 > 2 36 S 0.70552585626710 0.75000000000000 0.66239903181394 32.065 > 2 *37 S 0.07929727788957 0.08333333333333 0.47302517166080 32.065 > 3 38 S 0.41263061122290 0.08333333333333 0.47302517166080 32.065 > 3 39 S 0.74596394455624 0.08333333333333 0.47302517166080 32.065 > 3 40 S 0.07929727788957 0.41666666666667 0.47302517166080 32.065 > 3 41 S 0.41263061122290 0.41666666666667 0.47302517166080 32.065 > 3 42 S 0.74596394455624 0.41666666666667 0.47302517166080 32.065 > 3 43 S 0.07929727788957 0.75000000000000 0.47302517166080 32.065 > 3 44 S 0.41263061122290 0.75000000000000 0.47302517166080 32.065 > 3 45 S 0.74596394455624 0.75000000000000 0.47302517166080 32.065 > 3 46 S 0.07929727788957 0.08333333333333 0.97302517166080 32.065 > 3 47 S 0.41263061122290 0.08333333333333 0.97302517166080 32.065 > 3 48 S 0.74596394455624 0.08333333333333 0.97302517166080 32.065 > 3 49 S 0.07929727788957 0.41666666666667 0.97302517166080 32.065 > 3 50 S 0.41263061122290 0.41666666666667 0.97302517166080 32.065 > 3 51 S 0.74596394455624 0.41666666666667 0.97302517166080 32.065 > 3 52 S 0.07929727788957 0.75000000000000 0.97302517166080 32.065 > 3 53 S 0.41263061122290 0.75000000000000 0.97302517166080 32.065 > 3 54 S 0.74596394455624 0.75000000000000 0.97302517166080 32.065 > 3 55 S 0.25403605544376 0.25000000000000 0.02697482833920 32.065 > 4 56 S 0.58736938877710 0.25000000000000 0.02697482833920 32.065 > 4 57 S 0.92070272211043 0.25000000000000 0.02697482833920 32.065 > 4 58 S 0.25403605544376 0.58333333333333 0.02697482833920 32.065 > 4 59 S 0.58736938877710 0.58333333333333 0.02697482833920 32.065 > 4 60 S 0.92070272211043 0.58333333333333 0.02697482833920 32.065 > 4 61 S 0.25403605544376 0.91666666666667 0.02697482833920 32.065 > 4 62 S 0.58736938877710 0.91666666666667 0.02697482833920 32.065 > 4 63 S 0.92070272211043 0.91666666666667 0.02697482833920 32.065 > 4 64 S 0.25403605544376 0.25000000000000 0.52697482833920 32.065 > 4 65 S 0.58736938877710 0.25000000000000 0.52697482833920 32.065 > 4 66 S 0.92070272211043 0.25000000000000 0.52697482833920 32.065 > 4 67 S 0.25403605544376 0.58333333333333 0.52697482833920 32.065 > 4 68 S 0.58736938877710 0.58333333333333 0.52697482833920 32.065 > 4 69 S 0.92070272211043 0.58333333333333 0.52697482833920 32.065 > 4 70 S 0.25403605544376 0.91666666666667 0.52697482833920 32.065 > 4 71 S 0.58736938877710 0.91666666666667 0.52697482833920 32.065 > 4 72 S 0.92070272211043 0.91666666666667 0.52697482833920 32.065 > 4 *73 S 0.17646556803974 0.08333333333333 0.16232971945853 32.065 > 5 74 S 0.50979890137307 0.08333333333333 0.16232971945853 32.065 > 5 75 S 0.84313223470640 0.08333333333333 0.16232971945853 32.065 > 5 76 S 0.17646556803974 0.41666666666667 0.16232971945853 32.065 > 5 77 S 0.50979890137307 0.41666666666667 0.16232971945853 32.065 > 5 78 S 0.84313223470640 0.41666666666667 0.16232971945853 32.065 > 5 79 S 0.17646556803974 0.75000000000000 0.16232971945853 32.065 > 5 80 S 0.50979890137307 0.75000000000000 0.16232971945853 32.065 > 5 81 S 0.84313223470640 0.75000000000000 0.16232971945853 32.065 > 5 82 S 0.17646556803974 0.08333333333333 0.66232971945853 32.065 > 5 83 S 0.50979890137307 0.08333333333333 0.66232971945853 32.065 > 5 84 S 0.84313223470640 0.08333333333333 0.66232971945853 32.065 > 5 85 S 0.17646556803974 0.41666666666667 0.66232971945853 32.065 > 5 86 S 0.50979890137307 0.41666666666667 0.66232971945853 32.065 > 5 87 S 0.84313223470640 0.41666666666667 0.66232971945853 32.065 > 5 88 S 0.17646556803974 0.75000000000000 0.66232971945853 32.065 > 5 89 S 0.50979890137307 0.75000000000000 0.66232971945853 32.065 > 5 90 S 0.84313223470640 0.75000000000000 0.66232971945853 32.065 > 5 91 S 0.15686776529360 0.25000000000000 0.33767028054147 32.065 > 6 92 S 0.49020109862693 0.25000000000000 0.33767028054147 32.065 > 6 93 S 0.82353443196026 0.25000000000000 0.33767028054147 32.065 > 6 94 S 0.15686776529360 0.58333333333333 0.33767028054147 32.065 > 6 95 S 0.49020109862693 0.58333333333333 0.33767028054147 32.065 > 6 96 S 0.82353443196026 0.58333333333333 0.33767028054147 32.065 > 6 97 S 0.15686776529360 0.91666666666667 0.33767028054147 32.065 > 6 98 S 0.49020109862693 0.91666666666667 0.33767028054147 32.065 > 6 99 S 0.82353443196026 0.91666666666667 0.33767028054147 32.065 > 6 100 S 0.15686776529360 0.25000000000000 0.83767028054147 32.065 > 6 101 S 0.49020109862693 0.25000000000000 0.83767028054147 32.065 > 6 102 S 0.82353443196026 0.25000000000000 0.83767028054147 32.065 > 6 103 S 0.15686776529360 0.58333333333333 0.83767028054147 32.065 > 6 104 S 0.49020109862693 0.58333333333333 0.83767028054147 32.065 > 6 105 S 0.82353443196026 0.58333333333333 0.83767028054147 32.065 > 6 106 S 0.15686776529360 0.91666666666667 0.83767028054147 32.065 > 6 107 S 0.49020109862693 0.91666666666667 0.83767028054147 32.065 > 6 108 S 0.82353443196026 0.91666666666667 0.83767028054147 32.065 > 6 *109 Hf 0.09472996479243 0.25000000000000 0.07644720605335 178.490 > 7 110 Hf 0.42806329812576 0.25000000000000 0.07644720605335 178.490 > 7 111 Hf 0.76139663145910 0.25000000000000 0.07644720605335 178.490 > 7 112 Hf 0.09472996479243 0.58333333333333 0.07644720605335 178.490 > 7 113 Hf 0.42806329812576 0.58333333333333 0.07644720605335 178.490 > 7 114 Hf 0.76139663145910 0.58333333333333 0.07644720605335 178.490 > 7 115 Hf 0.09472996479243 0.91666666666667 0.07644720605335 178.490 > 7 116 Hf 0.42806329812576 0.91666666666667 0.07644720605335 178.490 > 7 117 Hf 0.76139663145910 0.91666666666667 0.07644720605335 178.490 > 7 118 Hf 0.09472996479243 0.25000000000000 0.57644720605335 178.490 > 7 119 Hf 0.42806329812576 0.25000000000000 0.57644720605335 178.490 > 7 120 Hf 0.76139663145910 0.25000000000000 0.57644720605335 178.490 > 7 121 Hf 0.09472996479243 0.58333333333333 0.57644720605335 178.490 > 7 122 Hf 0.42806329812576 0.58333333333333 0.57644720605335 178.490 > 7 123 Hf 0.76139663145910 0.58333333333333 0.57644720605335 178.490 > 7 124 Hf 0.09472996479243 0.91666666666667 0.57644720605335 178.490 > 7 125 Hf 0.42806329812576 0.91666666666667 0.57644720605335 178.490 > 7 126 Hf 0.76139663145910 0.91666666666667 0.57644720605335 178.490 > 7 127 Hf 0.23860336854090 0.08333333333333 0.42355279394665 178.490 > 8 128 Hf 0.57193670187424 0.08333333333333 0.42355279394665 178.490 > 8 129 Hf 0.90527003520757 0.08333333333333 0.42355279394665 178.490 > 8 130 Hf 0.23860336854090 0.41666666666667 0.42355279394665 178.490 > 8 131 Hf 0.57193670187424 0.41666666666667 0.42355279394665 178.490 > 8 132 Hf 0.90527003520757 0.41666666666667 0.42355279394665 178.490 > 8 133 Hf 0.23860336854090 0.75000000000000 0.42355279394665 178.490 > 8 134 Hf 0.57193670187424 0.75000000000000 0.42355279394665 178.490 > 8 135 Hf 0.90527003520757 0.75000000000000 0.42355279394665 178.490 > 8 136 Hf 0.23860336854090 0.08333333333333 0.92355279394665 178.490 > 8 137 Hf 0.57193670187424 0.08333333333333 0.92355279394665 178.490 > 8 138 Hf 0.90527003520757 0.08333333333333 0.92355279394665 178.490 > 8 139 Hf 0.23860336854090 0.41666666666667 0.92355279394665 178.490 > 8 140 Hf 0.57193670187424 0.41666666666667 0.92355279394665 178.490 > 8 141 Hf 0.90527003520757 0.41666666666667 0.92355279394665 178.490 > 8 142 Hf 0.23860336854090 0.75000000000000 0.92355279394665 178.490 > 8 143 Hf 0.57193670187424 0.75000000000000 0.92355279394665 178.490 > 8 144 Hf 0.90527003520757 0.75000000000000 0.92355279394665 178.490 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8090485 0.0000000 0.0147990 0.0000000 10.0514790 0.0000000 0.0147996 0.0000000 5.6080036 -------------------------- Born effective charges -------------------------- 1 S -0.3463057 0.0000000 0.0386834 0.0000000 -1.6677787 0.0000000 0.5524781 0.0000000 -0.4397471 2 S -0.3463057 0.0000000 0.0386834 0.0000000 -1.6677787 0.0000000 0.5524781 0.0000000 -0.4397471 3 S -1.9929518 0.0000000 -0.0064658 0.0000000 -2.6756349 0.0000000 -0.0019078 0.0000000 -1.0214167 4 S -1.9929518 0.0000000 -0.0064658 0.0000000 -2.6756349 0.0000000 -0.0019078 0.0000000 -1.0214167 5 S -0.4681608 0.0000000 -0.0362156 0.0000000 -1.6503240 0.0000000 -0.5680125 0.0000000 -0.4812414 6 S -0.4681608 0.0000000 -0.0362156 0.0000000 -1.6503240 0.0000000 -0.5680125 0.0000000 -0.4812414 7 Hf 2.8074182 0.0000000 0.0039980 0.0000000 5.9937376 0.0000000 0.0174422 0.0000000 1.9424052 8 Hf 2.8074182 0.0000000 0.0039980 0.0000000 5.9937376 0.0000000 0.0174422 0.0000000 1.9424052 ---------------------------------------------------------------------------- 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: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1421), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.441 Solver_block: 200 / 240 - Time: 0.423 Solver_block: 240 / 240 - Time: 0.207 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.096 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1421), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:37:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:37:35]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.043672790425049 0.000000000000000 0.000000000000000 b 0.000000000000000 3.562546590000000 0.000000000000000 c -1.129284261922380 0.000000000000000 8.950580239705390 Atomic positions (fractional): 1 S 0.88342243119870 0.75000000000000 0.67520193637212 32.065 2 S 0.11657756880130 0.25000000000000 0.32479806362788 32.065 3 S 0.23789183366871 0.25000000000000 0.94605034332161 32.065 4 S 0.76210816633129 0.75000000000000 0.05394965667839 32.065 5 S 0.52939670411921 0.25000000000000 0.32465943891705 32.065 6 S 0.47060329588079 0.75000000000000 0.67534056108295 32.065 7 Hf 0.28418989437729 0.75000000000000 0.15289441210670 178.490 8 Hf 0.71581010562271 0.25000000000000 0.84710558789330 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.131018371275147 0.000000000000000 0.000000000000000 b 0.000000000000000 10.687639770000001 0.000000000000000 c -2.258568523844760 0.000000000000000 17.901160479410780 Atomic positions (fractional): 1 S 0.29447414373290 0.25000000000000 0.33760096818606 32.065 > 1 2 S 0.62780747706623 0.25000000000000 0.33760096818606 32.065 > 1 3 S 0.96114081039957 0.25000000000000 0.33760096818606 32.065 > 1 4 S 0.29447414373290 0.58333333333333 0.33760096818606 32.065 > 1 5 S 0.62780747706623 0.58333333333333 0.33760096818606 32.065 > 1 6 S 0.96114081039957 0.58333333333333 0.33760096818606 32.065 > 1 7 S 0.29447414373290 0.91666666666667 0.33760096818606 32.065 > 1 8 S 0.62780747706623 0.91666666666667 0.33760096818606 32.065 > 1 9 S 0.96114081039957 0.91666666666667 0.33760096818606 32.065 > 1 10 S 0.29447414373290 0.25000000000000 0.83760096818606 32.065 > 1 11 S 0.62780747706623 0.25000000000000 0.83760096818606 32.065 > 1 12 S 0.96114081039957 0.25000000000000 0.83760096818606 32.065 > 1 13 S 0.29447414373290 0.58333333333333 0.83760096818606 32.065 > 1 14 S 0.62780747706623 0.58333333333333 0.83760096818606 32.065 > 1 15 S 0.96114081039957 0.58333333333333 0.83760096818606 32.065 > 1 16 S 0.29447414373290 0.91666666666667 0.83760096818606 32.065 > 1 17 S 0.62780747706623 0.91666666666667 0.83760096818606 32.065 > 1 18 S 0.96114081039957 0.91666666666667 0.83760096818606 32.065 > 1 19 S 0.03885918960043 0.08333333333333 0.16239903181394 32.065 > 19 20 S 0.37219252293377 0.08333333333333 0.16239903181394 32.065 > 19 21 S 0.70552585626710 0.08333333333333 0.16239903181394 32.065 > 19 22 S 0.03885918960043 0.41666666666667 0.16239903181394 32.065 > 19 23 S 0.37219252293377 0.41666666666667 0.16239903181394 32.065 > 19 24 S 0.70552585626710 0.41666666666667 0.16239903181394 32.065 > 19 25 S 0.03885918960043 0.75000000000000 0.16239903181394 32.065 > 19 26 S 0.37219252293377 0.75000000000000 0.16239903181394 32.065 > 19 27 S 0.70552585626710 0.75000000000000 0.16239903181394 32.065 > 19 28 S 0.03885918960043 0.08333333333333 0.66239903181394 32.065 > 19 29 S 0.37219252293377 0.08333333333333 0.66239903181394 32.065 > 19 30 S 0.70552585626710 0.08333333333333 0.66239903181394 32.065 > 19 31 S 0.03885918960043 0.41666666666667 0.66239903181394 32.065 > 19 32 S 0.37219252293377 0.41666666666667 0.66239903181394 32.065 > 19 33 S 0.70552585626710 0.41666666666667 0.66239903181394 32.065 > 19 34 S 0.03885918960043 0.75000000000000 0.66239903181394 32.065 > 19 35 S 0.37219252293377 0.75000000000000 0.66239903181394 32.065 > 19 36 S 0.70552585626710 0.75000000000000 0.66239903181394 32.065 > 19 37 S 0.07929727788957 0.08333333333333 0.47302517166080 32.065 > 37 38 S 0.41263061122290 0.08333333333333 0.47302517166080 32.065 > 37 39 S 0.74596394455624 0.08333333333333 0.47302517166080 32.065 > 37 40 S 0.07929727788957 0.41666666666667 0.47302517166080 32.065 > 37 41 S 0.41263061122290 0.41666666666667 0.47302517166080 32.065 > 37 42 S 0.74596394455624 0.41666666666667 0.47302517166080 32.065 > 37 43 S 0.07929727788957 0.75000000000000 0.47302517166080 32.065 > 37 44 S 0.41263061122290 0.75000000000000 0.47302517166080 32.065 > 37 45 S 0.74596394455624 0.75000000000000 0.47302517166080 32.065 > 37 46 S 0.07929727788957 0.08333333333333 0.97302517166080 32.065 > 37 47 S 0.41263061122290 0.08333333333333 0.97302517166080 32.065 > 37 48 S 0.74596394455624 0.08333333333333 0.97302517166080 32.065 > 37 49 S 0.07929727788957 0.41666666666667 0.97302517166080 32.065 > 37 50 S 0.41263061122290 0.41666666666667 0.97302517166080 32.065 > 37 51 S 0.74596394455624 0.41666666666667 0.97302517166080 32.065 > 37 52 S 0.07929727788957 0.75000000000000 0.97302517166080 32.065 > 37 53 S 0.41263061122290 0.75000000000000 0.97302517166080 32.065 > 37 54 S 0.74596394455624 0.75000000000000 0.97302517166080 32.065 > 37 55 S 0.25403605544376 0.25000000000000 0.02697482833920 32.065 > 55 56 S 0.58736938877710 0.25000000000000 0.02697482833920 32.065 > 55 57 S 0.92070272211043 0.25000000000000 0.02697482833920 32.065 > 55 58 S 0.25403605544376 0.58333333333333 0.02697482833920 32.065 > 55 59 S 0.58736938877710 0.58333333333333 0.02697482833920 32.065 > 55 60 S 0.92070272211043 0.58333333333333 0.02697482833920 32.065 > 55 61 S 0.25403605544376 0.91666666666667 0.02697482833920 32.065 > 55 62 S 0.58736938877710 0.91666666666667 0.02697482833920 32.065 > 55 63 S 0.92070272211043 0.91666666666667 0.02697482833920 32.065 > 55 64 S 0.25403605544376 0.25000000000000 0.52697482833920 32.065 > 55 65 S 0.58736938877710 0.25000000000000 0.52697482833920 32.065 > 55 66 S 0.92070272211043 0.25000000000000 0.52697482833920 32.065 > 55 67 S 0.25403605544376 0.58333333333333 0.52697482833920 32.065 > 55 68 S 0.58736938877710 0.58333333333333 0.52697482833920 32.065 > 55 69 S 0.92070272211043 0.58333333333333 0.52697482833920 32.065 > 55 70 S 0.25403605544376 0.91666666666667 0.52697482833920 32.065 > 55 71 S 0.58736938877710 0.91666666666667 0.52697482833920 32.065 > 55 72 S 0.92070272211043 0.91666666666667 0.52697482833920 32.065 > 55 73 S 0.17646556803974 0.08333333333333 0.16232971945853 32.065 > 73 74 S 0.50979890137307 0.08333333333333 0.16232971945853 32.065 > 73 75 S 0.84313223470640 0.08333333333333 0.16232971945853 32.065 > 73 76 S 0.17646556803974 0.41666666666667 0.16232971945853 32.065 > 73 77 S 0.50979890137307 0.41666666666667 0.16232971945853 32.065 > 73 78 S 0.84313223470640 0.41666666666667 0.16232971945853 32.065 > 73 79 S 0.17646556803974 0.75000000000000 0.16232971945853 32.065 > 73 80 S 0.50979890137307 0.75000000000000 0.16232971945853 32.065 > 73 81 S 0.84313223470640 0.75000000000000 0.16232971945853 32.065 > 73 82 S 0.17646556803974 0.08333333333333 0.66232971945853 32.065 > 73 83 S 0.50979890137307 0.08333333333333 0.66232971945853 32.065 > 73 84 S 0.84313223470640 0.08333333333333 0.66232971945853 32.065 > 73 85 S 0.17646556803974 0.41666666666667 0.66232971945853 32.065 > 73 86 S 0.50979890137307 0.41666666666667 0.66232971945853 32.065 > 73 87 S 0.84313223470640 0.41666666666667 0.66232971945853 32.065 > 73 88 S 0.17646556803974 0.75000000000000 0.66232971945853 32.065 > 73 89 S 0.50979890137307 0.75000000000000 0.66232971945853 32.065 > 73 90 S 0.84313223470640 0.75000000000000 0.66232971945853 32.065 > 73 91 S 0.15686776529360 0.25000000000000 0.33767028054147 32.065 > 91 92 S 0.49020109862693 0.25000000000000 0.33767028054147 32.065 > 91 93 S 0.82353443196026 0.25000000000000 0.33767028054147 32.065 > 91 94 S 0.15686776529360 0.58333333333333 0.33767028054147 32.065 > 91 95 S 0.49020109862693 0.58333333333333 0.33767028054147 32.065 > 91 96 S 0.82353443196026 0.58333333333333 0.33767028054147 32.065 > 91 97 S 0.15686776529360 0.91666666666667 0.33767028054147 32.065 > 91 98 S 0.49020109862693 0.91666666666667 0.33767028054147 32.065 > 91 99 S 0.82353443196026 0.91666666666667 0.33767028054147 32.065 > 91 100 S 0.15686776529360 0.25000000000000 0.83767028054147 32.065 > 91 101 S 0.49020109862693 0.25000000000000 0.83767028054147 32.065 > 91 102 S 0.82353443196026 0.25000000000000 0.83767028054147 32.065 > 91 103 S 0.15686776529360 0.58333333333333 0.83767028054147 32.065 > 91 104 S 0.49020109862693 0.58333333333333 0.83767028054147 32.065 > 91 105 S 0.82353443196026 0.58333333333333 0.83767028054147 32.065 > 91 106 S 0.15686776529360 0.91666666666667 0.83767028054147 32.065 > 91 107 S 0.49020109862693 0.91666666666667 0.83767028054147 32.065 > 91 108 S 0.82353443196026 0.91666666666667 0.83767028054147 32.065 > 91 109 Hf 0.09472996479243 0.25000000000000 0.07644720605335 178.490 > 109 110 Hf 0.42806329812576 0.25000000000000 0.07644720605335 178.490 > 109 111 Hf 0.76139663145910 0.25000000000000 0.07644720605335 178.490 > 109 112 Hf 0.09472996479243 0.58333333333333 0.07644720605335 178.490 > 109 113 Hf 0.42806329812576 0.58333333333333 0.07644720605335 178.490 > 109 114 Hf 0.76139663145910 0.58333333333333 0.07644720605335 178.490 > 109 115 Hf 0.09472996479243 0.91666666666667 0.07644720605335 178.490 > 109 116 Hf 0.42806329812576 0.91666666666667 0.07644720605335 178.490 > 109 117 Hf 0.76139663145910 0.91666666666667 0.07644720605335 178.490 > 109 118 Hf 0.09472996479243 0.25000000000000 0.57644720605335 178.490 > 109 119 Hf 0.42806329812576 0.25000000000000 0.57644720605335 178.490 > 109 120 Hf 0.76139663145910 0.25000000000000 0.57644720605335 178.490 > 109 121 Hf 0.09472996479243 0.58333333333333 0.57644720605335 178.490 > 109 122 Hf 0.42806329812576 0.58333333333333 0.57644720605335 178.490 > 109 123 Hf 0.76139663145910 0.58333333333333 0.57644720605335 178.490 > 109 124 Hf 0.09472996479243 0.91666666666667 0.57644720605335 178.490 > 109 125 Hf 0.42806329812576 0.91666666666667 0.57644720605335 178.490 > 109 126 Hf 0.76139663145910 0.91666666666667 0.57644720605335 178.490 > 109 127 Hf 0.23860336854090 0.08333333333333 0.42355279394665 178.490 > 127 128 Hf 0.57193670187424 0.08333333333333 0.42355279394665 178.490 > 127 129 Hf 0.90527003520757 0.08333333333333 0.42355279394665 178.490 > 127 130 Hf 0.23860336854090 0.41666666666667 0.42355279394665 178.490 > 127 131 Hf 0.57193670187424 0.41666666666667 0.42355279394665 178.490 > 127 132 Hf 0.90527003520757 0.41666666666667 0.42355279394665 178.490 > 127 133 Hf 0.23860336854090 0.75000000000000 0.42355279394665 178.490 > 127 134 Hf 0.57193670187424 0.75000000000000 0.42355279394665 178.490 > 127 135 Hf 0.90527003520757 0.75000000000000 0.42355279394665 178.490 > 127 136 Hf 0.23860336854090 0.08333333333333 0.92355279394665 178.490 > 127 137 Hf 0.57193670187424 0.08333333333333 0.92355279394665 178.490 > 127 138 Hf 0.90527003520757 0.08333333333333 0.92355279394665 178.490 > 127 139 Hf 0.23860336854090 0.41666666666667 0.92355279394665 178.490 > 127 140 Hf 0.57193670187424 0.41666666666667 0.92355279394665 178.490 > 127 141 Hf 0.90527003520757 0.41666666666667 0.92355279394665 178.490 > 127 142 Hf 0.23860336854090 0.75000000000000 0.92355279394665 178.490 > 127 143 Hf 0.57193670187424 0.75000000000000 0.92355279394665 178.490 > 127 144 Hf 0.90527003520757 0.75000000000000 0.92355279394665 178.490 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8090485 0.0000000 0.0147990 0.0000000 10.0514790 0.0000000 0.0147996 0.0000000 5.6080036 -------------------------- Born effective charges -------------------------- 1 S -0.3463057 0.0000000 0.0386834 0.0000000 -1.6677787 0.0000000 0.5524781 0.0000000 -0.4397471 2 S -0.3463057 0.0000000 0.0386834 0.0000000 -1.6677787 0.0000000 0.5524781 0.0000000 -0.4397471 3 S -1.9929518 0.0000000 -0.0064658 0.0000000 -2.6756349 0.0000000 -0.0019078 0.0000000 -1.0214167 4 S -1.9929518 0.0000000 -0.0064658 0.0000000 -2.6756349 0.0000000 -0.0019078 0.0000000 -1.0214167 5 S -0.4681608 0.0000000 -0.0362156 0.0000000 -1.6503240 0.0000000 -0.5680125 0.0000000 -0.4812414 6 S -0.4681608 0.0000000 -0.0362156 0.0000000 -1.6503240 0.0000000 -0.5680125 0.0000000 -0.4812414 7 Hf 2.8074182 0.0000000 0.0039980 0.0000000 5.9937376 0.0000000 0.0174422 0.0000000 1.9424052 8 Hf 2.8074182 0.0000000 0.0039980 0.0000000 5.9937376 0.0000000 0.0174422 0.0000000 1.9424052 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 37, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 109, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:37:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:37:56]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.043672790425049 0.000000000000000 0.000000000000000 b 0.000000000000000 3.562546590000000 0.000000000000000 c -1.129284261922380 0.000000000000000 8.950580239705390 Atomic positions (fractional): 1 S 0.88342243119870 0.75000000000000 0.67520193637212 32.065 2 S 0.11657756880130 0.25000000000000 0.32479806362788 32.065 3 S 0.23789183366871 0.25000000000000 0.94605034332161 32.065 4 S 0.76210816633129 0.75000000000000 0.05394965667839 32.065 5 S 0.52939670411921 0.25000000000000 0.32465943891705 32.065 6 S 0.47060329588079 0.75000000000000 0.67534056108295 32.065 7 Hf 0.28418989437729 0.75000000000000 0.15289441210670 178.490 8 Hf 0.71581010562271 0.25000000000000 0.84710558789330 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.131018371275147 0.000000000000000 0.000000000000000 b 0.000000000000000 10.687639770000001 0.000000000000000 c -2.258568523844760 0.000000000000000 17.901160479410780 Atomic positions (fractional): 1 S 0.29447414373290 0.25000000000000 0.33760096818606 32.065 > 1 2 S 0.62780747706623 0.25000000000000 0.33760096818606 32.065 > 1 3 S 0.96114081039957 0.25000000000000 0.33760096818606 32.065 > 1 4 S 0.29447414373290 0.58333333333333 0.33760096818606 32.065 > 1 5 S 0.62780747706623 0.58333333333333 0.33760096818606 32.065 > 1 6 S 0.96114081039957 0.58333333333333 0.33760096818606 32.065 > 1 7 S 0.29447414373290 0.91666666666667 0.33760096818606 32.065 > 1 8 S 0.62780747706623 0.91666666666667 0.33760096818606 32.065 > 1 9 S 0.96114081039957 0.91666666666667 0.33760096818606 32.065 > 1 10 S 0.29447414373290 0.25000000000000 0.83760096818606 32.065 > 1 11 S 0.62780747706623 0.25000000000000 0.83760096818606 32.065 > 1 12 S 0.96114081039957 0.25000000000000 0.83760096818606 32.065 > 1 13 S 0.29447414373290 0.58333333333333 0.83760096818606 32.065 > 1 14 S 0.62780747706623 0.58333333333333 0.83760096818606 32.065 > 1 15 S 0.96114081039957 0.58333333333333 0.83760096818606 32.065 > 1 16 S 0.29447414373290 0.91666666666667 0.83760096818606 32.065 > 1 17 S 0.62780747706623 0.91666666666667 0.83760096818606 32.065 > 1 18 S 0.96114081039957 0.91666666666667 0.83760096818606 32.065 > 1 19 S 0.03885918960043 0.08333333333333 0.16239903181394 32.065 > 19 20 S 0.37219252293377 0.08333333333333 0.16239903181394 32.065 > 19 21 S 0.70552585626710 0.08333333333333 0.16239903181394 32.065 > 19 22 S 0.03885918960043 0.41666666666667 0.16239903181394 32.065 > 19 23 S 0.37219252293377 0.41666666666667 0.16239903181394 32.065 > 19 24 S 0.70552585626710 0.41666666666667 0.16239903181394 32.065 > 19 25 S 0.03885918960043 0.75000000000000 0.16239903181394 32.065 > 19 26 S 0.37219252293377 0.75000000000000 0.16239903181394 32.065 > 19 27 S 0.70552585626710 0.75000000000000 0.16239903181394 32.065 > 19 28 S 0.03885918960043 0.08333333333333 0.66239903181394 32.065 > 19 29 S 0.37219252293377 0.08333333333333 0.66239903181394 32.065 > 19 30 S 0.70552585626710 0.08333333333333 0.66239903181394 32.065 > 19 31 S 0.03885918960043 0.41666666666667 0.66239903181394 32.065 > 19 32 S 0.37219252293377 0.41666666666667 0.66239903181394 32.065 > 19 33 S 0.70552585626710 0.41666666666667 0.66239903181394 32.065 > 19 34 S 0.03885918960043 0.75000000000000 0.66239903181394 32.065 > 19 35 S 0.37219252293377 0.75000000000000 0.66239903181394 32.065 > 19 36 S 0.70552585626710 0.75000000000000 0.66239903181394 32.065 > 19 37 S 0.07929727788957 0.08333333333333 0.47302517166080 32.065 > 37 38 S 0.41263061122290 0.08333333333333 0.47302517166080 32.065 > 37 39 S 0.74596394455624 0.08333333333333 0.47302517166080 32.065 > 37 40 S 0.07929727788957 0.41666666666667 0.47302517166080 32.065 > 37 41 S 0.41263061122290 0.41666666666667 0.47302517166080 32.065 > 37 42 S 0.74596394455624 0.41666666666667 0.47302517166080 32.065 > 37 43 S 0.07929727788957 0.75000000000000 0.47302517166080 32.065 > 37 44 S 0.41263061122290 0.75000000000000 0.47302517166080 32.065 > 37 45 S 0.74596394455624 0.75000000000000 0.47302517166080 32.065 > 37 46 S 0.07929727788957 0.08333333333333 0.97302517166080 32.065 > 37 47 S 0.41263061122290 0.08333333333333 0.97302517166080 32.065 > 37 48 S 0.74596394455624 0.08333333333333 0.97302517166080 32.065 > 37 49 S 0.07929727788957 0.41666666666667 0.97302517166080 32.065 > 37 50 S 0.41263061122290 0.41666666666667 0.97302517166080 32.065 > 37 51 S 0.74596394455624 0.41666666666667 0.97302517166080 32.065 > 37 52 S 0.07929727788957 0.75000000000000 0.97302517166080 32.065 > 37 53 S 0.41263061122290 0.75000000000000 0.97302517166080 32.065 > 37 54 S 0.74596394455624 0.75000000000000 0.97302517166080 32.065 > 37 55 S 0.25403605544376 0.25000000000000 0.02697482833920 32.065 > 55 56 S 0.58736938877710 0.25000000000000 0.02697482833920 32.065 > 55 57 S 0.92070272211043 0.25000000000000 0.02697482833920 32.065 > 55 58 S 0.25403605544376 0.58333333333333 0.02697482833920 32.065 > 55 59 S 0.58736938877710 0.58333333333333 0.02697482833920 32.065 > 55 60 S 0.92070272211043 0.58333333333333 0.02697482833920 32.065 > 55 61 S 0.25403605544376 0.91666666666667 0.02697482833920 32.065 > 55 62 S 0.58736938877710 0.91666666666667 0.02697482833920 32.065 > 55 63 S 0.92070272211043 0.91666666666667 0.02697482833920 32.065 > 55 64 S 0.25403605544376 0.25000000000000 0.52697482833920 32.065 > 55 65 S 0.58736938877710 0.25000000000000 0.52697482833920 32.065 > 55 66 S 0.92070272211043 0.25000000000000 0.52697482833920 32.065 > 55 67 S 0.25403605544376 0.58333333333333 0.52697482833920 32.065 > 55 68 S 0.58736938877710 0.58333333333333 0.52697482833920 32.065 > 55 69 S 0.92070272211043 0.58333333333333 0.52697482833920 32.065 > 55 70 S 0.25403605544376 0.91666666666667 0.52697482833920 32.065 > 55 71 S 0.58736938877710 0.91666666666667 0.52697482833920 32.065 > 55 72 S 0.92070272211043 0.91666666666667 0.52697482833920 32.065 > 55 73 S 0.17646556803974 0.08333333333333 0.16232971945853 32.065 > 73 74 S 0.50979890137307 0.08333333333333 0.16232971945853 32.065 > 73 75 S 0.84313223470640 0.08333333333333 0.16232971945853 32.065 > 73 76 S 0.17646556803974 0.41666666666667 0.16232971945853 32.065 > 73 77 S 0.50979890137307 0.41666666666667 0.16232971945853 32.065 > 73 78 S 0.84313223470640 0.41666666666667 0.16232971945853 32.065 > 73 79 S 0.17646556803974 0.75000000000000 0.16232971945853 32.065 > 73 80 S 0.50979890137307 0.75000000000000 0.16232971945853 32.065 > 73 81 S 0.84313223470640 0.75000000000000 0.16232971945853 32.065 > 73 82 S 0.17646556803974 0.08333333333333 0.66232971945853 32.065 > 73 83 S 0.50979890137307 0.08333333333333 0.66232971945853 32.065 > 73 84 S 0.84313223470640 0.08333333333333 0.66232971945853 32.065 > 73 85 S 0.17646556803974 0.41666666666667 0.66232971945853 32.065 > 73 86 S 0.50979890137307 0.41666666666667 0.66232971945853 32.065 > 73 87 S 0.84313223470640 0.41666666666667 0.66232971945853 32.065 > 73 88 S 0.17646556803974 0.75000000000000 0.66232971945853 32.065 > 73 89 S 0.50979890137307 0.75000000000000 0.66232971945853 32.065 > 73 90 S 0.84313223470640 0.75000000000000 0.66232971945853 32.065 > 73 91 S 0.15686776529360 0.25000000000000 0.33767028054147 32.065 > 91 92 S 0.49020109862693 0.25000000000000 0.33767028054147 32.065 > 91 93 S 0.82353443196026 0.25000000000000 0.33767028054147 32.065 > 91 94 S 0.15686776529360 0.58333333333333 0.33767028054147 32.065 > 91 95 S 0.49020109862693 0.58333333333333 0.33767028054147 32.065 > 91 96 S 0.82353443196026 0.58333333333333 0.33767028054147 32.065 > 91 97 S 0.15686776529360 0.91666666666667 0.33767028054147 32.065 > 91 98 S 0.49020109862693 0.91666666666667 0.33767028054147 32.065 > 91 99 S 0.82353443196026 0.91666666666667 0.33767028054147 32.065 > 91 100 S 0.15686776529360 0.25000000000000 0.83767028054147 32.065 > 91 101 S 0.49020109862693 0.25000000000000 0.83767028054147 32.065 > 91 102 S 0.82353443196026 0.25000000000000 0.83767028054147 32.065 > 91 103 S 0.15686776529360 0.58333333333333 0.83767028054147 32.065 > 91 104 S 0.49020109862693 0.58333333333333 0.83767028054147 32.065 > 91 105 S 0.82353443196026 0.58333333333333 0.83767028054147 32.065 > 91 106 S 0.15686776529360 0.91666666666667 0.83767028054147 32.065 > 91 107 S 0.49020109862693 0.91666666666667 0.83767028054147 32.065 > 91 108 S 0.82353443196026 0.91666666666667 0.83767028054147 32.065 > 91 109 Hf 0.09472996479243 0.25000000000000 0.07644720605335 178.490 > 109 110 Hf 0.42806329812576 0.25000000000000 0.07644720605335 178.490 > 109 111 Hf 0.76139663145910 0.25000000000000 0.07644720605335 178.490 > 109 112 Hf 0.09472996479243 0.58333333333333 0.07644720605335 178.490 > 109 113 Hf 0.42806329812576 0.58333333333333 0.07644720605335 178.490 > 109 114 Hf 0.76139663145910 0.58333333333333 0.07644720605335 178.490 > 109 115 Hf 0.09472996479243 0.91666666666667 0.07644720605335 178.490 > 109 116 Hf 0.42806329812576 0.91666666666667 0.07644720605335 178.490 > 109 117 Hf 0.76139663145910 0.91666666666667 0.07644720605335 178.490 > 109 118 Hf 0.09472996479243 0.25000000000000 0.57644720605335 178.490 > 109 119 Hf 0.42806329812576 0.25000000000000 0.57644720605335 178.490 > 109 120 Hf 0.76139663145910 0.25000000000000 0.57644720605335 178.490 > 109 121 Hf 0.09472996479243 0.58333333333333 0.57644720605335 178.490 > 109 122 Hf 0.42806329812576 0.58333333333333 0.57644720605335 178.490 > 109 123 Hf 0.76139663145910 0.58333333333333 0.57644720605335 178.490 > 109 124 Hf 0.09472996479243 0.91666666666667 0.57644720605335 178.490 > 109 125 Hf 0.42806329812576 0.91666666666667 0.57644720605335 178.490 > 109 126 Hf 0.76139663145910 0.91666666666667 0.57644720605335 178.490 > 109 127 Hf 0.23860336854090 0.08333333333333 0.42355279394665 178.490 > 127 128 Hf 0.57193670187424 0.08333333333333 0.42355279394665 178.490 > 127 129 Hf 0.90527003520757 0.08333333333333 0.42355279394665 178.490 > 127 130 Hf 0.23860336854090 0.41666666666667 0.42355279394665 178.490 > 127 131 Hf 0.57193670187424 0.41666666666667 0.42355279394665 178.490 > 127 132 Hf 0.90527003520757 0.41666666666667 0.42355279394665 178.490 > 127 133 Hf 0.23860336854090 0.75000000000000 0.42355279394665 178.490 > 127 134 Hf 0.57193670187424 0.75000000000000 0.42355279394665 178.490 > 127 135 Hf 0.90527003520757 0.75000000000000 0.42355279394665 178.490 > 127 136 Hf 0.23860336854090 0.08333333333333 0.92355279394665 178.490 > 127 137 Hf 0.57193670187424 0.08333333333333 0.92355279394665 178.490 > 127 138 Hf 0.90527003520757 0.08333333333333 0.92355279394665 178.490 > 127 139 Hf 0.23860336854090 0.41666666666667 0.92355279394665 178.490 > 127 140 Hf 0.57193670187424 0.41666666666667 0.92355279394665 178.490 > 127 141 Hf 0.90527003520757 0.41666666666667 0.92355279394665 178.490 > 127 142 Hf 0.23860336854090 0.75000000000000 0.92355279394665 178.490 > 127 143 Hf 0.57193670187424 0.75000000000000 0.92355279394665 178.490 > 127 144 Hf 0.90527003520757 0.75000000000000 0.92355279394665 178.490 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8090485 0.0000000 0.0147990 0.0000000 10.0514790 0.0000000 0.0147996 0.0000000 5.6080036 -------------------------- Born effective charges -------------------------- 1 S -0.3463057 0.0000000 0.0386834 0.0000000 -1.6677787 0.0000000 0.5524781 0.0000000 -0.4397471 2 S -0.3463057 0.0000000 0.0386834 0.0000000 -1.6677787 0.0000000 0.5524781 0.0000000 -0.4397471 3 S -1.9929518 0.0000000 -0.0064658 0.0000000 -2.6756349 0.0000000 -0.0019078 0.0000000 -1.0214167 4 S -1.9929518 0.0000000 -0.0064658 0.0000000 -2.6756349 0.0000000 -0.0019078 0.0000000 -1.0214167 5 S -0.4681608 0.0000000 -0.0362156 0.0000000 -1.6503240 0.0000000 -0.5680125 0.0000000 -0.4812414 6 S -0.4681608 0.0000000 -0.0362156 0.0000000 -1.6503240 0.0000000 -0.5680125 0.0000000 -0.4812414 7 Hf 2.8074182 0.0000000 0.0039980 0.0000000 5.9937376 0.0000000 0.0174422 0.0000000 1.9424052 8 Hf 2.8074182 0.0000000 0.0039980 0.0000000 5.9937376 0.0000000 0.0174422 0.0000000 1.9424052 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 14 6 ] 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: 0.76, Number of G-points: 299, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/256) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 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 2.089 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 14.844 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/256) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 19.479 0.000 -0.479) 19.485 0.492 ( 23.980 0.000 1.762) 24.045 0.867 ( 41.522 0.000 2.167) 41.579 2.296 ( 18.194 0.000 -1.556) 18.260 2.301 ( -3.032 0.000 -0.364) 3.054 2.576 ( 19.615 0.000 0.307) 19.618 2.904 ( 15.801 0.000 -0.336) 15.804 3.475 ( 9.924 0.000 0.119) 9.925 3.570 ( -1.081 0.000 -0.288) 1.119 3.672 ( 8.688 0.000 -0.059) 8.688 6.330 ( -0.183 0.000 0.062) 0.193 6.409 ( -0.532 0.000 0.005) 0.532 6.747 ( -0.068 0.000 -0.012) 0.069 6.814 ( -0.440 0.000 -0.104) 0.452 7.287 ( 5.088 0.000 -0.628) 5.127 7.630 ( -1.086 0.000 -2.268) 2.515 7.680 ( -1.248 0.000 2.546) 2.836 7.742 ( 5.099 0.000 0.320) 5.109 8.779 ( 4.224 0.000 -4.003) 5.820 9.580 ( 0.057 0.000 0.392) 0.396 9.623 ( -13.714 0.000 0.722) 13.733 10.205 ( 6.077 0.000 0.818) 6.132 14.947 ( 9.595 0.000 1.092) 9.657 15.024 ( 10.339 0.000 0.098) 10.339 ======================= Grid point 2 (3/256) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 26.394 0.000 1.288) 26.426 0.948 ( 21.312 0.000 1.539) 21.367 1.619 ( 32.904 0.000 1.245) 32.928 2.224 ( -4.335 0.000 -0.596) 4.376 2.678 ( 18.683 0.000 -0.888) 18.704 3.013 ( 20.246 0.000 -0.287) 20.248 3.320 ( 24.066 0.000 -1.534) 24.115 3.582 ( 4.845 0.000 0.586) 4.881 3.730 ( 14.877 0.000 0.142) 14.878 3.897 ( 13.066 0.000 -0.083) 13.066 6.325 ( -0.308 0.000 0.145) 0.340 6.393 ( -1.107 0.000 -0.032) 1.107 6.745 ( -0.037 0.000 -0.031) 0.048 6.801 ( -0.804 0.000 -0.156) 0.819 7.407 ( 6.281 0.000 -0.938) 6.351 7.587 ( -2.429 0.000 -1.229) 2.722 7.666 ( -0.086 0.000 1.629) 1.631 7.887 ( 8.701 0.000 0.850) 8.742 8.865 ( 4.492 0.000 -1.433) 4.715 9.312 ( -15.813 0.000 0.154) 15.814 9.619 ( 3.067 0.000 0.489) 3.105 10.289 ( 1.915 0.000 0.160) 1.922 15.206 ( 15.554 0.000 0.096) 15.554 15.300 ( 16.488 0.000 0.349) 16.491 ======================= Grid point 3 (4/256) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 26.625 0.000 2.226) 26.718 1.336 ( 17.294 0.000 1.254) 17.340 2.129 ( -5.097 0.000 -0.706) 5.146 2.137 ( 18.149 0.000 -0.209) 18.150 3.000 ( 13.612 0.000 -0.006) 13.612 3.229 ( 3.246 0.000 -1.401) 3.536 3.757 ( 20.315 0.000 -1.555) 20.374 3.867 ( 19.728 0.000 1.244) 19.767 4.029 ( 14.361 0.000 0.092) 14.361 4.153 ( 11.909 0.000 -0.059) 11.909 6.319 ( -0.308 0.000 0.238) 0.390 6.367 ( -1.372 0.000 -0.119) 1.377 6.745 ( -0.006 0.000 -0.050) 0.050 6.782 ( -0.975 0.000 -0.137) 0.984 7.477 ( 0.362 0.000 -2.120) 2.151 7.545 ( -1.303 0.000 1.320) 1.855 7.720 ( 5.641 0.000 0.392) 5.655 8.057 ( 7.140 0.000 0.835) 7.189 8.928 ( 1.777 0.000 -0.423) 1.826 9.027 ( -11.989 0.000 -0.227) 11.991 9.715 ( 6.499 0.000 0.172) 6.501 10.281 ( -2.681 0.000 0.282) 2.696 15.523 ( 15.395 0.000 -0.328) 15.398 15.636 ( 16.172 0.000 0.529) 16.181 ======================= Grid point 4 (5/256) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 12.763 0.000 0.991) 12.801 1.729 ( 22.693 0.000 2.697) 22.853 2.015 ( -6.369 0.000 -0.750) 6.413 2.305 ( -0.911 0.000 -1.878) 2.087 3.209 ( 7.238 0.000 0.461) 7.253 3.267 ( 2.107 0.000 -0.939) 2.307 4.092 ( 12.451 0.000 -0.434) 12.459 4.195 ( 11.669 0.000 0.185) 11.670 4.270 ( 9.340 0.000 0.023) 9.340 4.339 ( 6.346 0.000 -0.011) 6.346 6.316 ( -0.121 0.000 0.282) 0.307 6.342 ( -1.030 0.000 -0.203) 1.050 6.745 ( 0.080 0.000 -0.048) 0.094 6.764 ( -0.820 0.000 -0.068) 0.823 7.452 ( -1.325 0.000 -1.058) 1.695 7.533 ( -0.528 0.000 0.883) 1.029 7.865 ( 8.281 0.000 -0.032) 8.281 8.126 ( -1.157 0.000 0.496) 1.258 8.872 ( -2.913 0.000 -0.403) 2.940 8.931 ( -1.499 0.000 0.129) 1.504 9.869 ( 8.643 0.000 -0.252) 8.647 10.191 ( -6.266 0.000 0.486) 6.285 15.777 ( 9.428 0.000 -0.312) 9.433 15.903 ( 9.832 0.000 0.402) 9.841 ======================= Grid point 5 (6/256) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 2.078 ( -0.000 0.000 -0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.289 ( -0.000 0.000 -0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 -0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.395 ( -0.000 0.000 0.000) 0.000 6.316 ( -0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.748 ( -0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 -0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 -0.000) 0.000 8.032 ( -0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 -0.000) 0.000 8.888 ( -0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 -0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/256) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 20.492 0.000) 20.492 0.397 ( 0.000 22.309 0.000) 22.309 1.014 ( 0.000 49.250 0.000) 49.250 2.038 ( 0.000 -3.849 0.000) 3.849 2.268 ( 0.000 -3.590 0.000) 3.590 2.555 ( 0.000 20.116 0.000) 20.116 2.556 ( 0.000 -10.263 0.000) 10.263 3.544 ( 0.000 -3.484 0.000) 3.484 3.820 ( 0.000 34.771 0.000) 34.771 3.828 ( 0.000 22.688 0.000) 22.688 6.519 ( 0.000 17.723 0.000) 17.723 6.823 ( 0.000 8.809 0.000) 8.809 6.898 ( 0.000 7.325 0.000) 7.325 7.214 ( 0.000 2.914 0.000) 2.914 7.602 ( 0.000 -3.486 0.000) 3.486 7.647 ( 0.000 -4.273 0.000) 4.273 7.658 ( 0.000 -3.514 0.000) 3.514 8.130 ( 0.000 -0.966 0.000) 0.966 8.623 ( 0.000 1.783 0.000) 1.783 9.562 ( 0.000 -1.175 0.000) 1.175 9.788 ( 0.000 -1.663 0.000) 1.663 10.063 ( 0.000 -3.843 0.000) 3.843 14.827 ( 0.000 -1.629 0.000) 1.629 14.900 ( 0.000 -1.663 0.000) 1.663 ======================= Grid point 12 (8/256) ======================= q-point: ( 0.10 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 8.653 19.217 -0.378) 21.079 0.820 ( 27.299 12.800 1.457) 30.186 1.209 ( 20.104 37.894 1.013) 42.908 2.230 ( 16.367 -4.629 -1.143) 17.048 2.503 ( 19.913 -3.333 0.251) 20.191 2.530 ( -0.983 19.345 -0.142) 19.370 2.746 ( 18.198 -8.484 -0.260) 20.080 3.523 ( -1.503 -3.813 -0.122) 4.100 3.908 ( 8.519 33.657 0.034) 34.718 3.927 ( 9.178 23.031 -0.164) 24.792 6.513 ( -0.641 17.275 0.145) 17.288 6.818 ( -0.388 8.833 -0.176) 8.844 6.891 ( -0.699 7.115 -0.035) 7.150 7.158 ( -14.626 18.175 -0.832) 23.345 7.478 ( -20.133 23.565 -1.566) 31.034 7.595 ( -1.067 -3.306 -2.570) 4.321 7.637 ( -1.194 -4.095 2.844) 5.127 7.705 ( 5.205 -3.581 0.421) 6.332 8.761 ( 6.319 -0.773 -2.817) 6.962 9.561 ( -0.073 -1.659 0.482) 1.730 9.604 ( -13.767 -1.812 0.448) 13.893 10.169 ( 6.414 -3.427 0.161) 7.275 14.929 ( 9.775 -1.671 0.426) 9.926 15.006 ( 10.347 -1.653 0.114) 10.479 ======================= Grid point 13 (9/256) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 22.610 9.946 0.800) 24.714 1.254 ( 18.081 21.589 1.000) 28.178 1.740 ( 28.345 15.179 0.993) 32.169 2.432 ( -2.002 15.913 -0.226) 16.040 2.620 ( 16.143 -0.758 -0.684) 16.176 2.958 ( 20.500 -3.681 -0.296) 20.830 3.210 ( 26.302 -5.716 -1.576) 26.962 3.530 ( 4.547 -4.407 0.762) 6.378 4.132 ( 13.205 31.485 -0.020) 34.142 4.156 ( 13.189 23.418 -0.135) 26.877 6.496 ( -1.041 16.142 0.240) 16.178 6.763 ( -10.801 25.659 -1.187) 27.865 6.830 ( -3.197 9.709 -0.058) 10.223 6.873 ( -1.299 6.750 0.393) 6.885 7.451 ( 3.619 3.425 -1.144) 5.113 7.553 ( -2.272 -3.012 -0.805) 3.858 7.632 ( 1.161 -2.949 1.586) 3.544 7.853 ( 8.874 -3.356 0.742) 9.516 8.863 ( 4.586 0.235 -1.339) 4.783 9.300 ( -15.367 -1.100 0.125) 15.407 9.595 ( 2.920 -2.326 0.462) 3.762 10.257 ( 2.084 -3.106 0.049) 3.741 15.190 ( 15.641 -1.569 0.004) 15.719 15.283 ( 16.484 -1.658 0.318) 16.570 ======================= Grid point 14 (10/256) ======================= q-point: ( 0.30 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 24.721 5.012 1.647) 25.277 1.582 ( 14.780 20.469 0.847) 25.262 2.209 ( 17.034 8.353 -0.303) 18.974 2.357 ( -4.351 19.761 -0.163) 20.234 2.931 ( 13.841 -4.010 -0.047) 14.410 3.171 ( 3.010 -3.873 -1.282) 5.070 3.694 ( 21.985 -3.885 -2.236) 22.437 3.798 ( 18.908 -4.035 2.125) 19.450 4.398 ( 12.792 28.933 -0.150) 31.635 4.416 ( 12.266 23.606 -0.023) 26.602 6.476 ( -1.006 14.780 0.282) 14.817 6.588 ( -5.982 19.193 -0.449) 20.109 6.814 ( -0.277 6.654 -0.103) 6.661 6.848 ( -1.256 6.114 0.139) 6.244 7.460 ( -1.678 -2.331 -2.281) 3.668 7.518 ( -1.416 -2.707 1.661) 3.477 7.725 ( 7.235 0.938 0.328) 7.303 8.027 ( 7.504 -2.949 0.744) 8.097 8.924 ( 1.517 -0.069 -0.423) 1.577 9.024 ( -11.606 -0.135 -0.244) 11.610 9.689 ( 6.495 -2.517 0.155) 6.967 10.251 ( -2.555 -2.846 0.238) 3.832 15.508 ( 15.449 -1.452 -0.299) 15.520 15.618 ( 16.151 -1.705 0.464) 16.247 ======================= Grid point 15 (11/256) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 19.839 2.590 1.873) 20.095 1.837 ( 10.529 17.115 0.631) 20.104 2.267 ( -4.131 20.362 -0.188) 20.777 2.375 ( -0.216 7.624 -1.515) 7.776 3.147 ( 7.605 -3.783 0.276) 8.498 3.208 ( 2.180 -3.836 -0.756) 4.476 4.041 ( 12.584 -3.124 -0.903) 12.997 4.123 ( 11.799 -3.397 0.867) 12.309 4.607 ( 7.691 26.362 -0.233) 27.462 4.616 ( 7.326 24.302 0.084) 25.382 6.461 ( -0.414 13.728 0.287) 13.737 6.504 ( -2.755 14.810 -0.283) 15.067 6.810 ( -0.113 6.201 -0.136) 6.204 6.826 ( -0.899 5.912 0.120) 5.981 7.419 ( -1.580 -3.313 -0.984) 3.800 7.499 ( -0.825 -3.456 0.824) 3.647 7.882 ( 8.136 1.535 -0.003) 8.279 8.110 ( -0.105 -1.721 0.468) 1.787 8.871 ( -3.193 0.160 -0.408) 3.223 8.922 ( -1.607 -0.540 0.106) 1.698 9.843 ( 8.658 -2.496 -0.248) 9.014 10.163 ( -6.189 -2.654 0.453) 6.750 15.763 ( 9.455 -1.367 -0.273) 9.557 15.885 ( 9.812 -1.768 0.351) 9.977 ======================= Grid point 16 (12/256) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 9.849 0.000) 9.849 1.977 ( -0.000 6.981 0.000) 6.981 2.235 ( 0.000 15.768 0.000) 15.768 2.294 ( 0.000 13.091 0.000) 13.091 3.229 ( 0.000 -3.771 0.000) 3.771 3.231 ( -0.000 -3.412 -0.000) 3.412 4.167 ( 0.000 -2.938 0.000) 2.938 4.244 ( 0.000 -3.164 0.000) 3.164 4.685 ( 0.000 24.985 -0.000) 24.985 4.691 ( -0.000 25.015 0.000) 25.015 6.461 ( -0.000 13.626 0.000) 13.626 6.473 ( 0.000 13.291 0.000) 13.291 6.809 ( -0.000 5.823 0.000) 5.823 6.816 ( 0.000 6.059 -0.000) 6.059 7.401 ( 0.000 -3.463 -0.000) 3.463 7.491 ( 0.000 -3.696 0.000) 3.696 8.030 ( 0.000 0.325 -0.000) 0.325 8.037 ( -0.000 0.357 0.000) 0.357 8.870 ( 0.000 -0.557 -0.000) 0.557 8.881 ( -0.000 -0.328 0.000) 0.328 10.003 ( 0.000 -2.391 -0.000) 2.391 10.030 ( 0.000 -2.669 0.000) 2.669 15.859 ( 0.000 -1.337 0.000) 1.337 15.986 ( 0.000 -1.796 0.000) 1.796 ======================= Grid point 22 (13/256) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 24.880 0.000) 24.880 0.885 ( 0.000 25.567 0.000) 25.567 1.946 ( 0.000 42.148 0.000) 42.148 2.003 ( 0.000 2.056 0.000) 2.056 2.200 ( 0.000 -2.949 0.000) 2.949 2.416 ( 0.000 -4.106 0.000) 4.106 3.044 ( 0.000 26.514 0.000) 26.514 3.460 ( 0.000 -4.119 0.000) 4.119 4.405 ( 0.000 33.092 0.000) 33.092 4.592 ( 0.000 40.411 0.000) 40.411 6.967 ( 0.000 23.777 0.000) 23.777 7.048 ( 0.000 12.731 0.000) 12.731 7.066 ( 0.000 7.838 0.000) 7.838 7.281 ( 0.000 3.048 0.000) 3.048 7.497 ( 0.000 -6.924 0.000) 6.924 7.530 ( 0.000 -7.060 0.000) 7.060 7.595 ( 0.000 -0.265 0.000) 0.265 8.118 ( 0.000 0.335 0.000) 0.335 8.661 ( 0.000 1.697 0.000) 1.697 9.532 ( 0.000 -1.609 0.000) 1.609 9.738 ( 0.000 -3.272 0.000) 3.272 9.959 ( 0.000 -6.265 0.000) 6.265 14.782 ( 0.000 -2.789 0.000) 2.789 14.854 ( 0.000 -2.765 0.000) 2.765 ======================= Grid point 23 (14/256) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 3.970 25.288 -0.247) 25.599 1.110 ( 23.251 17.815 1.012) 29.309 2.036 ( 8.756 40.305 0.197) 41.246 2.183 ( 15.587 1.081 -0.729) 15.641 2.436 ( 21.374 -2.473 0.336) 21.519 2.624 ( 19.960 -4.064 -0.297) 20.372 3.023 ( -1.864 26.785 -0.018) 26.850 3.435 ( -1.992 -4.149 -0.092) 4.603 4.501 ( 9.112 32.769 0.067) 34.012 4.664 ( 6.984 39.733 -0.139) 40.343 6.950 ( -1.669 23.444 0.192) 23.504 7.036 ( -0.936 12.010 -0.784) 12.072 7.053 ( -1.312 7.435 0.924) 7.607 7.316 ( 2.311 3.967 -0.301) 4.601 7.503 ( 0.036 -6.331 -1.347) 6.473 7.552 ( -0.185 -1.469 1.732) 2.278 7.605 ( 4.024 -5.563 -0.152) 6.867 7.826 ( -21.559 9.786 -0.247) 23.678 8.771 ( 7.500 1.643 -1.516) 7.826 9.522 ( -0.968 -2.086 0.377) 2.330 9.553 ( -13.212 -3.130 0.219) 13.579 10.076 ( 6.890 -5.677 -0.232) 8.931 14.883 ( 9.872 -2.758 0.088) 10.250 14.961 ( 10.344 -2.781 0.065) 10.712 ======================= Grid point 24 (15/256) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 15.335 20.790 0.296) 25.836 1.588 ( 22.519 13.992 0.719) 26.521 2.271 ( 13.832 32.489 0.110) 35.311 2.513 ( 15.891 0.974 -0.180) 15.922 2.912 ( 21.918 -0.410 -0.039) 21.921 2.972 ( -0.664 23.951 0.073) 23.960 3.130 ( 26.630 -0.931 -1.683) 26.699 3.427 ( 3.835 -4.867 0.790) 6.247 4.733 ( 13.340 32.462 0.063) 35.096 4.848 ( 10.935 38.112 -0.180) 39.650 6.907 ( -2.662 22.223 0.295) 22.383 7.012 ( -1.307 9.448 -0.852) 9.575 7.026 ( -1.576 8.651 1.088) 8.860 7.245 ( -11.528 15.875 -0.718) 19.632 7.457 ( -4.718 -2.229 -2.835) 5.938 7.505 ( -3.846 -0.706 2.093) 4.435 7.607 ( 4.182 1.316 0.652) 4.432 7.757 ( 9.359 -6.036 0.530) 11.149 8.895 ( 4.914 3.200 -1.101) 5.967 9.273 ( -13.802 -1.358 0.067) 13.869 9.534 ( 2.134 -3.476 0.343) 4.093 10.171 ( 2.469 -5.282 -0.090) 5.831 15.147 ( 15.784 -2.646 -0.042) 16.004 15.236 ( 16.436 -2.854 0.185) 16.683 ======================= Grid point 25 (16/256) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 20.259 14.808 0.899) 25.110 1.967 ( 15.364 15.868 0.324) 22.089 2.525 ( 9.986 21.742 -0.719) 23.937 2.728 ( 3.638 10.218 0.450) 10.856 3.003 ( 6.316 16.788 -0.082) 17.937 3.139 ( 3.348 2.103 -0.793) 4.033 3.625 ( 22.483 -2.874 -1.892) 22.745 3.713 ( 20.516 -4.037 1.807) 20.987 4.997 ( 12.525 32.489 0.012) 34.820 5.068 ( 10.544 36.249 -0.130) 37.752 6.852 ( -2.718 20.386 0.289) 20.568 6.974 ( -5.173 12.585 -0.026) 13.606 6.987 ( -1.884 7.911 -0.229) 8.135 7.032 ( -5.219 17.428 0.122) 18.193 7.384 ( -2.842 -4.730 -2.336) 5.992 7.440 ( -3.026 -3.877 1.875) 5.263 7.751 ( 8.207 0.609 0.302) 8.235 7.941 ( 8.214 -5.494 0.534) 9.896 8.949 ( 0.794 3.203 -0.435) 3.329 9.030 ( -10.048 1.062 -0.240) 10.107 9.621 ( 6.433 -4.110 0.098) 7.634 10.172 ( -2.208 -4.846 0.148) 5.327 15.468 ( 15.564 -2.500 -0.179) 15.764 15.570 ( 16.068 -2.989 0.271) 16.346 ======================= Grid point 26 (17/256) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 18.250 10.732 1.239) 21.208 2.187 ( 5.870 15.267 -0.084) 16.357 2.619 ( 0.738 16.185 -1.812) 16.303 2.711 ( -3.284 19.638 0.857) 19.929 3.157 ( 6.728 7.358 -0.050) 9.971 3.198 ( 3.375 5.024 -0.168) 6.055 3.983 ( 12.992 -2.503 -0.576) 13.244 4.057 ( 12.317 -3.078 0.529) 12.707 5.204 ( 7.804 32.865 -0.027) 33.778 5.238 ( 6.094 34.651 -0.051) 35.183 6.808 ( -1.605 18.572 0.243) 18.643 6.852 ( -4.569 17.260 -0.233) 17.856 6.967 ( -0.573 8.176 0.099) 8.197 6.993 ( -1.029 11.340 0.068) 11.387 7.330 ( -1.882 -4.833 -1.126) 5.307 7.399 ( -1.472 -5.879 0.935) 6.132 7.907 ( 7.201 0.103 0.045) 7.202 8.051 ( 2.101 -4.331 0.390) 4.829 8.894 ( -3.295 2.615 -0.370) 4.222 8.934 ( -1.944 2.458 0.033) 3.134 9.775 ( 8.699 -4.042 -0.234) 9.595 10.090 ( -5.937 -4.444 0.362) 7.425 15.724 ( 9.517 -2.385 -0.159) 9.812 15.835 ( 9.748 -3.126 0.207) 10.239 ======================= Grid point 27 (18/256) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.000 9.671 -0.000) 9.671 2.156 ( 0.000 10.926 0.000) 10.926 2.629 ( -0.000 20.072 0.000) 20.072 2.653 ( 0.000 19.470 0.000) 19.470 3.227 ( 0.000 5.681 0.000) 5.681 3.239 ( -0.000 6.199 0.000) 6.199 4.114 ( 0.000 -2.228 0.000) 2.228 4.181 ( 0.000 -2.934 0.000) 2.934 5.289 ( -0.000 33.620 -0.000) 33.620 5.295 ( 0.000 33.499 0.000) 33.499 6.799 ( -0.794 17.277 -0.188) 17.297 6.799 ( 0.794 17.550 0.188) 17.569 6.962 ( 0.000 8.992 0.000) 8.992 6.981 ( -0.000 10.156 -0.000) 10.156 7.310 ( 0.000 -4.934 0.000) 4.934 7.386 ( 0.000 -6.383 0.000) 6.383 8.021 ( 0.000 -1.843 -0.000) 1.843 8.029 ( -0.000 -1.766 0.000) 1.766 8.880 ( 0.000 2.252 0.000) 2.252 8.898 ( -0.000 2.641 0.000) 2.641 9.937 ( -0.000 -3.892 -0.000) 3.892 9.957 ( 0.000 -4.379 0.000) 4.379 15.821 ( 0.000 -2.341 0.000) 2.341 15.935 ( 0.000 -3.184 0.000) 3.184 ======================= Grid point 33 (19/256) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 25.875 0.000) 25.875 1.391 ( 0.000 24.205 0.000) 24.205 2.069 ( 0.000 3.263 0.000) 3.263 2.151 ( 0.000 -1.947 0.000) 1.947 2.384 ( 0.000 3.161 0.000) 3.161 2.678 ( 0.000 25.317 0.000) 25.317 3.444 ( 0.000 5.779 0.000) 5.779 3.559 ( 0.000 23.962 0.000) 23.962 5.100 ( 0.000 35.118 0.000) 35.118 5.391 ( 0.000 38.327 0.000) 38.327 7.095 ( 0.000 -4.745 0.000) 4.745 7.280 ( 0.000 4.178 0.000) 4.178 7.304 ( 0.000 -1.047 0.000) 1.047 7.339 ( 0.000 11.417 0.000) 11.417 7.355 ( 0.000 -2.146 0.000) 2.146 7.373 ( 0.000 -7.501 0.000) 7.501 7.820 ( 0.000 22.700 0.000) 22.700 8.170 ( 0.000 5.247 0.000) 5.247 8.684 ( 0.000 0.593 0.000) 0.593 9.503 ( 0.000 -1.211 0.000) 1.211 9.657 ( 0.000 -4.864 0.000) 4.864 9.825 ( 0.000 -6.694 0.000) 6.694 14.720 ( 0.000 -3.210 0.000) 3.210 14.794 ( 0.000 -3.219 0.000) 3.219 ======================= Grid point 34 (20/256) ======================= q-point: ( 0.10 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 3.213 24.665 -0.086) 24.874 1.520 ( 16.076 22.330 0.573) 27.521 2.256 ( 16.064 4.629 -1.212) 16.762 2.398 ( 22.296 -1.360 1.214) 22.370 2.565 ( 17.554 1.439 0.161) 17.613 2.728 ( 5.244 21.783 -0.912) 22.424 3.431 ( -0.963 7.436 0.175) 7.500 3.546 ( -1.256 24.338 0.144) 24.371 5.187 ( 8.400 34.625 0.189) 35.630 5.452 ( 5.980 37.927 -0.217) 38.396 7.074 ( -1.867 -5.030 -0.001) 5.365 7.277 ( -0.381 5.616 0.169) 5.632 7.299 ( -1.298 3.360 1.764) 4.011 7.307 ( -1.729 4.524 -1.593) 5.099 7.399 ( 4.663 -2.020 0.312) 5.091 7.452 ( 6.466 -6.320 -0.266) 9.045 7.781 ( -3.789 21.682 0.122) 22.011 7.979 ( -15.272 7.357 -0.017) 16.951 8.814 ( 9.788 2.444 -0.676) 10.111 9.482 ( -7.912 -2.637 0.432) 8.351 9.485 ( -5.557 -2.579 -0.157) 6.129 9.951 ( 7.181 -6.607 -0.243) 9.761 14.823 ( 9.956 -3.168 0.066) 10.448 14.899 ( 10.282 -3.271 -0.029) 10.790 ======================= Grid point 35 (21/256) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 10.561 22.887 0.167) 25.207 1.897 ( 19.970 17.195 0.502) 26.358 2.584 ( 15.857 5.649 -0.324) 16.836 2.802 ( 4.966 14.390 -0.663) 15.237 2.924 ( 27.387 0.947 0.286) 27.405 3.066 ( 26.490 -0.628 -0.791) 26.509 3.437 ( 2.722 11.189 0.702) 11.537 3.523 ( -0.293 24.828 0.118) 24.830 5.406 ( 12.839 33.736 0.229) 36.097 5.610 ( 9.454 36.941 -0.290) 38.132 7.032 ( -2.238 -4.989 0.229) 5.473 7.248 ( -3.563 1.241 -0.664) 3.831 7.268 ( -0.658 3.752 0.700) 3.873 7.275 ( -1.365 11.217 0.163) 11.301 7.528 ( 6.625 0.371 -0.391) 6.647 7.568 ( 1.749 -3.555 0.200) 3.967 7.673 ( -13.258 8.672 0.146) 15.843 7.714 ( 0.551 13.290 0.279) 13.305 8.990 ( 7.043 5.956 -0.669) 9.247 9.254 ( -10.688 -0.313 0.004) 10.693 9.464 ( 0.461 -3.322 0.161) 3.357 10.053 ( 2.950 -6.263 -0.119) 6.924 15.088 ( 15.907 -3.064 0.061) 16.200 15.172 ( 16.306 -3.421 -0.018) 16.661 ======================= Grid point 36 (22/256) ======================= q-point: ( 0.30 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 15.037 18.406 0.460) 23.772 2.260 ( 15.358 14.562 0.232) 21.165 2.844 ( 6.353 6.192 -1.419) 8.984 2.859 ( 4.546 6.340 0.088) 7.802 3.333 ( 11.153 15.888 0.200) 19.413 3.437 ( 5.367 17.602 0.069) 18.402 3.619 ( 17.457 5.618 -0.007) 18.338 3.677 ( 18.834 3.906 0.263) 19.237 5.666 ( 12.534 33.223 0.138) 35.509 5.800 ( 9.108 35.793 -0.208) 36.934 6.993 ( -1.605 -4.342 0.469) 4.653 7.163 ( -4.713 0.275 -0.610) 4.760 7.245 ( -1.432 14.217 0.608) 14.301 7.264 ( -0.059 4.319 -0.148) 4.321 7.416 ( -8.992 13.929 -0.908) 16.604 7.474 ( -7.236 6.798 0.800) 9.961 7.716 ( 8.329 -4.020 0.202) 9.251 7.834 ( 7.412 -3.194 0.284) 8.076 9.059 ( -0.138 7.133 -0.355) 7.143 9.077 ( -6.532 3.974 -0.162) 7.648 9.534 ( 6.499 -4.304 0.015) 7.795 10.065 ( -1.615 -5.598 0.067) 5.827 15.412 ( 15.672 -2.942 0.023) 15.945 15.503 ( 15.912 -3.631 0.009) 16.321 ======================= Grid point 37 (23/256) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 14.622 13.634 0.722) 20.005 2.453 ( 2.601 11.955 -0.287) 12.238 2.864 ( 2.312 7.169 -1.409) 7.663 2.968 ( 1.623 8.218 0.541) 8.394 3.472 ( 4.367 21.427 0.280) 21.870 3.496 ( 2.574 21.854 0.036) 22.005 3.955 ( 13.060 0.320 0.060) 13.064 4.014 ( 12.360 -0.740 -0.077) 12.382 5.878 ( 8.330 33.361 0.024) 34.385 5.945 ( 4.967 34.800 -0.071) 35.153 6.975 ( -0.283 -3.077 0.556) 3.140 7.071 ( -3.974 1.513 -0.531) 4.286 7.222 ( -0.964 15.628 0.299) 15.660 7.268 ( 0.534 3.393 -0.198) 3.440 7.282 ( -4.483 13.625 -0.530) 14.353 7.352 ( -4.748 3.557 0.598) 5.963 7.865 ( 6.247 -4.120 -0.019) 7.483 7.946 ( 3.165 -5.393 0.295) 6.260 8.984 ( -2.224 6.133 -0.268) 6.529 9.031 ( -2.380 6.880 0.005) 7.280 9.693 ( 8.817 -3.799 -0.196) 9.603 9.995 ( -5.368 -4.799 0.230) 7.204 15.671 ( 9.579 -2.844 0.002) 9.992 15.764 ( 9.640 -3.820 0.017) 10.369 ======================= Grid point 38 (24/256) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -0.000 10.408 0.000) 10.408 2.378 ( 0.000 10.716 0.000) 10.716 2.929 ( 0.000 10.159 0.000) 10.159 2.948 ( -0.000 9.979 0.000) 9.979 3.515 ( -0.000 21.346 0.000) 21.346 3.528 ( 0.000 20.765 0.000) 20.765 4.089 ( 0.000 0.155 -0.000) 0.155 4.137 ( 0.000 -1.132 0.000) 1.132 5.979 ( -0.000 34.151 -0.000) 34.151 5.981 ( 0.000 33.831 0.000) 33.831 6.979 ( 0.000 -2.163 0.000) 2.163 7.023 ( 0.000 1.712 0.000) 1.712 7.215 ( 0.000 14.927 0.000) 14.927 7.233 ( -0.000 13.693 -0.000) 13.693 7.285 ( -0.000 4.844 0.000) 4.844 7.295 ( 0.000 0.867 0.000) 0.867 7.947 ( 0.000 -5.067 -0.000) 5.067 7.958 ( -0.000 -4.851 0.000) 4.851 8.971 ( 0.000 6.556 0.000) 6.556 8.997 ( -0.000 6.880 0.000) 6.880 9.857 ( -0.000 -3.760 0.000) 3.760 9.866 ( 0.000 -4.352 0.000) 4.352 15.769 ( 0.000 -2.806 0.000) 2.806 15.863 ( 0.000 -3.897 0.000) 3.897 ======================= Grid point 44 (25/256) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 21.307 0.000) 21.307 1.835 ( 0.000 19.745 0.000) 19.745 2.078 ( 0.000 -1.787 0.000) 1.787 2.132 ( 0.000 1.305 0.000) 1.305 2.540 ( 0.000 11.032 0.000) 11.032 2.890 ( 0.000 -0.366 0.000) 0.366 3.766 ( 0.000 22.056 0.000) 22.056 3.980 ( 0.000 17.608 0.000) 17.608 5.779 ( 0.000 31.879 0.000) 31.879 6.098 ( 0.000 31.589 0.000) 31.589 6.950 ( 0.000 -7.867 0.000) 7.867 7.144 ( 0.000 -8.354 0.000) 8.354 7.188 ( 0.000 -9.134 0.000) 9.134 7.227 ( 0.000 -5.907 0.000) 5.907 7.521 ( 0.000 7.345 0.000) 7.345 7.532 ( 0.000 9.096 0.000) 9.096 8.309 ( 0.000 22.967 0.000) 22.967 8.327 ( 0.000 10.051 0.000) 10.051 8.694 ( 0.000 0.754 0.000) 0.754 9.486 ( 0.000 -0.538 0.000) 0.538 9.543 ( 0.000 -6.520 0.000) 6.520 9.701 ( 0.000 -5.564 0.000) 5.564 14.658 ( 0.000 -2.850 0.000) 2.850 14.729 ( 0.000 -3.195 0.000) 3.195 ======================= Grid point 45 (26/256) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 3.223 19.994 0.097) 20.252 1.973 ( 12.375 21.896 0.353) 25.154 2.302 ( 20.158 -0.035 -2.084) 20.266 2.373 ( 22.359 -1.149 2.382) 22.515 2.664 ( 12.367 8.544 -0.106) 15.032 2.898 ( 0.865 -0.823 -0.764) 1.418 3.784 ( 1.908 22.600 -0.232) 22.681 3.975 ( -0.458 18.079 0.519) 18.092 5.856 ( 7.443 31.337 0.261) 32.210 6.154 ( 5.423 31.395 -0.259) 31.861 6.928 ( -1.845 -7.798 0.016) 8.013 7.128 ( -1.690 -8.216 0.064) 8.388 7.239 ( 5.040 -9.094 0.061) 10.398 7.290 ( 5.662 -6.025 0.193) 8.270 7.518 ( -0.419 7.655 -0.228) 7.670 7.520 ( -1.038 8.552 0.209) 8.618 8.145 ( -13.303 9.112 -0.031) 16.124 8.242 ( -6.483 21.257 0.079) 22.223 8.871 ( 12.942 3.472 -0.204) 13.401 9.414 ( -8.349 -3.181 0.065) 8.934 9.461 ( -2.311 -0.655 -0.025) 2.402 9.817 ( 7.076 -6.670 -0.121) 9.725 14.761 ( 10.015 -2.827 0.105) 10.407 14.833 ( 10.174 -3.256 -0.104) 10.683 ======================= Grid point 46 (27/256) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 7.651 18.719 0.173) 20.223 2.266 ( 16.008 19.023 0.354) 24.865 2.705 ( 17.598 5.506 -0.638) 18.450 2.854 ( 8.708 -4.328 0.737) 9.752 2.955 ( 22.470 2.522 0.208) 22.612 3.064 ( 24.126 1.248 -1.089) 24.183 3.843 ( 4.159 23.028 -0.385) 23.404 3.971 ( 0.189 19.241 0.818) 19.260 6.054 ( 11.766 30.120 0.366) 32.339 6.297 ( 8.614 30.908 -0.369) 32.088 6.889 ( -1.964 -7.598 0.240) 7.851 7.083 ( -2.680 -8.429 -0.439) 8.856 7.355 ( 5.590 -6.716 0.735) 8.768 7.432 ( 8.003 -6.813 0.118) 10.511 7.488 ( -1.850 9.413 0.084) 9.594 7.515 ( -0.023 5.016 -0.201) 5.020 7.888 ( -11.687 10.823 -0.132) 15.929 8.077 ( -9.223 17.178 0.113) 19.497 9.119 ( 10.916 6.667 -0.209) 12.793 9.267 ( -6.139 1.618 -0.045) 6.349 9.409 ( -2.096 -2.018 -0.001) 2.910 9.926 ( 3.626 -6.336 -0.073) 7.300 15.029 ( 15.983 -2.777 0.179) 16.224 15.103 ( 16.124 -3.418 -0.179) 16.483 ======================= Grid point 47 (28/256) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 10.437 15.339 0.237) 18.554 2.559 ( 11.623 14.486 0.246) 18.574 2.887 ( 1.976 -0.437 -0.798) 2.175 2.987 ( 10.733 7.666 0.048) 13.190 3.485 ( 23.956 2.271 0.348) 24.065 3.557 ( 22.281 0.928 -0.347) 22.303 3.941 ( 5.673 21.389 -0.373) 22.132 3.997 ( 2.551 19.403 0.717) 19.584 6.297 ( 11.992 28.966 0.310) 31.352 6.470 ( 8.298 30.344 -0.312) 31.460 6.857 ( -1.173 -7.418 0.464) 7.525 7.023 ( -3.230 -8.398 -0.679) 9.023 7.431 ( 1.226 1.788 0.690) 2.275 7.449 ( -1.513 7.021 0.086) 7.183 7.504 ( -1.719 0.678 -0.231) 1.862 7.568 ( 2.664 -3.528 0.402) 4.439 7.723 ( -2.441 10.254 -0.333) 10.545 7.929 ( -4.475 10.591 0.110) 11.498 9.167 ( -3.514 5.297 -0.076) 6.357 9.224 ( -1.257 7.527 -0.136) 7.632 9.462 ( 8.150 -2.159 -0.052) 8.431 9.956 ( -0.519 -5.143 0.004) 5.169 15.354 ( 15.735 -2.727 0.199) 15.971 15.429 ( 15.719 -3.622 -0.201) 16.132 ======================= Grid point 48 (29/256) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 10.222 11.024 0.345) 15.038 2.652 ( -1.793 6.830 -0.266) 7.066 2.993 ( 8.028 7.898 -0.428) 11.270 3.131 ( 3.491 8.691 0.137) 9.367 3.831 ( 10.068 8.877 -0.036) 13.422 3.864 ( 8.129 10.021 0.225) 12.905 4.066 ( 6.840 13.757 0.068) 15.364 4.091 ( 6.294 11.677 -0.046) 13.265 6.507 ( 8.587 28.494 0.193) 29.760 6.600 ( 4.265 29.803 -0.188) 30.107 6.849 ( 0.195 -7.319 0.566) 7.344 6.958 ( -2.941 -8.128 -0.697) 8.672 7.399 ( -2.190 6.097 -0.024) 6.478 7.430 ( -3.382 0.542 0.237) 3.434 7.465 ( 0.294 8.971 0.178) 8.977 7.527 ( -3.140 8.071 0.118) 8.661 7.793 ( 5.320 -0.436 -0.270) 5.345 7.896 ( -0.266 2.105 0.212) 2.132 9.119 ( -1.268 6.604 -0.123) 6.726 9.171 ( -2.738 5.896 0.015) 6.501 9.643 ( 8.910 -0.629 -0.109) 8.933 9.909 ( -4.077 -3.472 0.076) 5.355 15.614 ( 9.616 -2.688 0.140) 9.986 15.687 ( 9.513 -3.797 -0.141) 10.244 ======================= Grid point 49 (30/256) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -0.000 7.399 0.000) 7.399 2.562 ( 0.000 7.183 0.000) 7.183 3.115 ( 0.000 9.604 0.000) 9.604 3.132 ( -0.000 9.631 0.000) 9.631 3.918 ( 0.000 13.848 0.000) 13.848 3.933 ( 0.000 16.055 0.000) 16.055 4.155 ( -0.000 8.485 -0.000) 8.485 4.164 ( 0.000 5.892 0.000) 5.892 6.617 ( -0.000 28.801 0.000) 28.801 6.623 ( 0.000 29.266 0.000) 29.266 6.858 ( 0.000 -7.236 -0.000) 7.236 6.920 ( 0.000 -8.019 0.000) 8.019 7.372 ( 0.000 3.987 0.000) 3.987 7.390 ( 0.000 4.208 0.000) 4.208 7.483 ( 0.000 9.152 0.000) 9.152 7.484 ( -0.000 9.659 -0.000) 9.659 7.865 ( 0.000 -1.236 -0.000) 1.236 7.882 ( -0.000 -1.000 0.000) 1.000 9.110 ( 0.000 6.251 0.000) 6.251 9.140 ( 0.000 6.305 0.000) 6.305 9.798 ( -0.000 -1.945 0.000) 1.945 9.802 ( 0.000 -1.454 -0.000) 1.454 15.713 ( 0.000 -2.671 0.000) 2.671 15.784 ( 0.000 -3.867 0.000) 3.867 ======================= Grid point 55 (31/256) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 0.103 0.000) 0.103 2.031 ( 0.000 -2.365 0.000) 2.365 2.178 ( 0.000 14.336 0.000) 14.336 2.363 ( 0.000 18.549 0.000) 18.549 2.757 ( 0.000 8.595 0.000) 8.595 2.823 ( 0.000 -3.853 0.000) 3.853 4.158 ( 0.000 15.435 0.000) 15.435 4.259 ( 0.000 10.249 0.000) 10.249 6.350 ( 0.000 24.402 0.000) 24.402 6.637 ( 0.000 21.676 0.000) 21.676 6.823 ( 0.000 -4.208 0.000) 4.208 6.985 ( 0.000 -7.581 0.000) 7.581 7.027 ( 0.000 -6.433 0.000) 6.433 7.094 ( 0.000 -6.615 0.000) 6.615 7.643 ( 0.000 4.859 0.000) 4.859 7.677 ( 0.000 5.278 0.000) 5.278 8.548 ( 0.000 11.679 0.000) 11.679 8.689 ( 0.000 14.293 0.000) 14.293 8.729 ( 0.000 3.011 0.000) 3.011 9.395 ( 0.000 -8.214 0.000) 8.214 9.481 ( 0.000 0.027 0.000) 0.027 9.606 ( 0.000 -3.864 0.000) 3.864 14.610 ( 0.000 -1.858 0.000) 1.858 14.668 ( 0.000 -2.793 0.000) 2.793 ======================= Grid point 56 (32/256) ======================= q-point: ( 0.10 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 5.466 7.759 0.403) 9.500 2.272 ( 21.943 2.578 0.082) 22.094 2.323 ( 21.166 4.542 0.151) 21.648 2.452 ( 8.824 15.055 0.241) 17.452 2.819 ( 3.658 -0.403 -0.303) 3.693 2.867 ( 7.323 5.143 -0.292) 8.954 4.177 ( 1.945 15.205 -0.904) 15.355 4.263 ( 0.411 10.695 0.945) 10.745 6.416 ( 6.334 23.779 0.300) 24.610 6.688 ( 4.949 21.061 -0.151) 21.635 6.805 ( -1.418 -3.567 -0.053) 3.839 6.983 ( -1.712 -6.132 0.099) 6.367 7.060 ( 4.922 -8.257 -0.165) 9.614 7.157 ( 5.439 -6.397 0.001) 8.397 7.639 ( -0.346 4.888 -0.112) 4.901 7.668 ( -0.871 5.507 0.161) 5.578 8.331 ( -13.270 9.276 0.101) 16.191 8.577 ( -10.235 11.511 -0.016) 15.404 8.961 ( 14.783 5.634 -0.021) 15.820 9.358 ( -2.562 -2.412 -0.009) 3.519 9.457 ( -2.320 0.202 -0.056) 2.329 9.687 ( 6.247 -6.105 0.026) 8.735 14.713 ( 10.032 -1.859 0.110) 10.203 14.771 ( 10.072 -2.836 -0.121) 10.465 ======================= Grid point 57 (33/256) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 5.820 10.799 0.235) 12.270 2.631 ( 10.612 15.342 0.261) 18.656 2.729 ( 13.513 -3.420 0.321) 13.943 2.822 ( 22.194 4.290 0.279) 22.607 3.000 ( 22.139 1.825 -0.149) 22.215 3.126 ( 18.867 4.146 -0.611) 19.327 4.229 ( 3.477 14.443 -1.337) 14.915 4.284 ( 1.526 11.936 1.419) 12.116 6.585 ( 9.976 21.926 0.501) 24.094 6.759 ( -0.941 -2.197 0.378) 2.420 6.836 ( 7.376 19.653 -0.479) 20.997 6.938 ( -2.551 -5.745 -0.546) 6.309 7.182 ( 6.544 -8.684 0.333) 10.878 7.287 ( 7.110 -6.443 -0.211) 9.598 7.629 ( -0.626 5.050 -0.167) 5.091 7.649 ( -0.984 6.070 0.312) 6.157 8.093 ( -10.383 9.607 0.125) 14.146 8.338 ( -12.528 8.631 -0.005) 15.213 9.246 ( 13.369 5.511 0.034) 14.460 9.310 ( -2.172 2.211 -0.015) 3.099 9.393 ( -3.990 0.810 -0.085) 4.072 9.802 ( 4.745 -5.915 -0.003) 7.583 14.981 ( 15.993 -1.873 0.205) 16.103 15.039 ( 15.966 -2.941 -0.221) 16.236 ======================= Grid point 58 (34/256) ======================= q-point: ( 0.30 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 7.066 9.053 0.130) 11.485 2.732 ( 0.905 0.250 0.157) 0.952 2.968 ( 12.812 11.176 0.094) 17.002 3.153 ( 11.884 8.541 -0.033) 14.635 3.523 ( 25.030 1.696 0.535) 25.093 3.576 ( 23.197 0.970 -0.621) 23.226 4.301 ( 3.863 13.340 -0.857) 13.915 4.330 ( 2.580 13.275 0.943) 13.556 6.735 ( -1.057 -4.070 0.338) 4.219 6.784 ( 8.587 16.035 0.815) 18.208 6.886 ( -1.401 -2.325 -0.734) 2.812 6.997 ( 7.746 21.372 -0.606) 22.740 7.293 ( 4.074 -8.515 0.440) 9.449 7.407 ( 4.215 -5.140 -0.436) 6.661 7.616 ( -0.462 5.662 -0.070) 5.682 7.640 ( 0.249 6.147 0.396) 6.165 7.933 ( -5.433 9.747 0.063) 11.159 8.121 ( -8.689 7.448 0.037) 11.445 9.262 ( -2.274 3.625 0.037) 4.279 9.306 ( -4.252 0.380 -0.054) 4.270 9.493 ( 10.940 5.359 -0.012) 12.182 9.865 ( 1.507 -3.892 -0.034) 4.174 15.307 ( 15.727 -1.913 0.249) 15.845 15.361 ( 15.565 -3.059 -0.266) 15.865 ======================= Grid point 59 (35/256) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 6.492 6.241 0.107) 9.006 2.718 ( -2.036 0.647 -0.026) 2.137 3.199 ( 9.615 11.601 0.089) 15.068 3.316 ( 4.597 9.355 -0.044) 10.424 3.917 ( 13.823 2.443 0.286) 14.040 3.946 ( 13.094 1.718 -0.257) 13.208 4.370 ( 2.877 12.466 0.099) 12.794 4.380 ( 2.049 13.389 -0.064) 13.545 6.726 ( 0.099 -4.394 0.405) 4.414 6.807 ( -2.371 -5.493 -0.256) 5.989 6.985 ( 7.320 16.494 0.185) 18.047 7.110 ( 2.907 19.292 -0.495) 19.516 7.347 ( 1.949 -4.738 0.431) 5.141 7.437 ( -0.674 -0.462 -0.415) 0.916 7.617 ( 0.557 6.275 -0.001) 6.300 7.648 ( -0.143 5.577 0.262) 5.585 7.888 ( 0.707 7.486 -0.101) 7.520 7.998 ( -4.182 6.040 0.139) 7.348 9.218 ( -2.139 2.734 -0.038) 3.472 9.239 ( -2.131 1.107 0.035) 2.401 9.679 ( 7.744 3.793 0.007) 8.623 9.863 ( -1.633 -1.159 -0.041) 2.003 15.567 ( 9.608 -1.959 0.188) 9.807 15.616 ( 9.417 -3.145 -0.198) 9.930 ======================= Grid point 60 (36/256) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -0.000 3.470 0.000) 3.470 2.661 ( 0.000 2.986 0.000) 2.986 3.321 ( 0.000 10.485 0.000) 10.485 3.339 ( -0.000 10.422 0.000) 10.422 4.056 ( 0.000 3.210 0.000) 3.210 4.077 ( 0.000 2.364 0.000) 2.364 4.400 ( 0.000 12.712 0.000) 12.712 4.403 ( -0.000 12.138 -0.000) 12.138 6.734 ( 0.000 -4.541 0.000) 4.541 6.774 ( -0.000 -5.782 0.000) 5.782 7.090 ( 0.000 15.546 0.000) 15.546 7.105 ( -0.000 15.759 -0.000) 15.759 7.387 ( 0.000 1.006 0.000) 1.006 7.407 ( 0.000 0.973 0.000) 0.973 7.630 ( 0.000 6.107 0.000) 6.107 7.638 ( -0.000 6.263 0.000) 6.263 7.923 ( 0.000 5.490 -0.000) 5.490 7.940 ( -0.000 5.309 0.000) 5.309 9.194 ( 0.000 1.940 0.000) 1.940 9.220 ( 0.000 1.522 0.000) 1.522 9.796 ( -0.000 1.563 0.000) 1.563 9.805 ( 0.000 1.594 0.000) 1.594 15.665 ( 0.000 -1.980 0.000) 1.980 15.712 ( 0.000 -3.177 0.000) 3.177 ======================= Grid point 66 (37/256) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.000 -1.217 0.000) 1.217 1.999 ( 0.000 -1.120 0.000) 1.120 2.416 ( 0.000 9.659 0.000) 9.659 2.698 ( 0.000 13.736 0.000) 13.736 2.703 ( 0.000 -5.783 0.000) 5.783 2.907 ( 0.000 3.506 0.000) 3.506 4.372 ( 0.000 6.283 0.000) 6.283 4.399 ( 0.000 4.094 0.000) 4.094 6.717 ( 0.000 10.641 0.000) 10.641 6.790 ( 0.000 0.785 0.000) 0.785 6.855 ( 0.000 -4.760 0.000) 4.760 6.918 ( 0.000 -3.065 0.000) 3.065 6.961 ( 0.000 8.635 0.000) 8.635 7.004 ( 0.000 -0.783 0.000) 0.783 7.719 ( 0.000 2.798 0.000) 2.798 7.746 ( 0.000 1.773 0.000) 1.773 8.783 ( 0.000 11.555 0.000) 11.555 8.812 ( 0.000 4.804 0.000) 4.804 8.877 ( 0.000 4.655 0.000) 4.655 9.214 ( 0.000 -9.721 0.000) 9.721 9.487 ( 0.000 0.590 0.000) 0.590 9.544 ( 0.000 -2.436 0.000) 2.436 14.586 ( 0.000 -0.513 0.000) 0.513 14.619 ( 0.000 -2.010 0.000) 2.010 ======================= Grid point 67 (38/256) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 16.666 0.060 0.075) 16.666 2.253 ( 21.696 -2.013 1.288) 21.827 2.494 ( 10.562 8.699 -0.567) 13.694 2.719 ( 3.833 1.001 -0.278) 3.971 2.790 ( 7.643 7.921 0.078) 11.007 2.982 ( 7.312 3.056 -0.016) 7.925 4.385 ( 1.473 6.086 -1.190) 6.374 4.411 ( 1.137 4.339 1.058) 4.608 6.763 ( -0.338 2.133 -0.227) 2.171 6.771 ( 3.450 8.514 0.606) 9.207 6.876 ( -1.262 -4.288 0.271) 4.478 6.924 ( 3.995 -4.924 -0.127) 6.342 7.017 ( 5.523 10.107 -0.462) 11.527 7.076 ( 6.104 -0.406 -0.255) 6.122 7.716 ( -0.293 2.799 -0.113) 2.816 7.741 ( -0.526 1.902 0.220) 1.985 8.511 ( -13.585 8.435 0.102) 15.991 8.702 ( -13.407 1.337 -0.023) 13.474 9.090 ( 14.079 6.832 0.008) 15.650 9.307 ( 4.800 -3.169 -0.041) 5.752 9.470 ( -1.546 1.121 -0.001) 1.910 9.578 ( 3.838 -4.627 0.116) 6.013 14.689 ( 10.018 -0.526 0.066) 10.032 14.722 ( 10.013 -2.025 -0.080) 10.216 ======================= Grid point 68 (39/256) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 6.395 5.028 0.378) 8.144 2.601 ( 7.889 -5.248 0.770) 9.506 2.918 ( 25.962 5.110 -0.436) 26.464 2.950 ( 17.213 11.182 0.396) 20.530 3.025 ( 20.786 1.257 -0.132) 20.825 3.188 ( 13.945 1.154 -0.184) 13.993 4.424 ( 2.756 5.805 -1.020) 6.506 4.451 ( 2.638 4.782 0.839) 5.526 6.728 ( -1.809 0.393 0.150) 1.857 6.828 ( -2.320 -2.630 0.132) 3.510 6.902 ( 6.918 6.165 0.142) 9.267 7.034 ( 5.963 -5.573 0.130) 8.163 7.160 ( 8.601 10.702 -0.470) 13.738 7.224 ( 8.484 1.173 -0.471) 8.578 7.708 ( -0.343 2.882 -0.125) 2.905 7.730 ( -0.513 2.201 0.322) 2.283 8.271 ( -10.435 7.905 0.185) 13.092 8.432 ( -12.807 1.132 0.001) 12.857 9.316 ( 5.476 1.643 -0.049) 5.717 9.341 ( -0.679 0.720 0.062) 0.992 9.458 ( 3.325 5.308 0.032) 6.263 9.688 ( 6.239 -5.573 0.060) 8.366 14.956 ( 15.947 -0.576 0.127) 15.958 14.988 ( 15.886 -2.051 -0.149) 16.019 ======================= Grid point 69 (40/256) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 5.319 4.760 0.163) 7.140 2.683 ( 2.208 -3.395 0.355) 4.066 3.210 ( 11.908 10.687 0.179) 16.001 3.305 ( 12.209 5.827 0.057) 13.528 3.549 ( 25.470 0.849 0.385) 25.487 3.584 ( 23.386 -0.447 -0.425) 23.394 4.486 ( 3.461 5.769 -0.273) 6.733 4.512 ( 3.152 5.047 0.124) 5.952 6.696 ( -1.419 0.029 0.220) 1.436 6.775 ( -2.728 -3.278 -0.162) 4.268 7.035 ( 5.795 3.364 0.247) 6.705 7.134 ( 3.577 -5.634 0.061) 6.674 7.336 ( 8.719 10.925 -0.334) 13.982 7.392 ( 8.167 3.901 -0.553) 9.068 7.706 ( 0.183 3.220 -0.063) 3.226 7.727 ( 0.200 2.470 0.309) 2.497 8.105 ( -6.177 7.212 0.207) 9.498 8.218 ( -8.501 2.219 0.075) 8.786 9.295 ( -3.263 -0.332 0.028) 3.280 9.303 ( -3.130 0.290 0.005) 3.143 9.616 ( 8.887 6.006 0.054) 10.727 9.796 ( 4.261 -3.281 -0.018) 5.378 15.280 ( 15.651 -0.672 0.160) 15.666 15.309 ( 15.509 -2.052 -0.181) 15.646 ======================= Grid point 70 (41/256) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.098 3.142 0.055) 5.164 2.709 ( 0.282 -1.172 0.190) 1.220 3.413 ( 8.039 8.842 0.161) 11.951 3.477 ( 5.406 5.876 -0.036) 7.985 3.953 ( 14.337 1.160 0.312) 14.387 3.967 ( 13.803 0.466 -0.252) 13.813 4.549 ( 2.613 5.655 0.167) 6.232 4.566 ( 1.974 5.295 -0.250) 5.656 6.677 ( -0.424 -0.634 0.235) 0.798 6.724 ( -2.220 -2.741 -0.221) 3.534 7.123 ( 3.031 -0.396 0.154) 3.060 7.172 ( 0.462 -4.740 -0.026) 4.763 7.486 ( 6.068 10.894 -0.137) 12.471 7.524 ( 4.714 7.374 -0.390) 8.761 7.716 ( 0.734 3.525 -0.067) 3.602 7.734 ( 0.184 2.721 0.207) 2.735 8.028 ( -1.670 5.878 0.101) 6.112 8.094 ( -4.368 3.005 0.155) 5.304 9.231 ( -2.640 -0.382 -0.031) 2.667 9.245 ( -2.467 -0.476 0.061) 2.514 9.763 ( 5.733 4.018 0.046) 7.001 9.851 ( 1.227 -0.536 -0.049) 1.340 15.539 ( 9.544 -0.785 0.126) 9.577 15.564 ( 9.397 -2.022 -0.139) 9.613 ======================= Grid point 71 (42/256) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -0.000 1.307 0.000) 1.307 2.696 ( 0.000 0.823 0.000) 0.823 3.507 ( 0.000 7.346 0.000) 7.346 3.520 ( -0.000 6.884 0.000) 6.884 4.099 ( 0.000 1.282 0.000) 1.282 4.105 ( -0.000 0.761 -0.000) 0.761 4.579 ( 0.000 5.464 0.000) 5.464 4.584 ( -0.000 5.501 -0.000) 5.501 6.678 ( 0.000 -1.207 0.000) 1.207 6.696 ( -0.000 -2.221 -0.000) 2.221 7.162 ( 0.000 -2.826 0.000) 2.826 7.164 ( -0.000 -3.207 -0.000) 3.207 7.559 ( 0.000 10.338 0.000) 10.338 7.563 ( -0.000 9.831 0.000) 9.831 7.726 ( 0.000 3.346 0.000) 3.346 7.733 ( -0.000 3.089 0.000) 3.089 8.028 ( 0.000 4.210 0.000) 4.210 8.039 ( -0.000 3.792 0.000) 3.792 9.203 ( 0.000 -0.330 0.000) 0.330 9.218 ( -0.000 -1.009 0.000) 1.009 9.839 ( -0.000 2.038 -0.000) 2.038 9.845 ( 0.000 1.783 0.000) 1.783 15.636 ( 0.000 -0.839 0.000) 0.839 15.659 ( 0.000 -2.000 0.000) 2.000 ======================= Grid point 77 (43/256) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.000 -0.205 0.000) 0.205 1.984 ( 0.000 0.205 0.000) 0.205 2.578 ( 0.000 -6.871 0.000) 6.871 2.578 ( 0.000 6.871 0.000) 6.871 2.891 ( 0.000 -5.269 0.000) 5.269 2.891 ( 0.000 5.269 0.000) 5.269 4.434 ( 0.000 -0.457 0.000) 0.457 4.434 ( 0.000 0.457 0.000) 0.457 6.796 ( 0.000 -1.513 0.000) 1.513 6.796 ( 0.000 1.513 0.000) 1.513 6.842 ( 0.000 -3.424 0.000) 3.424 6.842 ( 0.000 3.424 0.000) 3.424 7.043 ( 0.000 -0.986 0.000) 0.986 7.043 ( 0.000 0.986 0.000) 0.986 7.755 ( 0.000 -0.774 0.000) 0.774 7.755 ( 0.000 0.774 0.000) 0.774 8.893 ( 0.000 -2.427 0.000) 2.427 8.893 ( 0.000 2.427 0.000) 2.427 9.008 ( 0.000 -10.819 0.000) 10.819 9.008 ( 0.000 10.819 0.000) 10.819 9.506 ( 0.000 -1.381 0.000) 1.381 9.506 ( 0.000 1.381 0.000) 1.381 14.590 ( 0.000 -0.864 0.000) 0.864 14.590 ( 0.000 0.864 0.000) 0.864 ======================= Grid point 79 (44/256) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 19.507 -1.175 0.639) 19.553 2.219 ( 19.507 1.175 0.639) 19.553 2.637 ( 7.472 -5.708 -0.389) 9.411 2.637 ( 7.472 5.708 -0.389) 9.411 2.962 ( 6.855 -5.207 0.097) 8.609 2.962 ( 6.855 5.207 0.097) 8.609 4.447 ( 1.329 -0.555 -0.098) 1.444 4.447 ( 1.329 0.555 -0.098) 1.444 6.801 ( -1.093 -2.770 -0.106) 2.979 6.801 ( -1.093 2.770 -0.106) 2.979 6.861 ( 3.513 -1.737 0.306) 3.931 6.861 ( 3.513 1.737 0.306) 3.931 7.109 ( 6.174 -0.459 -0.342) 6.200 7.109 ( 6.174 0.459 -0.342) 6.200 7.751 ( -0.352 -0.726 0.071) 0.810 7.751 ( -0.352 0.726 0.071) 0.810 8.655 ( -14.043 -5.374 0.029) 15.036 8.655 ( -14.043 5.374 0.029) 15.036 9.219 ( 10.885 -5.636 -0.017) 12.257 9.219 ( 10.885 5.636 -0.017) 12.257 9.506 ( 0.471 -2.590 0.087) 2.634 9.506 ( 0.471 2.590 0.087) 2.634 14.693 ( 10.001 -0.856 -0.008) 10.038 14.693 ( 10.001 0.856 -0.008) 10.038 ======================= Grid point 81 (45/256) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 7.623 -4.206 0.608) 8.728 2.507 ( 7.623 4.206 0.608) 8.728 2.992 ( 26.841 -2.244 -0.230) 26.936 2.992 ( 26.841 2.244 -0.230) 26.936 3.147 ( 11.579 -5.546 0.109) 12.839 3.147 ( 11.579 5.546 0.109) 12.839 4.488 ( 2.754 -0.778 -0.143) 2.865 4.488 ( 2.754 0.778 -0.143) 2.865 6.764 ( -2.156 -2.801 -0.015) 3.535 6.764 ( -2.156 2.801 -0.015) 3.535 6.962 ( 5.650 -1.970 0.203) 5.987 6.962 ( 5.650 1.970 0.203) 5.987 7.265 ( 9.165 -0.134 -0.451) 9.177 7.265 ( 9.165 0.134 -0.451) 9.177 7.744 ( -0.304 -0.645 0.116) 0.723 7.744 ( -0.304 0.645 0.116) 0.723 8.397 ( -11.506 -4.347 0.096) 12.300 8.397 ( -11.506 4.347 0.096) 12.300 9.338 ( 0.504 -0.788 -0.010) 0.936 9.338 ( 0.504 0.788 -0.010) 0.936 9.574 ( 6.886 -5.862 0.093) 9.044 9.574 ( 6.886 5.862 0.093) 9.044 14.959 ( 15.893 -0.821 -0.012) 15.914 14.959 ( 15.893 0.821 -0.012) 15.914 ======================= Grid point 83 (46/256) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 4.052 -3.516 0.308) 5.373 2.614 ( 4.052 3.516 0.308) 5.373 3.349 ( 10.803 -2.349 0.135) 11.057 3.349 ( 10.803 2.349 0.135) 11.057 3.564 ( 25.377 -1.014 0.009) 25.398 3.564 ( 25.377 1.014 0.009) 25.398 4.550 ( 3.369 -0.815 -0.127) 3.469 4.550 ( 3.369 0.815 -0.127) 3.469 6.721 ( -2.075 -2.138 -0.005) 2.980 6.721 ( -2.075 2.138 -0.005) 2.980 7.061 ( 3.880 -1.594 0.097) 4.196 7.061 ( 3.880 1.594 0.097) 4.196 7.450 ( 9.131 -0.520 -0.419) 9.155 7.450 ( 9.131 0.520 -0.419) 9.155 7.744 ( 0.370 -0.629 0.114) 0.739 7.744 ( 0.370 0.629 0.114) 0.739 8.210 ( -7.260 -2.968 0.170) 7.845 8.210 ( -7.260 2.968 0.170) 7.845 9.297 ( -3.413 -0.486 0.023) 3.448 9.297 ( -3.413 0.486 0.023) 3.448 9.721 ( 6.798 -4.389 0.034) 8.092 9.721 ( 6.798 4.389 0.034) 8.092 15.281 ( 15.555 -0.739 -0.011) 15.572 15.281 ( 15.555 0.739 -0.011) 15.572 ======================= Grid point 85 (47/256) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 2.298 -1.868 0.155) 2.965 2.678 ( 2.298 1.868 0.155) 2.965 3.524 ( 6.395 -1.665 0.071) 6.609 3.524 ( 6.395 1.665 0.071) 6.609 3.967 ( 14.311 -0.349 0.049) 14.315 3.967 ( 14.311 0.349 0.049) 14.315 4.609 ( 2.324 -0.523 -0.072) 2.384 4.609 ( 2.324 0.523 -0.072) 2.384 6.686 ( -1.336 -1.228 -0.002) 1.815 6.686 ( -1.336 1.228 -0.002) 1.815 7.112 ( 1.393 -0.838 0.022) 1.626 7.112 ( 1.393 0.838 0.022) 1.626 7.605 ( 6.065 -0.651 -0.259) 6.105 7.605 ( 6.065 0.651 -0.259) 6.105 7.756 ( 0.587 -0.490 0.042) 0.766 7.756 ( 0.587 0.490 0.042) 0.766 8.107 ( -3.310 -1.736 0.174) 3.741 8.107 ( -3.310 1.736 0.174) 3.741 9.231 ( -2.790 -0.516 0.014) 2.837 9.231 ( -2.790 0.516 0.014) 2.837 9.826 ( 3.640 -2.124 0.009) 4.214 9.826 ( 3.640 2.124 0.009) 4.214 15.537 ( 9.454 -0.629 -0.007) 9.475 15.537 ( 9.454 0.629 -0.007) 9.475 ======================= Grid point 87 (48/256) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 0.000 -0.222 0.000) 0.222 2.702 ( 0.000 0.222 0.000) 0.222 3.589 ( 0.000 -0.373 0.000) 0.373 3.589 ( 0.000 0.373 0.000) 0.373 4.111 ( 0.000 -0.109 0.000) 0.109 4.111 ( 0.000 0.109 -0.000) 0.109 4.633 ( 0.000 -0.197 0.000) 0.197 4.633 ( 0.000 0.197 0.000) 0.197 6.672 ( 0.000 -0.399 0.000) 0.399 6.672 ( 0.000 0.399 -0.000) 0.399 7.124 ( 0.000 -0.018 0.000) 0.018 7.124 ( 0.000 0.018 0.000) 0.018 7.669 ( 0.000 -0.018 0.000) 0.018 7.669 ( 0.000 0.018 0.000) 0.018 7.762 ( 0.000 -0.201 0.000) 0.201 7.762 ( 0.000 0.201 0.000) 0.201 8.075 ( 0.000 -0.289 0.000) 0.289 8.075 ( 0.000 0.289 0.000) 0.289 9.201 ( 0.000 -0.375 0.000) 0.375 9.201 ( 0.000 0.375 0.000) 0.375 9.862 ( 0.000 -0.158 -0.000) 0.158 9.862 ( 0.000 0.158 0.000) 0.158 15.633 ( 0.000 -0.571 0.000) 0.571 15.633 ( 0.000 0.571 0.000) 0.571 ======================= Grid point 165 (49/256) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.187 ( 7.479 0.000 9.216) 11.868 0.238 ( 1.577 0.000 11.719) 11.825 0.410 ( -3.018 0.000 20.287) 20.510 2.035 ( -1.093 0.000 -4.441) 4.574 2.322 ( -0.163 0.000 -1.205) 1.216 2.379 ( -0.102 0.000 5.621) 5.622 2.727 ( -0.023 0.000 -1.727) 1.728 3.379 ( 0.013 0.000 0.827) 0.827 3.558 ( 0.003 0.000 -2.607) 2.607 3.577 ( 0.005 0.000 -0.476) 0.476 6.330 ( 0.066 0.000 -0.180) 0.191 6.418 ( -0.028 0.000 0.319) 0.320 6.751 ( -0.048 0.000 0.318) 0.321 6.813 ( -0.026 0.000 -0.499) 0.500 7.192 ( -0.589 0.000 0.910) 1.084 7.621 ( -1.082 0.000 -1.560) 1.898 7.665 ( 1.281 0.000 -2.087) 2.449 7.853 ( -1.633 0.000 2.461) 2.953 8.147 ( 2.643 0.000 0.446) 2.680 9.573 ( 0.416 0.000 -0.125) 0.435 9.804 ( 0.539 0.000 -0.001) 0.539 10.280 ( -0.896 0.000 0.042) 0.897 14.914 ( -0.373 0.000 -0.325) 0.494 14.940 ( 1.183 0.000 -0.142) 1.191 ======================= Grid point 166 (50/256) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 7.167 0.000 16.365) 17.866 0.568 ( 21.064 0.000 5.467) 21.762 0.921 ( 39.529 0.000 2.909) 39.635 2.246 ( 19.855 0.000 -3.109) 20.096 2.284 ( -3.040 0.000 -1.271) 3.295 2.612 ( 18.919 0.000 3.553) 19.250 2.884 ( 15.626 0.000 -1.853) 15.735 3.484 ( 9.831 0.000 0.822) 9.865 3.541 ( -0.639 0.000 -2.614) 2.691 3.666 ( 8.713 0.000 -0.510) 8.728 6.329 ( -0.087 0.000 -0.134) 0.160 6.412 ( -0.607 0.000 0.294) 0.674 6.749 ( -0.136 0.000 0.296) 0.326 6.807 ( -0.418 0.000 -0.518) 0.666 7.271 ( 5.815 0.000 -0.484) 5.835 7.585 ( -1.416 0.000 -1.893) 2.364 7.682 ( 1.784 0.000 -1.069) 2.080 7.816 ( 0.819 0.000 4.768) 4.838 8.557 ( 18.406 0.000 -12.193) 22.078 9.584 ( 0.757 0.000 -0.055) 0.759 9.636 ( -14.716 0.000 0.333) 14.720 10.266 ( 1.855 0.000 3.296) 3.782 14.977 ( 7.462 0.000 0.971) 7.525 15.030 ( 10.089 0.000 0.634) 10.109 ======================= Grid point 167 (51/256) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 22.773 0.000 7.868) 24.094 0.995 ( 20.179 0.000 3.041) 20.407 1.642 ( 31.416 0.000 0.840) 31.427 2.207 ( -4.243 0.000 -1.117) 4.387 2.662 ( 20.177 0.000 -0.666) 20.188 3.030 ( 18.384 0.000 2.183) 18.513 3.281 ( 22.841 0.000 -2.530) 22.980 3.573 ( 7.454 0.000 -1.358) 7.576 3.739 ( 14.716 0.000 0.700) 14.733 3.891 ( 13.146 0.000 -0.494) 13.155 6.326 ( -0.184 0.000 -0.054) 0.192 6.394 ( -1.232 0.000 0.202) 1.248 6.747 ( -0.121 0.000 0.241) 0.270 6.795 ( -0.721 0.000 -0.452) 0.851 7.390 ( 5.349 0.000 -0.775) 5.405 7.564 ( -0.050 0.000 -0.794) 0.796 7.686 ( -0.708 0.000 0.180) 0.731 7.915 ( 7.465 0.000 1.768) 7.671 8.795 ( 9.142 0.000 -4.994) 10.417 9.315 ( -16.339 0.000 0.066) 16.340 9.618 ( 2.893 0.000 -0.580) 2.951 10.311 ( 0.907 0.000 1.866) 2.074 15.209 ( 14.711 0.000 0.124) 14.712 15.307 ( 16.604 0.000 0.380) 16.609 ======================= Grid point 168 (52/256) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 25.509 0.000 4.075) 25.833 1.368 ( 16.634 0.000 1.925) 16.745 2.113 ( -4.972 0.000 -0.863) 5.046 2.126 ( 16.373 0.000 -1.007) 16.404 3.005 ( 14.269 0.000 0.515) 14.278 3.218 ( 2.893 0.000 0.398) 2.920 3.731 ( 22.120 0.000 -1.125) 22.148 3.878 ( 19.050 0.000 -0.051) 19.050 4.035 ( 14.165 0.000 0.515) 14.175 4.148 ( 12.048 0.000 -0.389) 12.054 6.323 ( -0.177 0.000 0.048) 0.184 6.366 ( -1.530 0.000 0.066) 1.532 6.746 ( -0.088 0.000 0.157) 0.180 6.778 ( -0.847 0.000 -0.321) 0.906 7.442 ( 0.508 0.000 -1.466) 1.551 7.567 ( -0.819 0.000 1.050) 1.331 7.717 ( 5.119 0.000 -0.650) 5.161 8.070 ( 6.586 0.000 0.396) 6.598 8.911 ( 3.380 0.000 -1.174) 3.578 9.024 ( -11.988 0.000 -0.093) 11.988 9.707 ( 6.337 0.000 -0.961) 6.409 10.295 ( -2.991 0.000 1.093) 3.185 15.516 ( 15.179 0.000 -0.374) 15.183 15.645 ( 16.176 0.000 0.338) 16.180 ======================= Grid point 169 (53/256) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 12.372 0.000 1.290) 12.439 1.781 ( 22.248 0.000 2.363) 22.373 2.001 ( -6.298 0.000 -0.604) 6.327 2.261 ( -1.960 0.000 -2.456) 3.143 3.224 ( 7.504 0.000 1.042) 7.576 3.266 ( 2.384 0.000 0.819) 2.521 4.090 ( 13.046 0.000 0.196) 13.047 4.193 ( 11.464 0.000 -0.294) 11.468 4.273 ( 9.156 0.000 0.282) 9.160 4.337 ( 6.500 0.000 -0.199) 6.503 6.321 ( -0.045 0.000 0.188) 0.193 6.338 ( -1.163 0.000 -0.119) 1.169 6.745 ( 0.025 0.000 0.058) 0.064 6.762 ( -0.681 0.000 -0.158) 0.699 7.436 ( -0.321 0.000 -0.640) 0.716 7.541 ( -1.428 0.000 0.035) 1.429 7.857 ( 8.246 0.000 -0.758) 8.281 8.128 ( -1.568 0.000 -0.361) 1.609 8.869 ( -2.685 0.000 0.087) 2.686 8.935 ( -1.097 0.000 0.323) 1.144 9.857 ( 8.692 0.000 -0.914) 8.740 10.201 ( -6.511 0.000 0.543) 6.533 15.769 ( 9.612 0.000 -0.390) 9.620 15.909 ( 9.581 0.000 0.163) 9.582 ======================= Grid point 170 (54/256) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -4.485 0.000 0.730) 4.544 1.888 ( 4.243 0.000 -0.214) 4.248 2.065 ( -12.618 0.000 -0.913) 12.651 2.169 ( 12.254 0.000 -0.235) 12.257 3.290 ( -0.951 0.000 0.852) 1.277 3.309 ( 0.889 0.000 1.413) 1.669 4.225 ( 0.180 0.000 0.555) 0.584 4.309 ( 0.020 0.000 -0.249) 0.250 4.375 ( 0.014 0.000 0.097) 0.098 4.395 ( -0.030 0.000 -0.030) 0.043 6.316 ( -0.464 0.000 0.070) 0.469 6.330 ( 0.394 0.000 -0.048) 0.397 6.747 ( 0.047 0.000 -0.053) 0.071 6.753 ( 0.054 0.000 0.019) 0.057 7.439 ( 0.800 0.000 0.177) 0.820 7.519 ( -0.635 0.000 -0.917) 1.115 8.018 ( 7.542 0.000 -0.817) 7.586 8.023 ( -7.638 0.000 -0.675) 7.668 8.882 ( 1.970 0.000 0.404) 2.011 8.894 ( -1.924 0.000 0.524) 1.994 10.028 ( 5.937 0.000 0.031) 5.937 10.051 ( -6.049 0.000 -0.597) 6.079 15.871 ( 0.309 0.000 -0.206) 0.372 16.003 ( -0.341 0.000 -0.098) 0.355 ======================= Grid point 171 (55/256) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -12.917 0.000 0.216) 12.919 1.695 ( -22.056 0.000 -0.722) 22.068 2.025 ( 6.290 0.000 0.232) 6.295 2.322 ( 0.192 0.000 -0.191) 0.271 3.210 ( -7.347 0.000 0.598) 7.371 3.295 ( -1.796 0.000 1.775) 2.525 4.103 ( -12.201 0.000 0.533) 12.213 4.188 ( -12.126 0.000 -0.425) 12.133 4.273 ( -9.321 0.000 0.254) 9.325 4.338 ( -6.378 0.000 -0.183) 6.380 6.312 ( 0.031 0.000 -0.123) 0.127 6.345 ( 1.070 0.000 0.114) 1.076 6.747 ( -0.008 0.000 0.072) 0.073 6.764 ( 0.829 0.000 -0.056) 0.831 7.472 ( 2.448 0.000 0.852) 2.592 7.510 ( -0.086 0.000 -1.319) 1.322 7.858 ( -8.298 0.000 -0.720) 8.329 8.113 ( 1.063 0.000 -0.805) 1.333 8.881 ( 2.820 0.000 0.486) 2.861 8.931 ( 1.351 0.000 0.170) 1.362 9.865 ( -9.082 0.000 -0.699) 9.108 10.187 ( 6.666 0.000 0.093) 6.667 15.779 ( -9.244 0.000 -0.100) 9.245 15.897 ( -10.021 0.000 -0.217) 10.023 ======================= Grid point 172 (56/256) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -25.108 0.000 1.538) 25.155 1.329 ( -17.384 0.000 0.617) 17.395 2.135 ( -18.863 0.000 -0.418) 18.868 2.136 ( 4.985 0.000 -0.084) 4.986 3.005 ( -13.375 0.000 0.434) 13.382 3.262 ( -3.202 0.000 1.972) 3.760 3.781 ( -18.416 0.000 0.483) 18.422 3.837 ( -22.233 0.000 -1.481) 22.282 4.032 ( -14.394 0.000 0.401) 14.399 4.150 ( -11.888 0.000 -0.308) 11.892 6.315 ( 0.328 0.000 -0.175) 0.372 6.370 ( 1.340 0.000 0.170) 1.351 6.747 ( 0.030 0.000 0.182) 0.185 6.782 ( 0.982 0.000 -0.159) 0.994 7.499 ( -1.305 0.000 -1.109) 1.713 7.534 ( 3.197 0.000 1.362) 3.475 7.706 ( -6.190 0.000 -0.978) 6.267 8.045 ( -6.851 0.000 -0.321) 6.859 8.922 ( -2.280 0.000 -1.015) 2.495 9.032 ( 11.704 0.000 0.256) 11.707 9.701 ( -6.743 0.000 -1.211) 6.851 10.287 ( 3.135 0.000 0.915) 3.266 15.526 ( -15.391 0.000 -0.055) 15.391 15.628 ( -16.146 0.000 -0.164) 16.147 ======================= Grid point 173 (57/256) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -22.619 0.000 6.386) 23.504 0.948 ( -21.108 0.000 1.532) 21.163 1.606 ( -33.352 0.000 -0.062) 33.352 2.226 ( 4.181 0.000 -0.462) 4.206 2.688 ( -18.558 0.000 0.025) 18.558 3.038 ( -21.197 0.000 2.257) 21.317 3.333 ( -25.690 0.000 -0.322) 25.692 3.553 ( -3.086 0.000 -2.268) 3.830 3.734 ( -14.904 0.000 0.528) 14.914 3.894 ( -13.035 0.000 -0.380) 13.041 6.322 ( 0.357 0.000 -0.188) 0.404 6.395 ( 1.080 0.000 0.221) 1.102 6.748 ( 0.029 0.000 0.261) 0.262 6.800 ( 0.785 0.000 -0.281) 0.834 7.420 ( -6.406 0.000 0.344) 6.415 7.585 ( 1.578 0.000 -1.396) 2.107 7.650 ( 0.585 0.000 0.069) 0.589 7.891 ( -7.518 0.000 1.168) 7.608 8.829 ( -6.567 0.000 -4.734) 8.095 9.312 ( 15.611 0.000 0.107) 15.612 9.602 ( -2.906 0.000 -1.158) 3.129 10.310 ( -1.175 0.000 2.147) 2.448 15.209 ( -15.507 0.000 0.324) 15.510 15.295 ( -16.328 0.000 -0.091) 16.328 ======================= Grid point 174 (58/256) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -9.731 0.000 15.609) 18.394 0.518 ( -22.049 0.000 4.192) 22.444 0.859 ( -40.730 0.000 1.372) 40.753 2.289 ( -19.664 0.000 -2.193) 19.786 2.295 ( 2.824 0.000 -0.874) 2.956 2.600 ( -19.724 0.000 2.992) 19.949 2.896 ( -16.219 0.000 -1.228) 16.266 3.480 ( -9.900 0.000 0.683) 9.924 3.550 ( 1.242 0.000 -2.307) 2.620 3.668 ( -8.672 0.000 -0.430) 8.683 6.328 ( 0.237 0.000 -0.192) 0.305 6.412 ( 0.519 0.000 0.281) 0.590 6.750 ( 0.038 0.000 0.306) 0.308 6.811 ( 0.401 0.000 -0.408) 0.572 7.289 ( -6.220 0.000 -0.036) 6.220 7.611 ( 2.100 0.000 -2.670) 3.397 7.652 ( -1.426 0.000 -0.527) 1.520 7.805 ( -1.073 0.000 4.723) 4.843 8.603 ( -16.516 0.000 -14.804) 22.180 9.570 ( -0.084 0.000 -0.548) 0.554 9.623 ( 14.463 0.000 0.269) 14.465 10.269 ( -2.560 0.000 4.680) 5.334 14.964 ( -7.899 0.000 1.887) 8.121 15.023 ( -10.209 0.000 0.012) 10.209 ======================= Grid point 175 (59/256) ======================= q-point: ( 0.00 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 2.499 18.096 3.798) 18.658 0.546 ( -1.896 14.737 12.716) 19.557 1.039 ( 0.442 47.321 2.412) 47.384 1.996 ( -0.868 -2.978 -3.614) 4.762 2.314 ( 0.154 -5.080 3.977) 6.453 2.540 ( -0.947 7.674 -1.157) 7.819 2.558 ( 0.715 3.199 -0.176) 3.282 3.521 ( 0.127 -3.281 -2.341) 4.033 3.819 ( 0.094 30.408 -0.110) 30.409 3.829 ( -0.211 27.073 0.118) 27.074 6.523 ( 0.082 18.050 0.445) 18.056 6.814 ( -0.047 8.569 -1.075) 8.637 6.903 ( -0.024 8.991 0.661) 9.015 7.223 ( -0.309 2.922 0.923) 3.080 7.506 ( 0.422 5.811 -11.938) 13.284 7.597 ( 0.214 -2.759 -1.522) 3.158 7.710 ( 0.117 0.392 0.617) 0.740 8.085 ( -12.268 29.927 -31.152) 44.906 8.136 ( 11.977 -0.195 -0.597) 11.993 9.559 ( 0.375 -1.309 -0.195) 1.376 9.787 ( 0.635 -1.675 -0.011) 1.791 10.143 ( -0.889 -8.535 4.178) 9.544 14.855 ( 0.124 -3.766 1.645) 4.112 14.901 ( 0.156 -1.830 0.204) 1.848 ======================= Grid point 176 (60/256) ======================= q-point: ( 0.10 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 4.849 13.553 10.671) 17.919 0.864 ( 26.112 11.935 2.868) 28.853 1.239 ( 19.768 35.973 1.852) 41.089 2.195 ( 18.246 -3.643 -2.113) 18.725 2.514 ( -0.039 18.156 -0.394) 18.161 2.540 ( 17.208 -2.762 2.168) 17.563 2.736 ( 17.628 -7.766 -0.710) 19.276 3.500 ( -1.013 -3.564 -2.257) 4.338 3.910 ( 8.574 33.157 0.161) 34.248 3.922 ( 9.046 23.558 -0.285) 25.237 6.519 ( -0.633 17.617 0.489) 17.635 6.804 ( -0.732 9.570 -1.536) 9.720 6.891 ( -1.401 9.320 0.264) 9.428 7.103 ( -17.574 25.811 -5.288) 31.670 7.374 ( -1.710 13.167 -5.636) 14.425 7.560 ( -2.630 -1.234 -1.210) 3.147 7.651 ( 1.052 -2.715 -0.559) 2.965 7.773 ( 0.403 -3.904 4.231) 5.772 8.579 ( 16.522 2.404 -11.646) 20.357 9.566 ( 0.577 -1.706 -0.039) 1.801 9.614 ( -14.580 -2.055 0.362) 14.728 10.207 ( 4.325 -5.085 2.641) 7.179 14.945 ( 8.778 -2.555 0.863) 9.183 15.010 ( 10.405 -1.843 0.302) 10.571 ======================= Grid point 177 (61/256) ======================= q-point: ( 0.20 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 20.323 7.850 5.931) 22.580 1.286 ( 17.510 20.713 2.114) 27.205 1.755 ( 27.199 14.349 0.328) 30.753 2.429 ( -2.277 17.519 -0.076) 17.667 2.606 ( 17.581 -1.182 -0.660) 17.633 2.973 ( 19.220 -3.813 1.877) 19.684 3.173 ( 24.564 -5.799 -2.314) 25.345 3.527 ( 7.148 -4.121 -0.979) 8.308 4.133 ( 13.100 31.357 0.186) 33.984 4.152 ( 13.319 23.528 -0.308) 27.038 6.502 ( -1.077 16.425 0.400) 16.465 6.719 ( -8.451 23.697 -3.003) 25.338 6.831 ( -2.149 8.642 0.232) 8.908 6.886 ( -2.501 9.101 0.705) 9.465 7.419 ( 2.424 1.507 -1.857) 3.406 7.545 ( 0.926 -1.117 0.101) 1.454 7.655 ( 0.049 -2.703 0.488) 2.747 7.876 ( 7.862 -3.844 1.377) 8.859 8.799 ( 8.665 0.761 -4.647) 9.862 9.302 ( -15.823 -1.201 0.006) 15.868 9.594 ( 2.705 -2.243 -0.461) 3.544 10.274 ( 1.430 -3.540 1.537) 4.115 15.191 ( 15.038 -1.711 0.051) 15.135 15.289 ( 16.618 -1.786 0.282) 16.716 ======================= Grid point 178 (62/256) ======================= q-point: ( 0.30 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 23.854 3.876 3.138) 24.369 1.606 ( 14.336 19.834 1.522) 24.519 2.193 ( 15.246 8.105 -1.275) 17.314 2.356 ( -3.946 20.712 -0.041) 21.085 2.934 ( 14.290 -4.315 0.321) 14.931 3.161 ( 2.688 -3.775 0.333) 4.646 3.658 ( 23.376 -4.034 -1.492) 23.768 3.823 ( 18.618 -3.861 0.619) 19.024 4.397 ( 12.627 28.804 0.073) 31.450 4.415 ( 12.467 23.849 -0.105) 26.911 6.481 ( -1.029 14.946 0.294) 14.984 6.575 ( -5.221 18.382 -0.841) 19.127 6.814 ( -0.402 6.480 0.092) 6.493 6.852 ( -1.452 6.973 0.276) 7.127 7.422 ( -0.771 -2.512 -1.719) 3.139 7.542 ( -1.818 -2.673 0.963) 3.373 7.726 ( 6.768 1.241 -0.243) 6.885 8.038 ( 7.089 -3.176 0.253) 7.772 8.908 ( 3.057 0.004 -1.105) 3.251 9.020 ( -11.652 -0.199 -0.141) 11.655 9.682 ( 6.308 -2.446 -0.870) 6.822 10.264 ( -2.776 -3.013 0.964) 4.209 15.502 ( 15.284 -1.390 -0.348) 15.351 15.626 ( 16.161 -1.833 0.277) 16.267 ======================= Grid point 179 (63/256) ======================= q-point: ( 0.40 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 19.063 1.885 1.645) 19.227 1.854 ( 10.021 16.656 1.021) 19.465 2.265 ( -3.263 19.864 0.125) 20.131 2.338 ( -1.240 9.045 -2.248) 9.403 3.157 ( 7.818 -4.261 0.679) 8.930 3.207 ( 2.457 -3.779 0.666) 4.557 4.031 ( 13.472 -3.195 -0.191) 13.847 4.134 ( 11.136 -3.393 0.220) 11.644 4.604 ( 7.648 26.460 -0.040) 27.543 4.619 ( 7.478 24.403 0.168) 25.524 6.467 ( -0.420 13.772 0.251) 13.780 6.498 ( -2.620 14.622 -0.321) 14.859 6.809 ( -0.150 6.069 0.013) 6.071 6.829 ( -0.946 6.342 0.119) 6.413 7.403 ( -0.595 -3.356 -0.707) 3.481 7.505 ( -1.646 -3.565 -0.091) 3.927 7.877 ( 7.994 1.745 -0.545) 8.201 8.112 ( -0.429 -1.727 -0.336) 1.811 8.867 ( -2.991 0.101 0.022) 2.993 8.926 ( -1.204 -0.603 0.293) 1.378 9.832 ( 8.693 -2.431 -0.850) 9.066 10.173 ( -6.392 -2.731 0.498) 6.969 15.756 ( 9.620 -1.294 -0.357) 9.714 15.890 ( 9.596 -1.851 0.132) 9.774 ======================= Grid point 180 (64/256) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -2.273 9.020 0.344) 9.308 1.977 ( -1.194 7.738 0.069) 7.830 2.228 ( -2.521 16.086 -0.540) 16.291 2.294 ( 5.554 13.145 -0.223) 14.272 3.232 ( -1.032 -3.632 0.646) 3.830 3.245 ( 1.058 -4.114 0.998) 4.364 4.173 ( 0.617 -2.988 0.510) 3.094 4.240 ( -0.613 -3.155 -0.278) 3.226 4.684 ( 0.167 25.192 -0.048) 25.193 4.695 ( -0.062 24.916 0.335) 24.918 6.461 ( -0.718 13.545 -0.000) 13.564 6.473 ( 0.696 13.359 -0.002) 13.377 6.809 ( 0.222 5.866 0.037) 5.870 6.817 ( -0.212 6.122 0.045) 6.126 7.402 ( 0.765 -3.541 0.101) 3.624 7.482 ( -0.581 -3.722 -0.963) 3.888 8.025 ( 6.421 0.432 -0.664) 6.470 8.030 ( -6.573 0.436 -0.634) 6.617 8.873 ( 1.592 -0.600 0.362) 1.740 8.886 ( -1.493 -0.392 0.468) 1.613 10.003 ( 6.116 -2.423 0.002) 6.578 10.024 ( -6.210 -2.596 -0.526) 6.751 15.857 ( 0.272 -1.327 -0.196) 1.369 15.985 ( -0.296 -1.793 -0.095) 1.820 ======================= Grid point 181 (65/256) ======================= q-point: (-0.40 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -19.738 3.066 -0.358) 19.978 1.834 ( -10.664 17.654 0.313) 20.628 2.269 ( 4.491 20.289 0.037) 20.780 2.388 ( -0.430 7.155 -0.243) 7.172 3.149 ( -7.682 -3.808 0.430) 8.585 3.231 ( -1.754 -4.336 1.418) 4.887 4.059 ( -11.882 -3.160 0.740) 12.317 4.106 ( -12.714 -3.375 -0.694) 13.172 4.611 ( -7.394 25.717 0.087) 26.759 4.617 ( -7.651 24.996 0.178) 26.141 6.458 ( 0.377 13.744 -0.097) 13.749 6.507 ( 2.752 14.800 0.025) 15.054 6.813 ( 0.130 6.392 0.163) 6.396 6.825 ( 0.922 5.743 -0.019) 5.817 7.436 ( 2.503 -3.498 0.656) 4.351 7.477 ( 0.319 -3.441 -1.320) 3.699 7.877 ( -8.102 1.665 -0.534) 8.289 8.097 ( 0.007 -1.653 -0.767) 1.822 8.879 ( 3.087 0.098 0.425) 3.118 8.922 ( 1.517 -0.519 0.171) 1.613 9.839 ( -9.060 -2.441 -0.636) 9.404 10.159 ( 6.562 -2.634 0.077) 7.071 15.764 ( -9.290 -1.411 -0.102) 9.397 15.879 ( -9.978 -1.697 -0.201) 10.123 ======================= Grid point 182 (66/256) ======================= q-point: (-0.30 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -23.523 5.229 1.300) 24.132 1.580 ( -14.857 20.828 0.625) 25.592 2.204 ( -17.641 8.142 -0.755) 19.444 2.361 ( 4.313 19.639 0.201) 20.108 2.935 ( -13.688 -4.150 0.310) 14.306 3.201 ( -2.851 -4.175 1.743) 5.348 3.738 ( -20.730 -3.736 2.346) 21.194 3.747 ( -20.641 -4.136 -3.202) 21.293 4.402 ( -12.927 28.797 0.241) 31.566 4.416 ( -12.207 23.810 -0.118) 26.757 6.472 ( 1.028 14.840 -0.056) 14.875 6.589 ( 5.861 19.043 -0.347) 19.927 6.817 ( 0.252 6.714 0.185) 6.721 6.848 ( 1.355 6.157 0.162) 6.307 7.479 ( 0.615 -2.713 -2.312) 3.617 7.503 ( 3.184 -2.878 2.066) 4.764 7.716 ( -7.594 1.360 -0.508) 7.732 8.016 ( -7.261 -2.935 -0.401) 7.842 8.919 ( -1.935 0.062 -0.885) 2.129 9.029 ( 11.329 -0.186 0.198) 11.333 9.676 ( -6.711 -2.382 -1.089) 7.204 10.257 ( 2.967 -2.909 0.805) 4.232 15.511 ( -15.433 -1.494 -0.062) 15.505 15.612 ( -16.134 -1.633 -0.163) 16.217 ======================= Grid point 183 (67/256) ======================= q-point: (-0.20 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -19.998 8.950 4.907) 22.453 1.255 ( -18.176 21.517 1.090) 28.188 1.726 ( -28.489 15.245 -0.362) 32.313 2.435 ( 2.103 16.404 0.083) 16.538 2.626 ( -16.218 -1.423 -0.091) 16.281 2.980 ( -21.540 -3.898 1.937) 21.976 3.225 ( -27.298 -5.551 -0.161) 27.857 3.502 ( -3.190 -4.289 -1.919) 5.679 4.134 ( -13.314 30.813 0.139) 33.567 4.156 ( -13.116 24.135 -0.135) 27.469 6.494 ( 1.115 16.278 0.069) 16.316 6.750 ( 9.959 24.825 -2.307) 26.848 6.831 ( 2.310 8.798 0.178) 9.098 6.881 ( 2.295 8.354 0.900) 8.711 7.453 ( -3.531 2.051 -0.879) 4.177 7.558 ( 1.084 -2.006 -0.218) 2.290 7.617 ( -0.630 -2.846 0.072) 2.916 7.854 ( -7.838 -3.560 0.850) 8.650 8.833 ( -6.295 0.734 -4.175) 7.589 9.299 ( 15.141 -1.157 0.034) 15.185 9.580 ( -2.726 -2.118 -0.979) 3.589 10.275 ( -1.541 -3.383 1.767) 4.116 15.192 ( -15.607 -1.602 0.209) 15.691 15.278 ( -16.358 -1.638 -0.105) 16.440 ======================= Grid point 184 (68/256) ======================= q-point: (-0.10 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -6.532 13.841 10.419) 18.515 0.820 ( -27.529 11.991 1.520) 30.065 1.210 ( -18.855 37.992 1.111) 42.428 2.226 ( -17.634 -4.358 -1.405) 18.219 2.521 ( -11.352 5.734 0.736) 12.739 2.531 ( -7.057 9.750 1.097) 12.086 2.746 ( -18.672 -8.014 -0.265) 20.321 3.504 ( 1.674 -3.634 -2.073) 4.506 3.908 ( -8.620 31.795 0.011) 32.943 3.928 ( -9.079 24.906 -0.057) 26.509 6.514 ( 0.748 17.523 0.266) 17.541 6.813 ( 0.449 9.061 -0.958) 9.123 6.891 ( 1.166 8.418 0.077) 8.499 7.134 ( 17.425 24.044 -3.966) 29.958 7.406 ( 5.330 14.800 -5.888) 16.796 7.585 ( 4.074 -0.995 -1.741) 4.541 7.619 ( -1.232 -3.185 -0.236) 3.424 7.764 ( -0.292 -3.508 4.331) 5.581 8.626 ( -14.143 2.457 -12.868) 19.278 9.552 ( 0.386 -1.632 -0.404) 1.725 9.603 ( 13.923 -1.902 0.144) 14.053 10.211 ( -4.979 -4.848 3.430) 7.750 14.938 ( -9.153 -2.156 1.098) 9.468 15.005 ( -10.232 -1.696 -0.018) 10.372 ======================= Grid point 185 (69/256) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.925 24.260 1.479) 24.323 0.940 ( -0.876 22.863 5.298) 23.485 1.945 ( -0.085 38.971 -0.225) 38.971 1.970 ( -0.292 3.872 -2.837) 4.809 2.230 ( 0.250 -2.568 2.564) 3.637 2.417 ( -0.243 -4.180 0.132) 4.189 3.044 ( 0.012 26.839 0.078) 26.839 3.445 ( 0.030 -3.370 -1.465) 3.675 4.405 ( 0.076 33.158 -0.050) 33.158 4.593 ( -0.132 40.333 0.061) 40.334 6.974 ( 0.077 23.315 0.676) 23.325 7.028 ( -0.038 12.246 -1.072) 12.293 7.104 ( -0.050 9.325 3.049) 9.811 7.290 ( -0.275 2.993 0.917) 3.143 7.457 ( 0.171 -4.948 -3.783) 6.231 7.506 ( 0.387 -6.015 -1.317) 6.170 7.643 ( -0.108 -2.497 3.497) 4.298 8.120 ( -0.034 0.230 0.214) 0.316 8.485 ( 0.094 10.843 -16.444) 19.697 9.527 ( 0.258 -1.650 -0.399) 1.717 9.738 ( 0.708 -3.287 -0.038) 3.362 9.983 ( -0.881 -7.727 1.971) 8.023 14.788 ( 0.028 -3.216 0.577) 3.267 14.853 ( 0.059 -2.867 -0.099) 2.869 ======================= Grid point 186 (70/256) ======================= q-point: ( 0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.887 23.162 4.294) 23.733 1.137 ( 22.895 17.013 1.591) 28.569 2.036 ( 8.685 38.551 -0.312) 39.518 2.161 ( 17.187 1.528 -1.403) 17.312 2.455 ( 20.166 -2.403 1.431) 20.359 2.621 ( 19.414 -3.988 -0.007) 19.820 3.023 ( -1.936 27.312 0.106) 27.381 3.420 ( -1.616 -3.411 -1.405) 4.027 4.501 ( 9.096 32.959 -0.101) 34.191 4.663 ( 6.926 39.599 0.036) 40.200 6.960 ( -1.683 23.273 0.754) 23.346 7.017 ( -0.722 11.202 -0.909) 11.262 7.091 ( -1.821 9.254 2.778) 9.832 7.317 ( 1.385 4.067 0.367) 4.312 7.443 ( -0.714 -3.369 -4.231) 5.455 7.559 ( 3.927 -3.679 -1.139) 5.500 7.635 ( -0.824 -3.528 2.806) 4.582 7.804 ( -18.931 9.589 -2.114) 21.326 8.658 ( 12.300 5.167 -8.732) 15.945 9.523 ( -0.264 -2.293 -0.162) 2.314 9.559 ( -13.830 -3.326 0.238) 14.226 10.087 ( 6.410 -6.512 1.224) 9.219 14.888 ( 9.604 -3.040 0.365) 10.080 14.961 ( 10.451 -2.954 -0.031) 10.860 ======================= Grid point 187 (71/256) ======================= q-point: ( 0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 14.645 19.400 2.891) 24.479 1.607 ( 22.057 13.510 1.132) 25.891 2.262 ( 13.314 30.969 -0.938) 33.723 2.516 ( 16.792 1.015 0.441) 16.828 2.924 ( 20.810 0.347 1.049) 20.839 2.975 ( -0.466 23.936 0.583) 23.948 3.093 ( 24.766 -0.403 -2.136) 24.861 3.431 ( 6.187 -4.442 -0.362) 7.625 4.732 ( 13.349 32.646 -0.166) 35.270 4.847 ( 10.951 37.991 0.099) 39.538 6.915 ( -2.818 21.954 0.542) 22.140 7.000 ( -0.757 10.164 -0.372) 10.199 7.052 ( -2.589 9.638 1.808) 10.143 7.224 ( -11.535 17.227 -1.542) 20.789 7.387 ( -2.565 -3.169 -3.938) 5.668 7.537 ( -3.578 0.017 1.078) 3.737 7.626 ( 3.858 0.534 1.129) 4.055 7.768 ( 8.617 -6.603 0.492) 10.867 8.844 ( 7.664 4.123 -3.679) 9.448 9.273 ( -14.110 -1.447 -0.098) 14.184 9.535 ( 1.967 -3.475 -0.276) 4.003 10.179 ( 2.290 -5.671 0.895) 6.181 15.146 ( 15.508 -2.623 -0.013) 15.728 15.239 ( 16.564 -3.074 0.060) 16.847 ======================= Grid point 188 (72/256) ======================= q-point: ( 0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 19.983 13.916 1.812) 24.418 1.980 ( 14.984 15.395 0.860) 21.501 2.499 ( 9.094 20.839 -1.764) 22.805 2.748 ( 3.873 10.248 1.348) 11.038 2.996 ( 6.316 17.225 -0.643) 18.357 3.135 ( 3.201 2.640 0.407) 4.169 3.594 ( 24.105 -2.265 -1.320) 24.247 3.737 ( 19.690 -4.323 0.748) 20.173 4.996 ( 12.569 32.575 -0.108) 34.916 5.069 ( 10.580 36.209 0.179) 37.724 6.858 ( -2.830 20.078 0.310) 20.279 6.970 ( -7.114 15.811 -0.377) 17.342 6.984 ( -0.894 9.853 0.047) 9.894 7.039 ( -4.009 13.478 0.497) 14.070 7.339 ( -1.708 -5.186 -2.250) 5.906 7.467 ( -3.640 -3.704 0.928) 5.275 7.757 ( 7.686 0.756 0.316) 7.730 7.946 ( 8.096 -5.820 -0.095) 9.971 8.935 ( 2.075 3.331 -0.947) 4.037 9.026 ( -10.128 1.058 -0.205) 10.185 9.615 ( 6.224 -4.028 -0.660) 7.443 10.181 ( -2.273 -5.068 0.661) 5.593 15.463 ( 15.475 -2.329 -0.241) 15.651 15.574 ( 16.099 -3.217 0.111) 16.418 ======================= Grid point 189 (73/256) ======================= q-point: ( 0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 18.063 10.218 1.167) 20.785 2.190 ( 5.041 14.593 0.371) 15.443 2.585 ( 1.278 16.696 -1.543) 16.816 2.729 ( -3.494 20.242 0.890) 20.561 3.154 ( 6.983 6.746 -0.266) 9.713 3.199 ( 3.422 5.087 0.300) 6.138 3.976 ( 13.699 -2.169 -0.141) 13.870 4.064 ( 11.762 -3.351 0.187) 12.232 5.204 ( 7.868 32.856 0.029) 33.785 5.240 ( 6.106 34.688 0.224) 35.222 6.812 ( -1.669 18.319 0.180) 18.395 6.846 ( -4.371 17.675 -0.282) 18.210 6.970 ( -0.578 9.317 0.261) 9.338 6.996 ( -1.333 10.437 0.283) 10.526 7.309 ( -0.759 -5.349 -1.040) 5.501 7.407 ( -2.305 -5.498 -0.028) 5.961 7.905 ( 6.923 0.243 -0.217) 6.931 8.051 ( 1.991 -4.377 -0.308) 4.819 8.890 ( -3.173 2.615 -0.089) 4.113 8.936 ( -1.547 2.334 0.171) 2.806 9.766 ( 8.710 -3.931 -0.686) 9.581 10.098 ( -6.046 -4.579 0.376) 7.594 15.720 ( 9.615 -2.243 -0.257) 9.877 15.838 ( 9.631 -3.268 0.046) 10.170 ======================= Grid point 190 (74/256) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -10.022 10.169 -0.354) 14.282 2.168 ( 8.861 10.397 0.606) 13.674 2.626 ( 3.797 20.299 -0.200) 20.652 2.660 ( -2.740 19.985 0.625) 20.182 3.228 ( 0.080 5.197 0.100) 5.198 3.238 ( -0.037 5.646 -0.068) 5.647 4.117 ( 0.346 -2.360 0.342) 2.409 4.180 ( -0.322 -2.802 -0.138) 2.824 5.291 ( 0.068 33.665 0.159) 33.666 5.297 ( -0.046 33.445 0.204) 33.446 6.795 ( -0.798 17.478 -0.163) 17.497 6.802 ( 0.776 17.333 0.147) 17.351 6.963 ( -0.175 9.070 0.135) 9.072 6.983 ( -0.003 10.182 0.169) 10.184 7.308 ( 0.929 -5.059 -0.084) 5.144 7.377 ( -0.674 -6.248 -0.903) 6.349 8.017 ( 3.355 -1.750 -0.387) 3.803 8.023 ( -3.577 -1.655 -0.513) 3.974 8.882 ( 0.894 2.176 0.223) 2.363 8.901 ( -0.701 2.526 0.309) 2.640 9.937 ( 6.679 -3.955 -0.082) 7.762 9.953 ( -6.726 -4.257 -0.338) 7.967 15.820 ( 0.165 -2.322 -0.167) 2.334 15.934 ( -0.173 -3.174 -0.083) 3.180 ======================= Grid point 191 (75/256) ======================= q-point: (-0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -17.975 11.114 -0.138) 21.134 2.193 ( -6.234 15.480 0.506) 16.696 2.634 ( -1.375 16.517 -0.513) 16.583 2.709 ( 3.675 19.834 0.835) 20.189 3.156 ( -6.842 7.095 -0.199) 9.859 3.204 ( -2.790 3.880 0.451) 4.800 3.993 ( -12.574 -3.064 0.403) 12.949 4.048 ( -12.880 -2.470 -0.312) 13.119 5.205 ( -7.900 32.883 0.065) 33.818 5.242 ( -6.052 34.599 0.264) 35.125 6.804 ( 1.576 18.574 -0.101) 18.641 6.854 ( 4.514 17.150 -0.028) 17.734 6.968 ( 0.674 7.840 0.231) 7.873 6.994 ( 0.907 11.695 0.135) 11.731 7.348 ( 3.015 -4.318 0.659) 5.308 7.374 ( 0.663 -6.346 -1.520) 6.559 7.904 ( -7.175 0.219 -0.247) 7.183 8.039 ( -2.204 -4.243 -0.692) 4.831 8.901 ( 3.204 2.501 0.278) 4.074 8.935 ( 1.967 2.445 0.134) 3.141 9.773 ( -8.999 -3.962 -0.477) 9.844 10.087 ( 6.232 -4.409 0.036) 7.634 15.725 ( -9.409 -2.464 -0.106) 9.726 15.831 ( -9.847 -2.999 -0.153) 10.295 ======================= Grid point 192 (76/256) ======================= q-point: (-0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -19.554 14.856 0.828) 24.571 1.969 ( -15.665 15.831 0.524) 22.277 2.520 ( -10.470 22.157 -1.108) 24.531 2.735 ( -3.539 10.406 1.079) 11.044 2.998 ( -6.400 16.370 -0.558) 17.585 3.159 ( -2.811 1.257 1.206) 3.307 3.655 ( -19.698 -4.246 0.150) 20.152 3.678 ( -23.638 -2.418 -0.665) 23.770 4.996 ( -12.628 32.448 -0.111) 34.819 5.072 ( -10.523 36.259 0.297) 37.756 6.849 ( 2.740 20.249 -0.026) 20.434 6.972 ( 5.478 13.026 -0.158) 14.132 6.990 ( 1.333 7.794 0.112) 7.908 7.035 ( 5.505 17.233 0.341) 18.094 7.392 ( 1.642 -5.565 -2.491) 6.314 7.427 ( 4.413 -3.186 1.637) 5.684 7.748 ( -8.250 0.734 0.034) 8.282 7.929 ( -8.065 -5.472 -0.583) 9.763 8.948 ( -1.028 3.348 -0.610) 3.555 9.034 ( 9.817 0.988 0.092) 9.867 9.611 ( -6.585 -3.902 -0.798) 7.696 10.176 ( 2.520 -4.943 0.550) 5.576 15.469 ( -15.536 -2.590 -0.066) 15.750 15.566 ( -16.064 -2.849 -0.152) 16.315 ======================= Grid point 193 (77/256) ======================= q-point: (-0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -14.292 19.865 2.489) 24.598 1.585 ( -22.946 13.859 0.410) 26.810 2.260 ( -13.665 32.524 -0.862) 35.289 2.521 ( -16.050 0.851 0.561) 16.083 2.925 ( -21.264 0.647 1.082) 21.301 2.969 ( -1.318 21.732 -0.204) 21.773 3.151 ( -26.990 -0.338 0.386) 26.995 3.406 ( -2.346 -4.280 -1.300) 5.051 4.730 ( -13.359 32.404 -0.227) 35.051 4.853 ( -10.974 38.141 0.269) 39.689 6.906 ( 2.781 22.014 0.206) 22.189 7.010 ( 0.851 9.766 -0.563) 9.819 7.033 ( 2.202 8.948 1.408) 9.322 7.249 ( 12.185 16.814 -0.470) 20.770 7.427 ( 2.970 -3.013 -3.945) 5.785 7.521 ( 4.168 -1.194 1.872) 4.723 7.604 ( -4.446 1.577 0.254) 4.724 7.754 ( -8.476 -6.220 0.230) 10.515 8.876 ( -5.945 3.790 -2.910) 7.627 9.272 ( 13.575 -1.381 -0.084) 13.646 9.524 ( -1.952 -3.216 -0.643) 3.816 10.183 ( -2.189 -5.590 1.072) 6.098 15.148 ( -15.764 -2.712 0.068) 15.996 15.233 ( -16.370 -2.781 -0.144) 16.605 ======================= Grid point 194 (78/256) ======================= q-point: (-0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -3.531 23.017 4.425) 23.703 1.106 ( -23.059 17.808 0.627) 29.142 2.031 ( -8.412 39.747 -0.362) 40.629 2.181 ( -16.680 0.832 -0.980) 16.729 2.446 ( -20.997 -2.661 1.280) 21.204 2.630 ( -20.101 -3.890 0.311) 20.476 3.024 ( 1.763 26.861 0.073) 26.919 3.424 ( 2.131 -3.475 -1.266) 4.269 4.499 ( -9.010 32.748 -0.172) 33.966 4.667 ( -7.103 39.728 0.171) 40.358 6.954 ( 1.792 23.257 0.517) 23.332 7.023 ( 0.653 11.120 -0.935) 11.179 7.078 ( 1.743 8.990 2.404) 9.468 7.327 ( -2.459 3.932 0.838) 4.713 7.459 ( 0.638 -4.636 -4.239) 6.314 7.545 ( -2.543 -2.769 -0.439) 3.785 7.626 ( 0.095 -3.902 1.837) 4.314 7.815 ( 19.820 9.009 -1.451) 21.820 8.698 ( -10.506 4.351 -8.080) 13.950 9.513 ( 1.588 -2.043 -0.395) 2.618 9.551 ( 12.698 -3.136 -0.053) 13.079 10.096 ( -6.642 -6.439 1.618) 9.391 14.886 ( -9.752 -2.935 0.360) 10.190 14.959 ( -10.278 -2.800 -0.131) 10.653 ======================= Grid point 195 (79/256) ======================= q-point: ( 0.00 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.488 25.700 0.787) 25.717 1.408 ( -0.362 22.885 1.733) 22.953 2.009 ( -0.538 1.560 -4.208) 4.520 2.212 ( 0.629 -0.217 4.292) 4.344 2.380 ( -0.030 3.042 -0.384) 3.066 2.655 ( -0.329 24.377 -2.262) 24.484 3.442 ( 0.130 7.238 -0.079) 7.240 3.574 ( -0.059 23.845 1.285) 23.880 5.100 ( 0.170 35.144 0.030) 35.144 5.390 ( -0.184 38.269 -0.068) 38.269 7.107 ( -0.244 -4.713 1.240) 4.879 7.279 ( 0.162 1.382 -0.256) 1.415 7.307 ( 2.291 -1.075 0.010) 2.531 7.316 ( -1.305 6.795 -1.183) 7.019 7.364 ( -0.905 -7.122 -0.327) 7.186 7.383 ( 0.224 5.107 1.638) 5.368 7.832 ( -0.043 22.023 1.262) 22.059 8.170 ( 0.154 5.195 0.044) 5.198 8.620 ( -0.068 3.903 -6.278) 7.393 9.498 ( 0.112 -1.156 -0.447) 1.244 9.656 ( 0.611 -4.874 -0.066) 4.912 9.832 ( -0.712 -7.177 0.594) 7.237 14.723 ( 0.034 -3.255 0.271) 3.266 14.791 ( 0.002 -3.285 -0.279) 3.297 ======================= Grid point 196 (80/256) ======================= q-point: ( 0.10 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.925 23.723 1.421) 23.945 1.535 ( 16.020 21.916 0.855) 27.161 2.213 ( 18.564 2.993 -2.638) 18.988 2.443 ( 19.693 0.971 2.936) 19.935 2.565 ( 18.425 0.020 -0.146) 18.426 2.691 ( 4.403 21.393 -2.730) 22.012 3.433 ( -0.647 8.539 0.115) 8.565 3.560 ( -1.448 24.703 1.214) 24.775 5.190 ( 8.471 34.745 0.075) 35.763 5.449 ( 5.889 37.814 -0.129) 38.270 7.086 ( -1.915 -4.975 1.257) 5.477 7.264 ( -1.765 -4.304 -2.386) 5.229 7.284 ( -0.812 11.127 0.255) 11.159 7.341 ( -0.663 6.893 2.439) 7.342 7.404 ( 4.071 -1.196 0.171) 4.247 7.444 ( 6.839 -6.858 -0.630) 9.706 7.792 ( -4.173 20.697 1.047) 21.139 7.968 ( -15.378 7.940 -1.129) 17.344 8.763 ( 11.389 4.881 -4.259) 13.102 9.480 ( -3.823 -2.214 -0.348) 4.431 9.488 ( -9.550 -3.258 0.122) 10.091 9.952 ( 7.123 -6.874 0.362) 9.905 14.826 ( 9.900 -3.139 0.243) 10.388 14.896 ( 10.329 -3.418 -0.273) 10.883 ======================= Grid point 197 (81/256) ======================= q-point: ( 0.20 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 10.434 22.177 1.069) 24.532 1.909 ( 19.734 16.912 0.615) 25.997 2.577 ( 16.744 5.260 -0.343) 17.555 2.773 ( 4.480 14.050 -2.202) 14.910 2.937 ( 27.083 1.092 0.981) 27.122 3.048 ( 26.030 -0.288 -0.942) 26.049 3.449 ( 3.719 10.862 0.556) 11.495 3.534 ( -0.927 25.740 0.877) 25.771 5.409 ( 12.821 33.917 0.034) 36.259 5.607 ( 9.491 36.791 -0.063) 37.996 7.047 ( -2.240 -4.827 1.338) 5.487 7.211 ( -2.849 -2.530 -2.671) 4.653 7.271 ( -0.657 8.876 0.322) 8.906 7.308 ( -2.481 10.064 2.063) 10.569 7.512 ( 3.335 4.384 -1.194) 5.637 7.579 ( 4.178 -6.299 0.758) 7.597 7.672 ( -10.335 5.757 -0.356) 11.835 7.717 ( -1.229 14.793 0.038) 14.844 8.961 ( 8.290 7.042 -2.161) 11.090 9.253 ( -10.849 -0.336 -0.131) 10.855 9.464 ( 0.438 -3.380 -0.168) 3.413 10.056 ( 2.967 -6.480 0.363) 7.136 15.090 ( 15.807 -2.897 0.108) 16.071 15.170 ( 16.389 -3.648 -0.198) 16.791 ======================= Grid point 198 (82/256) ======================= q-point: ( 0.30 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 15.060 17.822 0.831) 23.348 2.267 ( 15.051 14.452 0.431) 20.871 2.812 ( 2.267 7.333 -1.597) 7.840 2.862 ( 9.286 5.126 0.153) 10.609 3.340 ( 10.456 15.997 0.533) 19.118 3.430 ( 7.224 15.735 -0.775) 17.332 3.620 ( 15.958 9.947 0.190) 18.806 3.685 ( 18.594 1.692 0.495) 18.677 5.667 ( 12.493 33.384 0.018) 35.645 5.799 ( 9.205 35.645 0.062) 36.814 7.009 ( -1.712 -4.072 1.226) 4.584 7.137 ( -3.983 -1.667 -1.957) 4.741 7.255 ( -1.373 10.773 0.373) 10.866 7.273 ( -1.071 9.019 0.917) 9.129 7.392 ( -8.041 15.297 -1.486) 17.346 7.493 ( -7.829 6.621 1.000) 10.302 7.722 ( 7.881 -4.345 0.322) 9.006 7.832 ( 7.652 -3.510 -0.530) 8.435 9.049 ( 0.754 7.570 -0.620) 7.632 9.073 ( -6.671 3.910 -0.204) 7.735 9.529 ( 6.313 -4.237 -0.434) 7.616 10.069 ( -1.591 -5.802 0.323) 6.025 15.412 ( 15.605 -2.707 -0.027) 15.838 15.502 ( 15.976 -3.876 -0.110) 16.440 ======================= Grid point 199 (83/256) ======================= q-point: ( 0.40 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 14.695 13.169 0.726) 19.745 2.449 ( 1.831 11.886 -0.055) 12.026 2.842 ( 3.306 7.908 -0.750) 8.604 2.982 ( 1.774 7.547 0.793) 7.793 3.473 ( 4.171 21.026 -0.237) 21.437 3.491 ( 2.383 22.256 -0.519) 22.390 3.957 ( 13.184 0.902 0.140) 13.215 4.014 ( 12.189 -1.169 0.081) 12.245 5.879 ( 8.317 33.457 0.065) 34.475 5.946 ( 5.032 34.682 0.156) 35.045 6.989 ( -0.540 -2.717 0.917) 2.918 7.054 ( -3.564 0.057 -1.219) 3.767 7.227 ( -1.171 13.670 0.291) 13.723 7.262 ( -1.390 6.898 -0.532) 7.057 7.277 ( -2.284 13.993 -0.002) 14.178 7.362 ( -5.137 3.132 0.383) 6.029 7.864 ( 5.996 -4.249 -0.120) 7.350 7.945 ( 3.276 -5.476 -0.351) 6.391 8.980 ( -2.170 6.219 -0.112) 6.588 9.032 ( -2.097 6.829 0.028) 7.144 9.686 ( 8.829 -3.658 -0.474) 9.568 9.999 ( -5.393 -4.973 0.199) 7.339 15.670 ( 9.564 -2.674 -0.102) 9.931 15.764 ( 9.659 -3.969 -0.060) 10.443 ======================= Grid point 200 (84/256) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -8.245 10.693 0.036) 13.502 2.381 ( 7.995 10.434 0.213) 13.146 2.931 ( 4.242 10.335 0.251) 11.175 2.955 ( -3.786 9.456 0.728) 10.212 3.508 ( -0.194 21.145 -0.692) 21.157 3.523 ( 0.090 20.957 -0.515) 20.964 4.090 ( -0.150 0.025 0.088) 0.176 4.138 ( 0.148 -0.975 0.148) 0.997 5.981 ( 0.270 34.103 0.142) 34.104 5.982 ( -0.268 33.828 0.162) 33.829 6.980 ( -1.091 -2.103 0.088) 2.370 7.019 ( 1.072 1.197 -0.370) 1.648 7.212 ( -0.434 14.244 -0.226) 14.253 7.237 ( 0.734 14.089 0.358) 14.112 7.283 ( 1.342 5.031 -0.187) 5.210 7.295 ( -1.755 1.634 -0.051) 2.399 7.945 ( 1.416 -5.044 -0.237) 5.244 7.954 ( -1.560 -4.824 -0.405) 5.086 8.972 ( 0.485 6.518 0.079) 6.537 8.998 ( -0.300 6.779 0.112) 6.787 9.855 ( 7.667 -3.866 -0.208) 8.589 9.865 ( -7.653 -4.198 -0.102) 8.730 15.767 ( 0.017 -2.779 -0.121) 2.781 15.862 ( -0.011 -3.880 -0.056) 3.880 ======================= Grid point 201 (85/256) ======================= q-point: (-0.40 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -14.444 13.867 -0.034) 20.023 2.459 ( -3.052 11.865 0.290) 12.255 2.883 ( -2.283 6.716 0.315) 7.101 2.968 ( -1.468 8.158 0.610) 8.312 3.464 ( -4.109 21.286 -0.580) 21.687 3.490 ( -2.670 21.909 -0.527) 22.078 3.955 ( -13.060 -0.195 0.029) 13.062 4.016 ( -12.404 -0.171 0.210) 12.407 5.879 ( -8.462 33.274 0.043) 34.333 5.948 ( -4.890 34.822 0.226) 35.165 6.970 ( 0.331 -3.108 -0.033) 3.126 7.073 ( 3.963 1.325 -0.266) 4.188 7.217 ( 0.905 15.100 -0.126) 15.127 7.272 ( -0.293 5.964 0.178) 5.974 7.288 ( 4.054 10.854 -0.072) 11.586 7.344 ( 4.994 4.581 -0.044) 6.777 7.864 ( -6.267 -3.982 -0.065) 7.425 7.936 ( -3.232 -5.355 -0.674) 6.290 8.988 ( 2.216 6.021 0.158) 6.418 9.032 ( 2.432 6.817 0.019) 7.238 9.692 ( -8.979 -3.742 -0.290) 9.732 9.992 ( 5.559 -4.751 -0.021) 7.312 15.670 ( -9.553 -2.923 -0.103) 9.990 15.763 ( -9.652 -3.681 -0.078) 10.331 ======================= Grid point 202 (86/256) ======================= q-point: (-0.30 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -14.760 18.305 0.336) 23.517 2.260 ( -15.633 14.437 0.196) 21.281 2.845 ( -7.402 6.525 -0.818) 9.902 2.871 ( -4.009 5.967 0.725) 7.225 3.334 ( -10.574 15.402 0.304) 18.685 3.428 ( -5.182 17.828 -0.765) 18.581 3.619 ( -17.629 3.802 0.042) 18.035 3.678 ( -18.925 5.703 0.357) 19.769 5.663 ( -12.671 33.141 -0.114) 35.481 5.805 ( -9.046 35.818 0.263) 36.944 6.992 ( 1.824 -4.280 0.381) 4.668 7.158 ( 4.282 -0.177 -1.013) 4.403 7.240 ( 1.359 13.059 0.179) 13.131 7.272 ( 0.355 5.385 0.504) 5.421 7.413 ( 8.831 13.903 -1.126) 16.509 7.476 ( 7.565 7.265 0.937) 10.530 7.715 ( -8.397 -3.895 0.116) 9.257 7.823 ( -7.344 -3.134 -0.806) 8.025 9.060 ( -0.273 7.345 -0.310) 7.356 9.078 ( 6.723 3.737 -0.000) 7.692 9.529 ( -6.579 -4.103 -0.468) 7.768 10.068 ( 1.812 -5.698 0.268) 5.985 15.411 ( -15.647 -3.035 -0.049) 15.939 15.501 ( -15.913 -3.477 -0.120) 16.289 ======================= Grid point 203 (87/256) ======================= q-point: (-0.20 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -10.216 22.246 0.879) 24.495 1.893 ( -20.176 17.197 0.101) 26.511 2.586 ( -15.933 5.408 -0.114) 16.826 2.794 ( -5.810 14.438 -1.435) 15.629 2.928 ( -27.549 0.538 0.629) 27.561 3.073 ( -25.847 -0.858 -0.145) 25.862 3.429 ( -2.381 12.491 -0.038) 12.716 3.530 ( 0.296 24.201 0.741) 24.214 5.402 ( -12.866 33.673 -0.192) 36.048 5.616 ( -9.485 36.960 0.222) 38.158 7.038 ( 2.437 -4.933 0.843) 5.567 7.224 ( 2.631 -0.284 -2.161) 3.417 7.267 ( 0.959 10.401 0.392) 10.452 7.294 ( 1.871 5.476 1.264) 5.923 7.528 ( -6.785 1.095 -0.246) 6.877 7.569 ( -1.587 -3.994 0.085) 4.299 7.669 ( 12.497 7.798 -0.228) 14.732 7.708 ( 0.454 14.518 -0.307) 14.529 8.981 ( -7.510 6.336 -1.544) 9.946 9.253 ( 10.526 -0.259 -0.112) 10.530 9.459 ( -0.360 -3.093 -0.341) 3.132 10.059 ( -2.812 -6.521 0.499) 7.119 15.088 ( -15.878 -3.120 0.047) 16.182 15.171 ( -16.298 -3.327 -0.177) 16.635 ======================= Grid point 204 (88/256) ======================= q-point: (-0.10 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -3.026 23.484 1.507) 23.726 1.517 ( -15.895 22.403 0.263) 27.470 2.240 ( -17.780 3.446 -2.401) 18.269 2.415 ( -20.736 -0.435 2.523) 20.894 2.560 ( -16.766 2.414 -0.432) 16.945 2.721 ( -6.355 20.222 -1.525) 21.252 3.427 ( 1.031 8.804 -0.085) 8.865 3.556 ( 1.331 23.866 1.121) 23.930 5.184 ( -8.271 34.594 -0.115) 35.569 5.455 ( -6.131 37.917 0.088) 38.409 7.086 ( 1.896 -4.978 1.190) 5.458 7.259 ( 1.761 -2.154 -1.988) 3.420 7.281 ( 0.517 10.160 0.112) 10.173 7.337 ( 1.226 4.169 1.494) 4.595 7.396 ( -4.671 -1.351 0.146) 4.865 7.452 ( -6.312 -5.523 -0.290) 8.392 7.788 ( 4.051 21.281 0.893) 21.681 7.969 ( 15.472 7.622 -1.034) 17.278 8.783 ( -10.737 3.964 -3.609) 12.001 9.474 ( 6.566 -2.183 -0.335) 6.927 9.485 ( 6.857 -2.851 -0.177) 7.428 9.960 ( -7.152 -7.016 0.625) 10.038 14.824 ( -9.904 -3.207 0.173) 10.412 14.897 ( -10.280 -3.261 -0.235) 10.788 ======================= Grid point 205 (89/256) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.133 19.029 -0.249) 19.031 1.837 ( 0.286 20.661 0.566) 20.670 2.020 ( -0.363 1.305 -3.971) 4.196 2.184 ( 0.565 -1.489 3.391) 3.746 2.541 ( -0.123 11.273 0.186) 11.275 2.870 ( -0.319 0.491 -1.983) 2.067 3.763 ( -0.128 21.179 -0.205) 21.180 4.000 ( 0.148 17.986 1.934) 18.091 5.780 ( 0.221 31.907 0.076) 31.908 6.096 ( -0.204 31.535 -0.176) 31.536 6.962 ( -0.240 -7.838 1.246) 7.940 7.133 ( 1.077 -8.341 -1.163) 8.490 7.175 ( -0.722 -8.803 -1.054) 8.895 7.239 ( 0.137 -6.350 0.970) 6.425 7.522 ( -0.066 8.404 0.086) 8.405 7.535 ( 0.031 7.528 0.283) 7.533 8.315 ( 0.056 22.778 0.583) 22.785 8.327 ( 0.014 10.059 0.002) 10.059 8.675 ( -0.053 2.197 -1.875) 2.889 9.482 ( 0.005 -0.436 -0.312) 0.536 9.542 ( 0.260 -6.523 -0.082) 6.529 9.702 ( -0.292 -5.711 0.074) 5.718 14.661 ( 0.058 -2.826 0.290) 2.842 14.725 ( -0.048 -3.204 -0.363) 3.225 ======================= Grid point 206 (90/256) ======================= q-point: ( 0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 3.372 19.490 -0.142) 19.780 1.983 ( 12.242 21.819 0.652) 25.027 2.242 ( 21.536 0.468 -3.399) 21.808 2.434 ( 21.880 -2.146 3.208) 22.218 2.662 ( 12.076 8.980 -0.077) 15.049 2.868 ( 0.580 0.151 -2.118) 2.201 3.778 ( 1.755 21.429 -0.292) 21.503 4.000 ( -0.529 18.607 1.915) 18.713 5.861 ( 7.587 31.412 0.187) 32.316 6.148 ( 5.301 31.323 -0.272) 31.770 6.940 ( -1.878 -7.781 1.267) 8.104 7.109 ( -2.009 -8.089 -1.917) 8.553 7.242 ( 6.047 -9.381 0.168) 11.162 7.300 ( 5.360 -6.400 0.706) 8.378 7.515 ( -0.708 9.114 -0.098) 9.142 7.525 ( -0.948 6.886 0.352) 6.959 8.139 ( -13.428 9.798 -0.585) 16.633 8.250 ( -6.627 20.744 0.613) 21.785 8.855 ( 13.354 4.656 -1.291) 14.201 9.414 ( -8.372 -3.213 -0.030) 8.968 9.458 ( -2.240 -0.664 -0.254) 2.350 9.815 ( 7.079 -6.702 0.003) 9.748 14.766 ( 10.043 -2.764 0.342) 10.422 14.828 ( 10.152 -3.312 -0.418) 10.687 ======================= Grid point 207 (91/256) ======================= q-point: ( 0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.751 18.244 -0.057) 19.822 2.273 ( 15.920 18.882 0.358) 24.700 2.685 ( 19.481 4.914 -1.211) 20.128 2.853 ( 3.006 -2.601 -1.005) 4.100 2.973 ( 25.194 2.541 1.702) 25.379 3.041 ( 25.570 1.152 -1.213) 25.624 3.835 ( 4.120 21.900 -0.378) 22.287 3.996 ( -0.149 19.776 1.509) 19.834 6.060 ( 11.781 30.250 0.200) 32.464 6.291 ( 8.628 30.797 -0.248) 31.984 6.904 ( -1.968 -7.635 1.362) 8.001 7.058 ( -2.630 -8.193 -2.137) 8.866 7.373 ( 6.133 -7.958 1.000) 10.097 7.437 ( 7.354 -7.384 0.282) 10.425 7.491 ( -1.228 9.661 0.278) 9.743 7.511 ( -0.411 5.591 -0.224) 5.611 7.880 ( -11.655 11.487 -0.673) 16.378 8.081 ( -9.479 16.951 0.301) 19.423 9.109 ( 11.252 7.412 -0.799) 13.498 9.266 ( -6.238 1.674 -0.049) 6.459 9.408 ( -2.002 -2.077 -0.127) 2.887 9.925 ( 3.657 -6.433 0.026) 7.400 15.034 ( 15.964 -2.647 0.321) 16.185 15.097 ( 16.151 -3.533 -0.402) 16.538 ======================= Grid point 208 (92/256) ======================= q-point: ( 0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 10.583 14.887 0.059) 18.265 2.565 ( 11.420 14.469 0.329) 18.436 2.867 ( 2.192 0.453 -1.110) 2.498 2.986 ( 11.106 7.377 -0.149) 13.334 3.493 ( 23.423 2.516 0.474) 23.563 3.549 ( 22.659 0.926 -0.528) 22.684 3.935 ( 5.911 20.293 -0.256) 21.138 4.013 ( 1.917 20.066 0.822) 20.174 6.302 ( 11.925 29.104 0.153) 31.453 6.465 ( 8.391 30.177 -0.153) 31.323 6.874 ( -1.261 -7.462 1.300) 7.679 6.996 ( -2.975 -8.151 -1.979) 8.900 7.443 ( -1.446 6.176 0.367) 6.354 7.457 ( 0.746 2.399 0.835) 2.648 7.500 ( -1.320 -0.271 -0.166) 1.358 7.577 ( 2.565 -3.587 0.515) 4.439 7.712 ( -2.437 10.950 -0.726) 11.241 7.928 ( -4.634 10.746 -0.198) 11.705 9.166 ( -3.586 5.440 -0.033) 6.516 9.220 ( -0.859 7.793 -0.283) 7.845 9.459 ( 8.037 -2.102 -0.251) 8.311 9.956 ( -0.487 -5.300 0.029) 5.323 15.358 ( 15.657 -2.557 0.218) 15.866 15.424 ( 15.807 -3.764 -0.300) 16.251 ======================= Grid point 209 (93/256) ======================= q-point: ( 0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 10.387 10.590 0.227) 14.836 2.648 ( -2.217 6.875 -0.095) 7.224 2.985 ( 8.576 8.489 -0.375) 12.072 3.133 ( 3.568 8.296 0.122) 9.032 3.830 ( 9.794 8.891 0.034) 13.228 3.861 ( 8.237 10.416 -0.604) 13.293 4.071 ( 7.533 11.586 0.369) 13.825 4.090 ( 5.450 13.539 -0.022) 14.594 6.510 ( 8.513 28.523 0.091) 29.767 6.597 ( 4.331 29.547 -0.073) 29.863 6.864 ( -0.067 -7.231 1.055) 7.308 6.936 ( -2.471 -7.902 -1.565) 8.426 7.399 ( -2.245 6.347 0.060) 6.732 7.437 ( -3.870 0.410 0.433) 3.916 7.470 ( 0.397 8.435 0.320) 8.450 7.529 ( -3.300 8.457 0.117) 9.079 7.786 ( 5.376 -0.650 -0.378) 5.428 7.895 ( -0.100 2.178 -0.318) 2.204 9.118 ( -1.264 6.721 -0.039) 6.839 9.171 ( -2.629 5.890 -0.026) 6.450 9.639 ( 8.947 -0.464 -0.259) 8.963 9.910 ( -4.061 -3.646 -0.000) 5.457 15.616 ( 9.490 -2.560 0.061) 9.829 15.684 ( 9.651 -3.884 -0.142) 10.404 ======================= Grid point 210 (94/256) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -4.303 7.379 0.216) 8.545 2.561 ( 4.319 7.051 -0.091) 8.269 3.119 ( 2.550 9.566 0.366) 9.907 3.129 ( -2.407 9.309 -0.254) 9.618 3.917 ( 0.053 14.077 -0.248) 14.079 3.925 ( -0.104 16.136 -0.554) 16.146 4.152 ( -0.785 7.827 -0.501) 7.882 4.170 ( 0.733 6.519 0.759) 6.604 6.617 ( -1.735 28.558 0.025) 28.610 6.623 ( 1.727 28.952 -0.037) 29.004 6.860 ( -1.046 -7.019 0.170) 7.099 6.915 ( 1.200 -7.635 -0.524) 7.746 7.372 ( -0.026 4.200 0.014) 4.200 7.393 ( -0.132 4.163 0.274) 4.174 7.484 ( -1.518 9.455 0.091) 9.576 7.486 ( 1.214 9.147 0.149) 9.228 7.863 ( 1.533 -1.219 -0.217) 1.971 7.878 ( -1.433 -0.961 -0.408) 1.773 9.110 ( 0.186 6.244 0.032) 6.247 9.139 ( -0.102 6.271 -0.009) 6.272 9.796 ( 4.091 -1.739 -0.217) 4.451 9.802 ( -4.035 -1.638 -0.026) 4.355 15.712 ( -0.114 -2.640 -0.064) 2.644 15.783 ( 0.125 -3.845 -0.016) 3.847 ======================= Grid point 211 (95/256) ======================= q-point: (-0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -10.211 11.071 -0.139) 15.061 2.657 ( 1.521 6.750 0.202) 6.922 2.998 ( -7.923 7.193 -0.019) 10.702 3.130 ( -3.452 8.702 0.055) 9.362 3.829 ( -10.125 9.047 -0.292) 13.581 3.858 ( -7.759 10.437 -0.283) 13.008 4.060 ( -6.669 13.861 -0.663) 15.396 4.099 ( -6.680 11.340 0.795) 13.186 6.504 ( -8.681 28.187 -0.102) 29.494 6.603 ( -4.162 29.675 0.114) 29.966 6.844 ( -0.147 -7.159 0.055) 7.161 6.960 ( 2.963 -7.821 -0.453) 8.375 7.400 ( 2.271 5.992 0.098) 6.409 7.431 ( 3.112 0.836 0.317) 3.238 7.464 ( -0.287 8.896 -0.016) 8.900 7.526 ( 2.946 7.780 0.018) 8.319 7.795 ( -5.282 -0.380 -0.061) 5.296 7.889 ( 0.392 2.344 -0.553) 2.440 9.121 ( 1.274 6.502 0.084) 6.626 9.171 ( 2.776 5.887 -0.042) 6.509 9.642 ( -8.934 -0.641 -0.152) 8.958 9.908 ( 4.162 -3.416 -0.074) 5.385 15.612 ( -9.659 -2.721 -0.083) 10.035 15.688 ( -9.460 -3.702 0.003) 10.159 ======================= Grid point 212 (96/256) ======================= q-point: (-0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -10.434 15.133 -0.196) 18.383 2.557 ( -11.864 14.502 0.076) 18.737 2.891 ( -2.047 -1.023 -0.446) 2.332 2.985 ( -10.891 7.592 -0.042) 13.276 3.482 ( -23.986 2.083 0.073) 24.077 3.560 ( -21.808 1.472 -0.084) 21.858 3.941 ( -5.352 21.841 -0.504) 22.493 3.996 ( -2.900 18.988 0.685) 19.220 6.292 ( -12.090 28.806 -0.157) 31.240 6.475 ( -8.216 30.266 0.156) 31.362 6.857 ( 1.360 -7.338 0.451) 7.476 7.020 ( 3.097 -8.166 -0.951) 8.785 7.426 ( -1.769 1.045 0.299) 2.076 7.449 ( 1.776 7.899 0.096) 8.096 7.507 ( 1.834 0.758 0.002) 1.984 7.565 ( -2.578 -3.889 0.135) 4.668 7.723 ( 2.203 10.131 -0.284) 10.372 7.925 ( 4.765 10.925 -0.303) 11.923 9.168 ( 3.404 5.236 0.039) 6.245 9.224 ( 1.302 7.529 -0.143) 7.642 9.461 ( -8.155 -2.035 -0.203) 8.408 9.956 ( 0.604 -5.220 0.027) 5.255 15.352 ( -15.717 -2.765 -0.014) 15.959 15.430 ( -15.727 -3.521 -0.066) 16.116 ======================= Grid point 213 (97/256) ======================= q-point: (-0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -7.625 18.185 -0.243) 19.721 2.262 ( -16.075 19.058 -0.010) 24.932 2.702 ( -17.986 5.487 -0.913) 18.827 2.838 ( -9.690 -4.984 -0.787) 10.925 2.959 ( -22.256 2.965 0.548) 22.459 3.077 ( -23.135 1.453 0.223) 23.182 3.844 ( -4.091 23.202 -0.324) 23.562 3.973 ( -0.037 19.079 1.034) 19.108 6.048 ( -11.766 30.063 -0.171) 32.284 6.302 ( -8.636 30.846 0.122) 32.033 6.895 ( 2.122 -7.597 0.858) 7.935 7.073 ( 2.496 -8.192 -1.469) 8.689 7.351 ( -5.553 -6.845 0.243) 8.818 7.434 ( -7.994 -6.035 0.235) 10.019 7.488 ( 1.822 8.760 0.053) 8.947 7.518 ( 0.077 4.676 0.073) 4.677 7.884 ( 11.635 11.016 -0.520) 16.031 8.078 ( 9.415 17.234 0.199) 19.639 9.115 ( -10.982 6.823 -0.585) 12.942 9.267 ( 6.014 1.712 -0.008) 6.253 9.408 ( 2.106 -1.874 -0.130) 2.822 9.927 ( -3.567 -6.534 0.100) 7.445 15.028 ( -15.938 -2.793 0.089) 16.181 15.103 ( -16.160 -3.347 -0.169) 16.503 ======================= Grid point 214 (98/256) ======================= q-point: (-0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.157 19.093 -0.242) 19.354 1.971 ( -12.172 21.970 0.193) 25.117 2.271 ( -21.410 0.269 -3.548) 21.704 2.395 ( -20.901 -1.833 3.019) 21.198 2.666 ( -12.191 8.826 0.110) 15.051 2.892 ( -1.605 -0.189 -1.308) 2.079 3.783 ( -1.939 22.238 -0.225) 22.323 3.986 ( 0.700 18.189 1.582) 18.271 5.852 ( -7.293 31.334 -0.081) 32.171 6.156 ( -5.578 31.340 -0.009) 31.832 6.939 ( 1.884 -7.824 1.174) 8.133 7.109 ( 1.578 -8.080 -1.766) 8.420 7.238 ( -4.941 -8.992 -0.095) 10.261 7.294 ( -5.507 -6.081 0.577) 8.224 7.517 ( 0.832 9.058 -0.101) 9.097 7.524 ( 0.645 6.671 0.365) 6.712 8.139 ( 13.388 9.408 -0.561) 16.372 8.247 ( 6.587 21.096 0.546) 22.107 8.862 ( -13.155 4.169 -1.076) 13.841 9.412 ( 8.285 -3.069 -0.093) 8.836 9.459 ( 2.277 -0.538 -0.239) 2.351 9.819 ( -7.066 -6.930 0.125) 9.899 14.762 ( -9.956 -2.820 0.196) 10.349 14.831 ( -10.222 -3.228 -0.272) 10.722 ======================= Grid point 215 (99/256) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.090 -0.355 -2.889) 2.912 2.075 ( 1.394 -1.194 2.016) 2.726 2.172 ( -0.761 13.346 -0.412) 13.374 2.361 ( 0.145 18.560 -0.222) 18.562 2.762 ( -0.124 8.590 0.410) 8.600 2.817 ( -0.266 -3.270 -0.531) 3.323 4.140 ( -0.325 14.867 -1.474) 14.944 4.285 ( 0.264 10.346 2.197) 10.580 6.352 ( 0.232 24.489 0.174) 24.490 6.634 ( -0.129 21.595 -0.293) 21.598 6.834 ( -0.244 -4.340 1.173) 4.502 6.979 ( 1.294 -7.165 -0.650) 7.310 7.014 ( -1.153 -6.494 -1.215) 6.707 7.099 ( 0.072 -6.936 0.510) 6.956 7.636 ( 0.014 4.364 -0.641) 4.411 7.680 ( 0.079 5.478 0.188) 5.481 8.548 ( 0.218 11.678 0.009) 11.680 8.693 ( -0.233 14.208 0.339) 14.214 8.730 ( 0.014 3.633 0.047) 3.633 9.394 ( -0.027 -8.210 -0.084) 8.210 9.479 ( -0.022 0.100 -0.138) 0.171 9.606 ( 0.053 -3.884 -0.064) 3.885 14.613 ( 0.058 -1.871 0.311) 1.897 14.665 ( -0.066 -2.740 -0.321) 2.760 ======================= Grid point 216 (100/256) ======================= q-point: ( 0.10 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 8.356 6.024 -1.754) 10.450 2.265 ( 18.382 8.028 -0.760) 20.073 2.342 ( 21.968 1.769 1.465) 22.088 2.454 ( 9.654 13.881 0.003) 16.908 2.814 ( 2.671 -1.582 -0.226) 3.112 2.863 ( 7.793 7.067 -0.098) 10.521 4.152 ( 1.894 14.634 -1.347) 14.817 4.296 ( 0.348 10.725 2.021) 10.919 6.422 ( 6.507 23.880 0.303) 24.752 6.683 ( 4.966 21.381 -0.374) 21.953 6.814 ( -1.602 -4.063 1.108) 4.506 6.968 ( -2.116 -5.841 -1.605) 6.417 7.060 ( 5.669 -8.333 0.122) 10.079 7.158 ( 5.143 -6.837 0.169) 8.557 7.631 ( -0.296 4.435 -0.619) 4.488 7.672 ( -0.811 5.705 0.191) 5.766 8.334 ( -13.204 9.577 0.128) 16.312 8.580 ( -10.339 11.420 0.275) 15.408 8.961 ( 14.778 5.993 -0.045) 15.947 9.359 ( -2.481 -2.404 0.025) 3.455 9.455 ( -2.330 0.275 -0.147) 2.351 9.686 ( 6.227 -6.056 -0.110) 8.687 14.718 ( 10.082 -1.884 0.390) 10.264 14.766 ( 10.018 -2.775 -0.402) 10.403 ======================= Grid point 217 (101/256) ======================= q-point: ( 0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 6.042 10.561 -0.857) 12.197 2.637 ( 10.830 15.433 0.258) 18.855 2.734 ( 14.174 -1.946 0.280) 14.309 2.810 ( 20.059 3.226 -1.533) 20.375 3.011 ( 24.290 1.296 1.149) 24.352 3.116 ( 18.039 4.888 -0.395) 18.694 4.207 ( 3.810 14.296 -0.913) 14.823 4.313 ( 1.066 11.685 1.440) 11.821 6.592 ( 9.958 21.925 0.262) 24.082 6.773 ( -0.498 -1.250 1.009) 1.682 6.828 ( 6.997 18.660 -0.282) 19.931 6.917 ( -2.552 -5.541 -1.568) 6.299 7.190 ( 6.731 -8.845 0.436) 11.123 7.283 ( 6.841 -6.887 -0.127) 9.709 7.622 ( -0.473 4.771 -0.508) 4.821 7.654 ( -0.922 6.114 0.164) 6.185 8.096 ( -10.393 10.003 0.183) 14.426 8.339 ( -12.609 8.578 0.132) 15.250 9.246 ( 13.511 5.751 -0.057) 14.684 9.311 ( -2.289 2.338 0.099) 3.273 9.390 ( -3.970 0.814 -0.122) 4.054 9.801 ( 4.734 -5.927 -0.148) 7.587 14.987 ( 16.004 -1.892 0.424) 16.121 15.032 ( 15.955 -2.886 -0.431) 16.220 ======================= Grid point 218 (102/256) ======================= q-point: ( 0.30 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 7.280 8.811 -0.552) 11.443 2.735 ( 0.610 0.261 0.173) 0.686 2.966 ( 12.909 11.661 -0.340) 17.399 3.149 ( 12.217 8.527 -0.349) 14.902 3.537 ( 24.341 1.825 0.920) 24.426 3.563 ( 23.714 0.864 -0.749) 23.741 4.289 ( 4.412 13.827 -0.401) 14.519 4.346 ( 1.905 12.654 0.765) 12.820 6.740 ( 0.049 -1.581 0.246) 1.601 6.800 ( 6.532 11.797 0.571) 13.497 6.866 ( -0.383 -0.225 -1.096) 1.183 6.989 ( 7.780 21.077 -0.192) 22.467 7.303 ( 4.075 -8.612 0.527) 9.542 7.399 ( 4.105 -5.517 -0.305) 6.884 7.612 ( -0.254 5.448 -0.323) 5.463 7.646 ( 0.255 6.019 0.164) 6.026 7.935 ( -5.600 10.156 0.089) 11.598 8.122 ( -8.703 7.506 0.000) 11.492 9.264 ( -2.343 3.707 0.082) 4.386 9.305 ( -4.187 0.418 -0.057) 4.208 9.492 ( 10.961 5.505 -0.089) 12.266 9.863 ( 1.515 -3.950 -0.154) 4.233 15.313 ( 15.654 -1.909 0.354) 15.773 15.355 ( 15.643 -3.024 -0.352) 15.937 ======================= Grid point 219 (103/256) ======================= q-point: ( 0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 6.670 5.959 -0.271) 8.949 2.717 ( -2.184 0.844 -0.038) 2.341 3.198 ( 9.737 11.744 -0.196) 15.256 3.314 ( 4.568 9.218 -0.202) 10.290 3.921 ( 13.416 2.639 0.020) 13.673 3.941 ( 13.440 1.547 -0.123) 13.529 4.365 ( 2.873 13.244 -0.383) 13.557 4.387 ( 1.966 12.728 0.641) 12.895 6.734 ( -0.041 -4.374 0.463) 4.398 6.791 ( -2.238 -5.384 -1.305) 5.975 6.994 ( 7.399 16.712 0.620) 18.287 7.103 ( 3.005 18.938 -0.096) 19.175 7.356 ( 1.852 -4.674 0.458) 5.048 7.430 ( -0.605 -0.853 -0.239) 1.073 7.615 ( 0.637 6.070 -0.145) 6.106 7.651 ( -0.292 5.501 0.064) 5.509 7.886 ( 0.528 7.822 -0.136) 7.840 7.999 ( -4.118 6.127 -0.066) 7.383 9.218 ( -2.181 2.700 -0.002) 3.471 9.240 ( -2.098 1.198 0.007) 2.416 9.678 ( 7.766 3.898 -0.091) 8.690 9.861 ( -1.608 -1.229 -0.139) 2.029 15.570 ( 9.435 -1.936 0.166) 9.633 15.612 ( 9.597 -3.126 -0.153) 10.094 ======================= Grid point 220 (104/256) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -0.825 3.286 -0.040) 3.389 2.659 ( 0.811 2.951 -0.235) 3.070 3.323 ( -0.828 10.334 0.153) 10.368 3.333 ( 0.837 10.413 -0.516) 10.460 4.054 ( -0.131 3.112 -0.181) 3.120 4.076 ( 0.106 2.547 -0.046) 2.550 4.390 ( -0.135 12.597 -0.544) 12.610 4.415 ( 0.092 12.452 0.786) 12.477 6.732 ( -0.781 -4.506 -0.130) 4.575 6.767 ( 0.822 -5.485 -0.692) 5.589 7.095 ( -3.017 15.417 0.371) 15.714 7.108 ( 3.148 15.716 0.314) 16.031 7.388 ( -1.765 0.933 0.139) 2.001 7.407 ( 1.696 0.794 -0.016) 1.873 7.631 ( 0.385 6.030 0.071) 6.043 7.636 ( -0.576 6.217 -0.207) 6.247 7.922 ( 1.173 5.562 -0.081) 5.685 7.937 ( -1.156 5.401 -0.238) 5.528 9.194 ( 0.047 1.921 0.008) 1.922 9.219 ( -0.046 1.534 -0.019) 1.535 9.796 ( -0.440 1.592 -0.074) 1.653 9.804 ( 0.498 1.584 -0.135) 1.666 15.665 ( -0.169 -1.952 -0.005) 1.959 15.712 ( 0.175 -3.157 0.026) 3.162 ======================= Grid point 221 (105/256) ======================= q-point: (-0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.597 6.198 -0.388) 9.060 2.718 ( 2.013 0.350 -0.002) 2.043 3.195 ( -9.668 11.413 -0.311) 14.960 3.315 ( -4.589 9.332 -0.129) 10.400 3.913 ( -13.937 2.313 -0.200) 14.129 3.949 ( -12.835 1.904 0.072) 12.975 4.362 ( -2.265 12.861 -0.481) 13.068 4.389 ( -2.727 13.266 0.696) 13.561 6.720 ( -0.047 -4.270 -0.183) 4.275 6.801 ( 2.051 -4.722 -0.795) 5.209 6.988 ( -7.044 15.744 0.408) 17.252 7.119 ( -2.903 19.451 0.401) 19.670 7.342 ( -1.965 -5.056 0.006) 5.424 7.444 ( 0.783 -0.357 0.218) 0.887 7.615 ( -0.649 6.290 -0.169) 6.325 7.643 ( -0.003 5.518 -0.183) 5.522 7.889 ( -0.756 7.383 -0.034) 7.422 7.995 ( 4.321 6.166 -0.204) 7.532 9.219 ( 2.127 2.720 0.038) 3.453 9.238 ( 2.166 1.077 -0.030) 2.419 9.678 ( -7.714 3.762 -0.097) 8.583 9.862 ( 1.647 -1.126 -0.098) 1.997 15.564 ( -9.674 -1.927 -0.040) 9.865 15.619 ( -9.347 -3.127 0.063) 9.857 ======================= Grid point 222 (106/256) ======================= q-point: (-0.30 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -7.205 8.884 -0.694) 11.460 2.731 ( -1.049 0.020 0.027) 1.049 2.963 ( -12.879 11.068 -0.463) 16.987 3.150 ( -12.030 8.470 -0.275) 14.715 3.518 ( -24.894 1.705 0.037) 24.952 3.584 ( -22.908 1.005 0.209) 22.931 4.310 ( -2.795 13.301 -0.842) 13.618 4.322 ( -3.644 13.576 1.117) 14.101 6.729 ( 0.478 -2.522 -0.130) 2.570 6.773 ( -7.083 13.025 -0.453) 14.833 6.892 ( 0.272 -0.253 -0.063) 0.377 7.007 ( -7.545 20.902 0.344) 22.225 7.289 ( -4.126 -8.501 0.052) 9.450 7.413 ( -4.308 -5.128 0.193) 6.701 7.614 ( 0.493 5.503 -0.352) 5.536 7.634 ( -0.200 6.185 -0.141) 6.190 7.933 ( 5.386 9.744 0.025) 11.134 8.120 ( 8.821 7.530 -0.035) 11.598 9.262 ( 2.243 3.568 0.043) 4.215 9.307 ( 4.292 0.433 -0.004) 4.314 9.492 ( -10.897 5.343 -0.074) 12.137 9.864 ( -1.514 -3.926 -0.120) 4.209 15.305 ( -15.715 -1.880 0.025) 15.827 15.364 ( -15.579 -3.039 -0.005) 15.873 ======================= Grid point 223 (107/256) ======================= q-point: (-0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -6.060 10.427 -1.101) 12.110 2.629 ( -10.620 15.311 0.002) 18.633 2.722 ( -12.771 -4.136 -0.388) 13.430 2.806 ( -23.636 5.290 -1.196) 24.250 3.012 ( -21.036 1.848 0.963) 21.139 3.135 ( -19.046 3.890 0.284) 19.441 4.235 ( -3.780 14.850 -0.981) 15.355 4.281 ( -1.172 11.606 1.425) 11.752 6.577 ( -9.763 21.692 -0.232) 23.789 6.759 ( 0.552 -0.988 0.297) 1.170 6.843 ( -6.674 17.677 0.343) 18.898 6.935 ( 1.941 -4.660 -0.850) 5.119 7.179 ( -6.438 -8.530 0.065) 10.688 7.290 ( -7.222 -6.442 0.133) 9.679 7.625 ( 0.627 4.822 -0.531) 4.892 7.646 ( 1.106 5.990 0.037) 6.091 8.092 ( 10.357 9.744 0.059) 14.220 8.340 ( 12.605 8.657 0.138) 15.292 9.244 ( -13.124 5.654 -0.099) 14.291 9.311 ( 1.952 2.182 0.121) 2.930 9.393 ( 3.983 0.837 -0.038) 4.070 9.801 ( -4.753 -6.034 -0.145) 7.682 14.980 ( -15.947 -1.850 0.122) 16.055 15.040 ( -16.018 -2.914 -0.112) 16.281 ======================= Grid point 224 (108/256) ======================= q-point: (-0.10 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -7.002 6.509 -2.181) 9.806 2.266 ( -21.318 3.711 -0.586) 21.647 2.335 ( -19.583 4.372 1.055) 20.093 2.447 ( -8.635 15.009 -0.211) 17.317 2.824 ( -3.901 -0.251 0.191) 3.914 2.871 ( -7.742 5.279 0.079) 9.371 4.170 ( -2.346 15.006 -1.289) 15.243 4.276 ( 0.008 10.680 1.921) 10.851 6.413 ( -6.140 23.820 -0.010) 24.598 6.688 ( -4.909 20.554 -0.205) 21.133 6.816 ( 1.319 -3.346 1.089) 3.758 6.967 ( 1.257 -5.884 -1.436) 6.186 7.063 ( -4.559 -8.021 0.042) 9.226 7.159 ( -5.456 -6.532 0.214) 8.514 7.633 ( 0.352 4.514 -0.610) 4.569 7.668 ( 0.963 5.560 0.130) 5.644 8.331 ( 13.246 9.485 0.028) 16.292 8.580 ( 10.279 11.469 0.292) 15.404 8.961 ( -14.738 5.871 -0.027) 15.864 9.359 ( 2.513 -2.318 0.034) 3.419 9.457 ( 2.281 0.250 -0.091) 2.296 9.686 ( -6.216 -6.260 -0.135) 8.823 14.714 ( -9.976 -1.852 0.220) 10.149 14.770 ( -10.137 -2.797 -0.221) 10.518 ======================= Grid point 225 (109/256) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.272 0.289 -1.784) 1.828 2.025 ( 0.822 -2.618 1.246) 3.014 2.407 ( -0.280 9.847 -0.851) 9.888 2.697 ( -0.441 13.056 -0.074) 13.064 2.705 ( 0.326 -5.027 0.161) 5.040 2.909 ( -0.028 3.460 0.233) 3.468 4.352 ( -0.308 6.772 -1.376) 6.918 4.419 ( 0.191 3.356 1.387) 3.636 6.722 ( 0.116 10.765 0.470) 10.775 6.795 ( -0.034 0.508 0.638) 0.816 6.855 ( 0.708 -4.392 -0.120) 4.450 6.912 ( -0.157 -3.661 -0.681) 3.727 6.954 ( -0.551 9.127 -0.578) 9.162 7.003 ( -0.175 -0.944 -0.173) 0.975 7.708 ( 0.065 2.916 -0.938) 3.064 7.749 ( 0.120 1.579 0.152) 1.591 8.783 ( 0.365 11.542 -0.004) 11.548 8.818 ( -0.328 4.904 0.633) 4.956 8.882 ( -0.105 4.736 0.405) 4.755 9.214 ( -0.044 -9.707 -0.066) 9.708 9.486 ( 0.016 0.606 -0.052) 0.609 9.543 ( 0.120 -2.430 -0.070) 2.434 14.588 ( 0.031 -0.581 0.226) 0.624 14.617 ( -0.050 -1.915 -0.166) 1.923 ======================= Grid point 226 (110/256) ======================= q-point: ( 0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 18.131 1.005 -1.459) 18.217 2.282 ( 21.150 -3.222 1.362) 21.437 2.478 ( 10.304 9.183 -1.015) 13.840 2.719 ( 3.798 0.308 0.322) 3.824 2.789 ( 7.559 8.700 -0.222) 11.528 2.984 ( 7.237 3.093 0.220) 7.873 4.361 ( 1.628 6.803 -1.119) 7.083 4.434 ( 0.966 3.335 1.145) 3.656 6.761 ( 0.352 3.238 0.087) 3.258 6.788 ( 2.959 7.004 1.137) 7.688 6.871 ( -2.106 -3.877 -0.877) 4.498 6.924 ( 4.793 -4.623 0.112) 6.660 7.007 ( 5.512 10.005 -0.408) 11.431 7.068 ( 5.860 -0.795 -0.586) 5.943 7.705 ( -0.145 2.965 -0.862) 3.091 7.745 ( -0.499 1.693 0.115) 1.769 8.517 ( -13.515 8.467 0.441) 15.955 8.704 ( -13.496 1.403 0.269) 13.572 9.092 ( 13.996 6.846 0.229) 15.582 9.307 ( 4.885 -3.139 0.091) 5.807 9.469 ( -1.549 1.191 -0.052) 1.955 9.578 ( 3.836 -4.584 -0.097) 5.978 14.692 ( 10.048 -0.647 0.280) 10.073 14.719 ( 9.969 -1.878 -0.223) 10.147 ======================= Grid point 227 (111/256) ======================= q-point: ( 0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 6.575 5.328 -0.952) 8.516 2.613 ( 7.217 -5.487 0.391) 9.074 2.904 ( 26.283 5.714 -0.912) 26.913 2.960 ( 16.323 11.326 0.451) 19.873 3.025 ( 22.407 0.496 0.157) 22.413 3.188 ( 13.571 1.431 0.122) 13.647 4.410 ( 3.368 6.485 -0.521) 7.326 4.466 ( 2.093 3.898 0.721) 4.483 6.733 ( -1.771 0.080 0.406) 1.818 6.819 ( -2.578 -3.094 -0.955) 4.139 6.911 ( 7.073 6.936 0.774) 9.936 7.038 ( 5.911 -5.334 0.233) 7.966 7.152 ( 8.700 10.390 -0.324) 13.556 7.211 ( 8.406 0.986 -0.741) 8.496 7.700 ( -0.129 3.017 -0.701) 3.100 7.734 ( -0.521 1.994 0.012) 2.061 8.278 ( -10.450 7.926 0.502) 13.125 8.434 ( -12.828 1.258 0.213) 12.891 9.316 ( 5.301 1.633 0.088) 5.547 9.344 ( -0.681 0.680 0.154) 0.974 9.458 ( 3.462 5.431 -0.019) 6.440 9.687 ( 6.207 -5.508 -0.155) 8.300 14.960 ( 15.958 -0.735 0.315) 15.978 14.984 ( 15.868 -1.866 -0.252) 15.980 ======================= Grid point 228 (112/256) ======================= q-point: ( 0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 5.482 4.913 -0.672) 7.392 2.688 ( 2.043 -3.464 0.105) 4.023 3.210 ( 11.897 10.640 -0.193) 15.962 3.302 ( 12.374 5.920 -0.335) 13.721 3.559 ( 25.327 0.432 0.618) 25.338 3.576 ( 23.367 0.029 -0.411) 23.370 4.485 ( 3.962 6.077 0.088) 7.255 4.517 ( 2.725 4.693 0.345) 5.438 6.701 ( -1.467 -0.310 0.362) 1.542 6.765 ( -2.627 -2.929 -0.880) 4.032 7.044 ( 5.590 3.124 0.586) 6.430 7.136 ( 3.474 -5.432 0.161) 6.450 7.330 ( 8.867 10.559 -0.194) 13.790 7.380 ( 8.308 4.024 -0.643) 9.253 7.700 ( 0.375 3.269 -0.500) 3.328 7.730 ( 0.191 2.272 -0.041) 2.280 8.112 ( -6.327 7.284 0.387) 9.656 8.221 ( -8.493 2.367 0.170) 8.818 9.296 ( -3.422 -0.426 0.017) 3.448 9.303 ( -3.010 0.390 0.060) 3.036 9.617 ( 8.863 6.024 0.013) 10.716 9.794 ( 4.258 -3.215 -0.152) 5.338 15.285 ( 15.607 -0.828 0.286) 15.631 15.305 ( 15.551 -1.869 -0.212) 15.664 ======================= Grid point 229 (113/256) ======================= q-point: ( 0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 4.199 3.173 -0.467) 5.284 2.710 ( 0.140 -1.209 -0.071) 1.219 3.413 ( 8.088 8.775 -0.226) 11.936 3.473 ( 5.334 5.888 -0.321) 7.952 3.958 ( 13.954 1.069 0.045) 13.994 3.962 ( 14.099 0.596 -0.121) 14.112 4.554 ( 2.610 5.787 0.212) 6.352 4.567 ( 2.009 5.282 0.419) 5.666 6.682 ( -0.509 -0.918 0.224) 1.073 6.715 ( -2.071 -2.375 -0.710) 3.230 7.128 ( 2.856 -0.731 0.341) 2.968 7.173 ( 0.400 -4.616 0.123) 4.635 7.484 ( 6.228 10.607 -0.080) 12.301 7.517 ( 5.013 7.561 -0.333) 9.078 7.712 ( 0.850 3.509 -0.297) 3.622 7.736 ( 0.129 2.583 -0.075) 2.587 8.031 ( -1.918 6.020 0.114) 6.319 8.096 ( -4.394 3.092 0.094) 5.374 9.230 ( -2.640 -0.343 -0.032) 2.662 9.246 ( -2.503 -0.525 0.040) 2.558 9.764 ( 5.725 4.021 -0.029) 6.996 9.849 ( 1.242 -0.483 -0.133) 1.339 15.542 ( 9.422 -0.872 0.162) 9.464 15.561 ( 9.518 -1.907 -0.074) 9.707 ======================= Grid point 230 (114/256) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 0.304 1.217 -0.338) 1.299 2.694 ( -0.420 0.791 -0.280) 0.939 3.506 ( -0.755 7.207 -0.125) 7.248 3.515 ( 0.738 6.916 -0.494) 6.973 4.096 ( -0.234 1.288 -0.258) 1.334 4.106 ( 0.191 0.743 0.054) 0.769 4.577 ( -0.232 5.925 -0.016) 5.929 4.593 ( 0.206 5.275 0.752) 5.332 6.677 ( -0.566 -1.223 -0.137) 1.354 6.692 ( 0.619 -2.099 -0.338) 2.214 7.163 ( -1.140 -2.955 0.079) 3.168 7.166 ( 1.011 -3.233 0.252) 3.396 7.559 ( -0.743 10.293 -0.024) 10.319 7.562 ( 1.170 9.837 -0.035) 9.907 7.726 ( 0.351 3.277 -0.073) 3.297 7.731 ( -0.399 3.110 -0.219) 3.143 8.028 ( 0.450 4.224 -0.011) 4.248 8.038 ( -0.687 3.842 -0.099) 3.904 9.203 ( 0.040 -0.338 -0.023) 0.341 9.218 ( -0.062 -1.010 -0.004) 1.011 9.838 ( -0.601 2.038 -0.051) 2.125 9.844 ( 0.630 1.807 -0.112) 1.917 15.637 ( -0.122 -0.821 0.041) 0.831 15.660 ( 0.121 -1.990 0.056) 1.994 ======================= Grid point 231 (115/256) ======================= q-point: (-0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -4.230 3.101 -0.532) 5.272 2.704 ( -0.319 -1.333 -0.254) 1.394 3.408 ( -8.054 8.837 -0.396) 11.963 3.475 ( -5.408 5.764 -0.269) 7.909 3.948 ( -14.354 1.263 -0.210) 14.411 3.970 ( -13.681 0.312 0.073) 13.685 4.550 ( -2.400 5.991 0.160) 6.456 4.574 ( -2.272 5.247 0.551) 5.744 6.673 ( 0.477 -0.530 -0.145) 0.728 6.723 ( 2.193 -2.705 -0.352) 3.500 7.123 ( -3.075 -0.308 0.178) 3.095 7.174 ( -0.534 -4.896 0.149) 4.928 7.488 ( -5.908 11.037 0.042) 12.519 7.529 ( -4.537 7.208 0.081) 8.517 7.714 ( -0.864 3.475 -0.267) 3.590 7.730 ( -0.265 2.759 -0.248) 2.783 8.027 ( 1.623 5.822 0.013) 6.044 8.092 ( 4.450 3.034 -0.060) 5.387 9.231 ( 2.654 -0.421 0.002) 2.688 9.244 ( 2.456 -0.458 -0.023) 2.498 9.762 ( -5.714 4.030 -0.075) 6.993 9.850 ( -1.232 -0.546 -0.084) 1.350 15.538 ( -9.592 -0.704 0.016) 9.618 15.566 ( -9.354 -2.075 0.085) 9.581 ======================= Grid point 232 (116/256) ======================= q-point: (-0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -5.494 4.744 -0.844) 7.308 2.677 ( -2.362 -3.594 -0.247) 4.308 3.204 ( -11.832 10.711 -0.379) 15.964 3.301 ( -12.359 5.731 -0.369) 13.628 3.546 ( -25.244 0.969 0.038) 25.262 3.590 ( -23.180 -0.635 0.199) 23.189 4.493 ( -3.080 5.709 0.323) 6.495 4.513 ( -3.648 5.355 0.257) 6.485 6.694 ( 1.494 0.052 0.031) 1.495 6.770 ( 2.615 -3.036 -0.601) 4.052 7.036 ( -5.816 3.344 0.293) 6.715 7.134 ( -3.656 -5.693 0.119) 6.767 7.340 ( -8.598 10.983 0.077) 13.948 7.398 ( -8.157 3.775 -0.009) 8.988 7.701 ( -0.215 3.143 -0.528) 3.194 7.721 ( -0.203 2.462 -0.256) 2.484 8.105 ( 6.205 7.231 0.184) 9.530 8.218 ( 8.603 2.240 0.093) 8.890 9.295 ( 3.211 -0.245 0.018) 3.220 9.303 ( 3.236 0.166 0.022) 3.240 9.615 ( -8.877 5.995 -0.040) 10.712 9.794 ( -4.305 -3.282 -0.133) 5.415 15.279 ( -15.648 -0.592 0.054) 15.659 15.312 ( -15.524 -2.103 0.042) 15.666 ======================= Grid point 233 (117/256) ======================= q-point: (-0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -6.781 5.031 -1.313) 8.545 2.589 ( -8.386 -5.396 -0.416) 9.981 2.914 ( -26.185 5.189 -0.694) 26.704 2.951 ( -14.702 12.378 0.285) 19.221 3.030 ( -21.772 0.143 0.320) 21.775 3.193 ( -14.192 0.933 0.281) 14.226 4.435 ( -3.008 5.603 -0.795) 6.409 4.446 ( -2.527 5.087 1.173) 5.800 6.729 ( 1.887 0.333 0.206) 1.928 6.817 ( 1.859 -1.590 -0.938) 2.620 6.905 ( -6.622 5.428 0.461) 8.575 7.035 ( -5.939 -5.536 0.167) 8.121 7.165 ( -8.564 10.580 0.016) 13.612 7.227 ( -8.545 1.158 -0.137) 8.624 7.702 ( 0.345 2.822 -0.751) 2.941 7.726 ( 0.631 2.107 -0.130) 2.203 8.272 ( 10.446 7.981 0.319) 13.150 8.434 ( 12.853 1.165 0.210) 12.907 9.318 ( -5.531 1.696 0.129) 5.787 9.342 ( 0.809 0.737 0.093) 1.098 9.457 ( -3.283 5.203 -0.047) 6.153 9.685 ( -6.310 -5.588 -0.212) 8.432 14.956 ( -15.923 -0.535 0.113) 15.933 14.989 ( -15.927 -2.062 -0.027) 16.060 ======================= Grid point 234 (118/256) ======================= q-point: (-0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -16.470 0.649 -2.021) 16.606 2.248 ( -20.579 -2.463 0.480) 20.732 2.496 ( -10.968 8.657 -0.354) 13.977 2.728 ( -4.400 1.885 0.585) 4.823 2.786 ( -7.493 7.082 -0.297) 10.315 2.984 ( -7.372 2.919 0.232) 7.933 4.379 ( -2.056 6.327 -1.238) 6.767 4.420 ( -0.713 4.003 1.396) 4.299 6.766 ( 0.100 4.099 0.256) 4.109 6.770 ( -2.778 6.601 0.370) 7.171 6.865 ( 0.723 -3.910 -0.880) 4.073 6.928 ( -3.773 -4.974 0.284) 6.250 7.020 ( -5.652 9.777 -0.170) 11.294 7.077 ( -6.181 -0.379 -0.203) 6.196 7.707 ( 0.305 2.823 -0.900) 2.979 7.740 ( 0.693 1.743 0.049) 1.877 8.513 ( 13.553 8.544 0.338) 16.025 8.705 ( 13.420 1.373 0.292) 13.494 9.092 ( -14.035 6.854 0.219) 15.620 9.308 ( -4.867 -3.136 0.131) 5.791 9.469 ( 1.541 1.063 -0.050) 1.873 9.575 ( -3.738 -4.634 -0.211) 5.957 14.690 ( -9.989 -0.538 0.171) 10.005 14.722 ( -10.062 -1.984 -0.100) 10.256 ======================= Grid point 235 (119/256) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.528 -1.640 -0.262) 1.742 1.981 ( 0.528 1.640 -0.262) 1.742 2.575 ( -0.232 -7.223 -0.252) 7.231 2.575 ( -0.232 7.223 -0.252) 7.231 2.892 ( 0.073 -5.350 0.096) 5.351 2.892 ( 0.073 5.350 0.096) 5.351 4.433 ( -0.070 -1.697 -0.116) 1.702 4.433 ( -0.070 1.697 -0.116) 1.702 6.799 ( -0.204 -1.429 0.209) 1.459 6.799 ( -0.204 1.429 0.209) 1.459 6.842 ( 0.419 -2.935 0.036) 2.965 6.842 ( 0.419 2.935 0.036) 2.965 7.038 ( -0.296 -1.169 -0.491) 1.303 7.038 ( -0.296 1.169 -0.491) 1.303 7.751 ( 0.112 -1.206 -0.422) 1.283 7.751 ( 0.112 1.206 -0.422) 1.283 8.899 ( -0.071 -2.336 0.601) 2.413 8.899 ( -0.071 2.336 0.601) 2.413 9.007 ( 0.010 -10.802 -0.034) 10.802 9.007 ( 0.010 10.802 -0.034) 10.802 9.505 ( 0.076 -1.373 -0.053) 1.376 9.505 ( 0.076 1.373 -0.053) 1.376 14.590 ( -0.012 -0.763 0.044) 0.764 14.590 ( -0.012 0.763 0.044) 0.764 ======================= Grid point 237 (120/256) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 19.890 -2.341 -0.115) 20.028 2.224 ( 19.890 2.341 -0.115) 20.028 2.630 ( 7.303 -6.136 -0.270) 9.543 2.630 ( 7.303 6.136 -0.270) 9.543 2.964 ( 6.878 -5.238 0.108) 8.647 2.964 ( 6.878 5.238 0.108) 8.647 4.445 ( 1.337 -1.850 -0.095) 2.285 4.445 ( 1.337 1.850 -0.095) 2.285 6.797 ( -1.080 -2.535 -0.258) 2.768 6.797 ( -1.080 2.535 -0.258) 2.768 6.870 ( 3.510 -1.264 0.592) 3.777 6.870 ( 3.510 1.264 0.592) 3.777 7.099 ( 6.083 -0.694 -0.649) 6.157 7.099 ( 6.083 0.694 -0.649) 6.157 7.748 ( -0.257 -1.201 -0.402) 1.292 7.748 ( -0.257 1.201 -0.402) 1.292 8.659 ( -14.059 -5.267 0.412) 15.019 8.659 ( -14.059 5.267 0.412) 15.019 9.220 ( 10.845 -5.568 0.172) 12.192 9.220 ( 10.845 5.568 0.172) 12.192 9.506 ( 0.515 -2.613 -0.046) 2.664 9.506 ( 0.515 2.613 -0.046) 2.664 14.693 ( 9.992 -0.688 0.042) 10.016 14.693 ( 9.992 0.688 0.042) 10.016 ======================= Grid point 239 (121/256) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 7.458 -4.742 -0.292) 8.843 2.511 ( 7.458 4.742 -0.292) 8.843 2.988 ( 27.013 -2.781 -0.135) 27.156 2.988 ( 27.013 2.781 -0.135) 27.156 3.150 ( 11.647 -5.503 0.131) 12.882 3.150 ( 11.647 5.503 0.131) 12.882 4.487 ( 2.820 -1.469 0.054) 3.180 4.487 ( 2.820 1.469 0.054) 3.180 6.761 ( -2.090 -2.382 -0.253) 3.178 6.761 ( -2.090 2.382 -0.253) 3.178 6.969 ( 5.464 -1.738 0.489) 5.754 6.969 ( 5.464 1.738 0.489) 5.754 7.254 ( 9.224 -0.233 -0.606) 9.247 7.254 ( 9.224 0.233 -0.606) 9.247 7.741 ( -0.212 -1.032 -0.389) 1.123 7.741 ( -0.212 1.032 -0.389) 1.123 8.402 ( -11.513 -4.189 0.424) 12.259 8.402 ( -11.513 4.189 0.424) 12.259 9.339 ( 0.462 -0.844 0.109) 0.968 9.339 ( 0.462 0.844 0.109) 0.968 9.575 ( 6.883 -5.802 -0.044) 9.002 9.575 ( 6.883 5.802 -0.044) 9.002 14.959 ( 15.887 -0.600 0.045) 15.899 14.959 ( 15.887 0.600 0.045) 15.899 ======================= Grid point 241 (122/256) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 4.039 -3.843 -0.288) 5.582 2.614 ( 4.039 3.843 -0.288) 5.582 3.348 ( 10.845 -2.294 -0.275) 11.088 3.348 ( 10.845 2.294 -0.275) 11.088 3.565 ( 25.306 -0.545 0.124) 25.312 3.565 ( 25.306 0.545 0.124) 25.312 4.552 ( 3.441 -0.874 0.249) 3.559 4.552 ( 3.441 0.874 0.249) 3.559 6.719 ( -2.032 -1.724 -0.216) 2.673 6.719 ( -2.032 1.724 -0.216) 2.673 7.065 ( 3.706 -1.473 0.284) 3.998 7.065 ( 3.706 1.473 0.284) 3.998 7.441 ( 9.286 -0.394 -0.446) 9.305 7.441 ( 9.286 0.394 -0.446) 9.305 7.742 ( 0.448 -0.895 -0.333) 1.054 7.742 ( 0.448 0.895 -0.333) 1.054 8.216 ( -7.319 -2.852 0.358) 7.863 8.216 ( -7.319 2.852 0.358) 7.863 9.297 ( -3.438 -0.514 0.027) 3.477 9.297 ( -3.438 0.514 0.027) 3.477 9.721 ( 6.779 -4.309 -0.040) 8.032 9.721 ( 6.779 4.309 -0.040) 8.032 15.281 ( 15.552 -0.511 0.051) 15.561 15.281 ( 15.552 0.511 0.051) 15.561 ======================= Grid point 243 (123/256) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 2.256 -2.062 -0.303) 3.072 2.677 ( 2.256 2.062 -0.303) 3.072 3.521 ( 6.376 -1.567 -0.319) 6.573 3.521 ( 6.376 1.567 -0.319) 6.573 3.967 ( 14.250 -0.021 -0.030) 14.250 3.967 ( 14.250 0.021 -0.030) 14.250 4.613 ( 2.364 -0.347 0.411) 2.424 4.613 ( 2.364 0.347 0.411) 2.424 6.684 ( -1.303 -0.886 -0.195) 1.588 6.684 ( -1.303 0.886 -0.195) 1.588 7.113 ( 1.309 -0.788 0.141) 1.535 7.113 ( 1.309 0.788 0.141) 1.535 7.600 ( 6.284 -0.561 -0.235) 6.314 7.600 ( 6.284 0.561 -0.235) 6.314 7.754 ( 0.633 -0.650 -0.241) 0.939 7.754 ( 0.633 0.650 -0.241) 0.939 8.111 ( -3.467 -1.735 0.176) 3.880 8.111 ( -3.467 1.735 0.176) 3.880 9.231 ( -2.805 -0.555 -0.007) 2.859 9.231 ( -2.805 0.555 -0.007) 2.859 9.826 ( 3.632 -2.060 -0.059) 4.177 9.826 ( 3.632 2.060 -0.059) 4.177 15.537 ( 9.452 -0.485 0.058) 9.465 15.537 ( 9.452 0.485 0.058) 9.465 ======================= Grid point 245 (124/256) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -0.078 -0.268 -0.369) 0.463 2.698 ( -0.078 0.268 -0.369) 0.463 3.585 ( -0.009 -0.265 -0.369) 0.455 3.585 ( -0.009 0.265 -0.369) 0.455 4.110 ( -0.036 -0.262 -0.108) 0.286 4.110 ( -0.036 0.262 -0.108) 0.286 4.639 ( -0.004 -0.446 0.495) 0.666 4.639 ( -0.004 0.446 0.495) 0.666 6.670 ( 0.026 -0.355 -0.186) 0.402 6.670 ( 0.026 0.355 -0.186) 0.402 7.125 ( -0.022 -0.060 0.096) 0.115 7.125 ( -0.022 0.060 0.096) 0.115 7.669 ( 0.222 -0.032 -0.062) 0.233 7.669 ( 0.222 0.032 -0.062) 0.233 7.760 ( 0.016 -0.167 -0.166) 0.236 7.760 ( 0.016 0.167 -0.166) 0.236 8.075 ( -0.180 -0.267 -0.023) 0.323 8.075 ( -0.180 0.267 -0.023) 0.323 9.201 ( -0.008 -0.385 -0.019) 0.385 9.201 ( -0.008 0.385 -0.019) 0.385 9.862 ( 0.004 -0.142 -0.068) 0.157 9.862 ( 0.004 0.142 -0.068) 0.157 15.634 ( -0.003 -0.575 0.063) 0.578 15.634 ( -0.003 0.575 0.063) 0.578 ======================= Grid point 247 (125/256) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -2.389 -1.894 -0.460) 3.084 2.672 ( -2.389 1.894 -0.460) 3.084 3.519 ( -6.393 -1.754 -0.388) 6.641 3.519 ( -6.393 1.754 -0.388) 6.641 3.966 ( -14.270 -0.588 -0.080) 14.282 3.966 ( -14.270 0.588 -0.080) 14.282 4.615 ( -2.375 -0.716 0.481) 2.527 4.615 ( -2.375 0.716 0.481) 2.527 6.684 ( 1.356 -1.298 -0.191) 1.886 6.684 ( 1.356 1.298 -0.191) 1.886 7.113 ( -1.410 -0.835 0.117) 1.643 7.113 ( -1.410 0.835 0.117) 1.643 7.608 ( -5.911 -0.685 0.028) 5.951 7.608 ( -5.911 0.685 0.028) 5.951 7.753 ( -0.697 -0.396 -0.289) 0.853 7.753 ( -0.697 0.396 -0.289) 0.853 8.106 ( 3.327 -1.707 0.006) 3.740 8.106 ( 3.327 1.707 0.006) 3.740 9.230 ( 2.785 -0.485 -0.021) 2.827 9.230 ( 2.785 0.485 -0.021) 2.827 9.825 ( -3.639 -2.152 -0.068) 4.228 9.825 ( -3.639 2.152 -0.068) 4.228 15.538 ( -9.458 -0.719 0.064) 9.486 15.538 ( -9.458 0.719 0.064) 9.486 ======================= Grid point 249 (126/256) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -4.206 -3.631 -0.597) 5.589 2.604 ( -4.206 3.631 -0.597) 5.589 3.344 ( -10.838 -2.349 -0.405) 11.097 3.344 ( -10.838 2.349 -0.405) 11.097 3.565 ( -25.148 -1.296 0.110) 25.182 3.565 ( -25.148 1.296 0.110) 25.182 4.555 ( -3.457 -0.685 0.373) 3.544 4.555 ( -3.457 0.685 0.373) 3.544 6.719 ( 2.092 -2.096 -0.209) 2.969 6.719 ( 2.092 2.096 -0.209) 2.969 7.061 ( -3.930 -1.579 0.174) 4.239 7.061 ( -3.930 1.579 0.174) 4.239 7.454 ( -9.075 -0.520 -0.019) 9.090 7.454 ( -9.075 0.520 -0.019) 9.090 7.739 ( -0.405 -0.596 -0.445) 0.847 7.739 ( -0.405 0.596 -0.445) 0.847 8.211 ( 7.338 -2.984 0.189) 7.923 8.211 ( 7.338 2.984 0.189) 7.923 9.297 ( 3.440 -0.470 0.003) 3.472 9.297 ( 3.440 0.470 0.003) 3.472 9.720 ( -6.824 -4.383 -0.073) 8.111 9.720 ( -6.824 4.383 -0.073) 8.111 15.282 ( -15.562 -0.826 0.063) 15.584 15.282 ( -15.562 0.826 0.063) 15.584 ======================= Grid point 251 (127/256) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -8.019 -4.375 -0.878) 9.177 2.492 ( -8.019 4.375 -0.878) 9.177 2.995 ( -26.051 -2.701 0.046) 26.191 2.995 ( -26.051 2.701 0.046) 26.191 3.146 ( -11.844 -5.879 0.048) 13.222 3.146 ( -11.844 5.879 0.048) 13.222 4.491 ( -2.869 -0.365 0.196) 2.899 4.491 ( -2.869 0.365 0.196) 2.899 6.762 ( 2.188 -2.606 -0.236) 3.411 6.762 ( 2.188 2.606 -0.236) 3.411 6.962 ( -5.714 -1.978 0.253) 6.052 6.962 ( -5.714 1.978 0.253) 6.052 7.268 ( -9.172 -0.183 -0.127) 9.175 7.268 ( -9.172 0.183 -0.127) 9.175 7.738 ( 0.365 -0.721 -0.499) 0.950 7.738 ( 0.365 0.721 -0.499) 0.950 8.399 ( 11.540 -4.364 0.326) 12.342 8.399 ( 11.540 4.364 0.326) 12.342 9.339 ( -0.397 -0.731 0.114) 0.840 9.339 ( -0.397 0.731 0.114) 0.840 9.572 ( -6.971 -5.809 -0.133) 9.075 9.572 ( -6.971 5.809 -0.133) 9.075 14.959 ( -15.903 -0.857 0.057) 15.926 14.959 ( -15.903 0.857 0.057) 15.926 ======================= Grid point 253 (128/256) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -18.856 -1.692 -0.738) 18.946 2.205 ( -18.856 1.692 -0.738) 18.946 2.642 ( -7.928 -5.974 0.093) 9.927 2.642 ( -7.928 5.974 0.093) 9.927 2.961 ( -6.790 -5.395 0.019) 8.673 2.961 ( -6.790 5.395 0.019) 8.673 4.448 ( -1.446 -0.982 0.003) 1.748 4.448 ( -1.446 0.982 0.003) 1.748 6.800 ( 1.389 -2.565 -0.186) 2.923 6.800 ( 1.389 2.565 -0.186) 2.923 6.861 ( -3.761 -2.035 0.277) 4.285 6.861 ( -3.761 2.035 0.277) 4.285 7.110 ( -6.288 -0.596 -0.268) 6.322 7.110 ( -6.288 0.596 -0.268) 6.322 7.746 ( 0.460 -0.989 -0.470) 1.188 7.746 ( 0.460 0.989 -0.470) 1.188 8.658 ( 14.039 -5.387 0.381) 15.042 8.658 ( 14.039 5.387 0.381) 15.042 9.221 ( -10.947 -5.627 0.186) 12.309 9.221 ( -10.947 5.627 0.186) 12.309 9.504 ( -0.373 -2.495 -0.130) 2.526 9.504 ( -0.373 2.495 -0.130) 2.526 14.693 ( -10.014 -0.825 0.050) 10.048 14.693 ( -10.014 0.825 0.050) 10.048 ======================= Grid point 315 (129/256) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 4.432 0.000 5.536) 7.091 0.417 ( 0.938 0.000 6.977) 7.040 0.722 ( -1.909 0.000 12.342) 12.489 1.959 ( -0.801 0.000 -3.220) 3.318 2.296 ( -0.170 0.000 -1.266) 1.277 2.491 ( -0.103 0.000 6.021) 6.021 2.680 ( -0.035 0.000 -3.382) 3.382 3.397 ( 0.010 0.000 0.932) 0.932 3.502 ( 0.015 0.000 -2.845) 2.845 3.566 ( 0.006 0.000 -0.583) 0.583 6.326 ( 0.063 0.000 -0.169) 0.180 6.424 ( -0.025 0.000 0.325) 0.326 6.757 ( -0.050 0.000 0.342) 0.346 6.803 ( -0.024 0.000 -0.543) 0.543 7.212 ( -0.553 0.000 1.016) 1.157 7.590 ( -0.929 0.000 -1.443) 1.716 7.629 ( 1.296 0.000 -1.560) 2.029 7.895 ( -0.385 0.000 1.731) 1.773 8.156 ( 1.004 0.000 0.442) 1.097 9.570 ( 0.406 0.000 -0.137) 0.429 9.804 ( 0.549 0.000 0.017) 0.549 10.280 ( -0.868 0.000 0.026) 0.868 14.907 ( -0.328 0.000 -0.326) 0.463 14.937 ( 0.631 0.000 -0.143) 0.647 ======================= Grid point 316 (130/256) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 17.863 0.000 3.501) 18.203 0.705 ( 2.678 0.000 11.597) 11.902 0.953 ( 37.168 0.000 0.084) 37.168 2.202 ( 22.010 0.000 -1.311) 22.049 2.261 ( -2.842 0.000 -0.946) 2.995 2.696 ( 17.333 0.000 5.031) 18.049 2.836 ( 15.881 0.000 -3.244) 16.209 3.488 ( -0.272 0.000 -2.533) 2.548 3.501 ( 9.710 0.000 0.801) 9.743 3.656 ( 8.728 0.000 -0.548) 8.746 6.326 ( -0.052 0.000 -0.185) 0.192 6.418 ( -0.666 0.000 0.290) 0.726 6.756 ( -0.169 0.000 0.338) 0.377 6.797 ( -0.357 0.000 -0.456) 0.579 7.275 ( 5.472 0.000 0.716) 5.518 7.563 ( -1.390 0.000 -0.515) 1.482 7.654 ( 2.431 0.000 -1.780) 3.013 7.884 ( -0.076 0.000 2.345) 2.346 8.406 ( 17.985 0.000 -4.630) 18.571 9.578 ( 0.526 0.000 -0.545) 0.757 9.636 ( -14.693 0.000 -0.207) 14.694 10.310 ( 2.499 0.000 1.626) 2.982 14.983 ( 7.936 0.000 0.002) 7.936 15.039 ( 9.907 0.000 0.124) 9.908 ======================= Grid point 317 (131/256) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 17.262 0.000 6.108) 18.311 1.042 ( 18.962 0.000 1.507) 19.021 1.643 ( 30.474 0.000 -0.687) 30.481 2.190 ( -3.989 0.000 -0.525) 4.023 2.658 ( 21.395 0.000 0.242) 21.397 3.093 ( 16.356 0.000 4.437) 16.947 3.229 ( 23.243 0.000 -2.946) 23.429 3.541 ( 9.486 0.000 -1.890) 9.673 3.752 ( 14.568 0.000 0.645) 14.582 3.881 ( 13.210 0.000 -0.495) 13.219 6.324 ( -0.123 0.000 -0.191) 0.227 6.399 ( -1.324 0.000 0.231) 1.344 6.753 ( -0.189 0.000 0.306) 0.360 6.787 ( -0.618 0.000 -0.335) 0.703 7.384 ( 4.260 0.000 0.246) 4.267 7.560 ( 1.711 0.000 0.281) 1.734 7.674 ( -0.518 0.000 -1.279) 1.380 7.941 ( 5.639 0.000 0.796) 5.695 8.713 ( 13.011 0.000 -3.191) 13.396 9.313 ( -16.412 0.000 -0.131) 16.413 9.602 ( 2.486 0.000 -0.999) 2.680 10.346 ( 0.159 0.000 1.576) 1.584 15.210 ( 14.302 0.000 0.038) 14.302 15.311 ( 16.519 0.000 -0.023) 16.519 ======================= Grid point 318 (132/256) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 22.931 0.000 1.798) 23.002 1.395 ( 16.070 0.000 0.638) 16.083 2.103 ( -4.726 0.000 -0.121) 4.728 2.106 ( 15.404 0.000 -0.863) 15.428 3.016 ( 14.666 0.000 0.553) 14.676 3.243 ( 2.308 0.000 2.104) 3.123 3.717 ( 23.745 0.000 -0.381) 23.748 3.870 ( 19.365 0.000 -0.703) 19.378 4.045 ( 13.972 0.000 0.494) 13.980 4.140 ( 12.196 0.000 -0.400) 12.202 6.321 ( -0.092 0.000 -0.196) 0.217 6.369 ( -1.637 0.000 0.192) 1.648 6.750 ( -0.194 0.000 0.234) 0.304 6.772 ( -0.723 0.000 -0.211) 0.753 7.426 ( 0.571 0.000 -0.271) 0.632 7.585 ( -1.747 0.000 0.854) 1.945 7.698 ( 5.624 0.000 -1.278) 5.767 8.070 ( 5.842 0.000 -0.383) 5.855 8.892 ( 5.459 0.000 -0.771) 5.513 9.024 ( -11.870 0.000 0.091) 11.870 9.685 ( 6.331 0.000 -1.146) 6.434 10.315 ( -3.634 0.000 0.851) 3.732 15.511 ( 15.006 0.000 -0.086) 15.007 15.646 ( 16.141 0.000 -0.149) 16.141 ======================= Grid point 319 (133/256) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 12.121 0.000 0.204) 12.123 1.799 ( 21.050 0.000 -0.677) 21.060 1.997 ( -6.133 0.000 0.240) 6.138 2.232 ( -2.130 0.000 -0.310) 2.152 3.242 ( 7.876 0.000 0.679) 7.905 3.293 ( 2.304 0.000 1.853) 2.957 4.096 ( 13.502 0.000 0.312) 13.505 4.187 ( 11.609 0.000 -0.250) 11.612 4.279 ( 8.912 0.000 0.304) 8.918 4.333 ( 6.724 0.000 -0.233) 6.728 6.321 ( 0.145 0.000 -0.184) 0.234 6.339 ( -1.361 0.000 0.172) 1.372 6.747 ( -0.116 0.000 0.106) 0.157 6.759 ( -0.535 0.000 -0.087) 0.542 7.430 ( 0.207 0.000 0.019) 0.208 7.536 ( -2.407 0.000 -0.544) 2.468 7.842 ( 8.262 0.000 -0.686) 8.291 8.116 ( -1.850 0.000 -0.765) 2.001 8.875 ( -2.479 0.000 0.507) 2.530 8.940 ( -0.457 0.000 0.115) 0.471 9.840 ( 9.125 0.000 -0.730) 9.154 10.208 ( -7.110 0.000 0.123) 7.111 15.764 ( 9.634 0.000 -0.109) 9.634 15.908 ( 9.499 0.000 -0.207) 9.501 ======================= Grid point 320 (134/256) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -7.782 0.000 1.029) 7.850 1.882 ( 7.541 0.000 -0.515) 7.559 2.058 ( -13.775 0.000 0.200) 13.777 2.152 ( 13.405 0.000 -1.427) 13.481 3.315 ( -1.338 0.000 1.542) 2.041 3.333 ( 1.281 0.000 0.899) 1.565 4.233 ( 0.130 0.000 0.242) 0.275 4.306 ( 0.062 0.000 -0.001) 0.062 4.377 ( 0.018 0.000 0.107) 0.108 4.394 ( -0.034 0.000 -0.039) 0.052 6.319 ( -0.700 0.000 0.190) 0.726 6.328 ( 0.632 0.000 -0.173) 0.655 6.746 ( 0.012 0.000 -0.042) 0.043 6.754 ( 0.089 0.000 0.012) 0.089 7.442 ( 1.110 0.000 0.197) 1.127 7.499 ( -0.941 0.000 -1.019) 1.387 7.999 ( 2.552 0.000 -0.946) 2.721 8.013 ( -2.652 0.000 -0.425) 2.686 8.892 ( 2.406 0.000 0.607) 2.482 8.902 ( -2.358 0.000 0.267) 2.373 10.024 ( 7.525 0.000 -0.470) 7.540 10.043 ( -7.636 0.000 -0.102) 7.637 15.866 ( 0.304 0.000 -0.203) 0.366 16.001 ( -0.336 0.000 -0.100) 0.351 ======================= Grid point 321 (135/256) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -12.629 0.000 1.196) 12.685 1.707 ( -20.787 0.000 2.015) 20.885 2.022 ( 6.092 0.000 -0.510) 6.113 2.299 ( 0.362 0.000 -2.183) 2.213 3.228 ( -7.801 0.000 1.136) 7.883 3.322 ( -1.682 0.000 0.923) 1.919 4.106 ( -12.643 0.000 -0.182) 12.644 4.184 ( -12.312 0.000 -0.008) 12.312 4.278 ( -9.106 0.000 0.325) 9.112 4.333 ( -6.574 0.000 -0.242) 6.579 6.312 ( -0.080 0.000 0.124) 0.148 6.346 ( 1.191 0.000 -0.057) 1.193 6.748 ( 0.126 0.000 0.044) 0.134 6.762 ( 0.689 0.000 -0.142) 0.704 7.464 ( 0.640 0.000 -1.513) 1.643 7.506 ( 2.134 0.000 0.813) 2.284 7.844 ( -8.280 0.000 -0.717) 8.311 8.102 ( 1.364 0.000 -0.271) 1.391 8.887 ( 2.576 0.000 0.115) 2.579 8.935 ( 0.724 0.000 0.235) 0.761 9.847 ( -9.522 0.000 -0.982) 9.573 10.194 ( 7.275 0.000 0.610) 7.300 15.773 ( -9.286 0.000 -0.422) 9.295 15.897 ( -9.916 0.000 0.197) 9.918 ======================= Grid point 322 (136/256) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -22.489 0.000 3.976) 22.838 1.355 ( -16.791 0.000 1.888) 16.897 2.122 ( -17.862 0.000 -1.022) 17.891 2.126 ( 4.734 0.000 -0.823) 4.805 3.015 ( -13.859 0.000 0.545) 13.870 3.291 ( -2.439 0.000 0.732) 2.546 3.756 ( -21.154 0.000 -2.377) 21.287 3.837 ( -21.551 0.000 0.950) 21.571 4.042 ( -14.235 0.000 0.578) 14.246 4.143 ( -12.001 0.000 -0.451) 12.009 6.314 ( 0.242 0.000 0.043) 0.246 6.373 ( 1.445 0.000 0.073) 1.446 6.751 ( 0.140 0.000 0.168) 0.219 6.777 ( 0.854 0.000 -0.332) 0.916 7.463 ( -0.300 0.000 -2.049) 2.070 7.570 ( 3.129 0.000 1.864) 3.642 7.687 ( -6.797 0.000 -0.912) 6.858 8.047 ( -6.041 0.000 0.447) 6.057 8.899 ( -4.544 0.000 -1.170) 4.692 9.033 ( 11.575 0.000 -0.157) 11.576 9.678 ( -6.767 0.000 -0.967) 6.836 10.308 ( 3.867 0.000 1.124) 4.027 15.521 ( -15.143 0.000 -0.419) 15.149 15.631 ( -16.154 0.000 0.385) 16.159 ======================= Grid point 323 (137/256) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -17.006 0.000 7.314) 18.512 0.995 ( -19.769 0.000 3.036) 20.001 1.613 ( -32.277 0.000 0.624) 32.283 2.210 ( 3.920 0.000 -1.116) 4.076 2.681 ( -19.970 0.000 -0.652) 19.981 3.091 ( -20.688 0.000 3.293) 20.949 3.297 ( -24.426 0.000 -3.675) 24.700 3.516 ( -5.173 0.000 -1.246) 5.321 3.747 ( -14.779 0.000 0.775) 14.799 3.884 ( -13.076 0.000 -0.566) 13.088 6.320 ( 0.290 0.000 -0.047) 0.294 6.400 ( 1.173 0.000 0.200) 1.190 6.754 ( 0.102 0.000 0.266) 0.285 6.792 ( 0.682 0.000 -0.481) 0.834 7.416 ( -4.886 0.000 -0.780) 4.948 7.567 ( -1.723 0.000 -0.209) 1.735 7.649 ( 1.402 0.000 -0.283) 1.431 7.920 ( -5.502 0.000 1.630) 5.739 8.733 ( -11.787 0.000 -4.427) 12.591 9.313 ( 15.802 0.000 -0.022) 15.802 9.585 ( -2.498 0.000 -0.491) 2.545 10.350 ( -0.007 0.000 1.639) 1.639 15.213 ( -14.688 0.000 0.074) 14.688 15.298 ( -16.394 0.000 0.360) 16.398 ======================= Grid point 324 (138/256) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -18.230 0.000 5.156) 18.945 0.691 ( -6.084 0.000 11.132) 12.686 0.904 ( -36.334 0.000 2.622) 36.428 2.237 ( -22.105 0.000 -2.770) 22.278 2.273 ( 2.613 0.000 -1.307) 2.922 2.677 ( -18.188 0.000 4.796) 18.810 2.858 ( -16.616 0.000 -2.919) 16.871 3.496 ( -9.788 0.000 0.912) 9.830 3.497 ( 0.984 0.000 -2.825) 2.992 3.658 ( -8.679 0.000 -0.598) 8.699 6.324 ( 0.196 0.000 -0.123) 0.231 6.418 ( 0.582 0.000 0.295) 0.652 6.756 ( 0.071 0.000 0.322) 0.330 6.801 ( 0.343 0.000 -0.556) 0.653 7.292 ( -6.368 0.000 0.221) 6.372 7.576 ( 2.335 0.000 -1.154) 2.604 7.634 ( -2.284 0.000 -1.069) 2.522 7.876 ( 0.215 0.000 2.706) 2.715 8.410 ( -18.474 0.000 -5.697) 19.333 9.564 ( 0.042 0.000 -0.054) 0.068 9.626 ( 14.555 0.000 0.138) 14.556 10.324 ( -2.556 0.000 1.399) 2.914 14.984 ( -7.612 0.000 0.258) 7.616 15.027 ( -10.000 0.000 0.457) 10.011 ======================= Grid point 325 (139/256) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 2.268 14.688 3.393) 15.244 0.772 ( -1.414 8.040 9.943) 12.865 1.085 ( 0.338 43.780 2.005) 43.827 1.932 ( -0.663 -2.016 -2.744) 3.469 2.388 ( 0.074 -8.081 3.550) 8.827 2.516 ( -0.575 6.648 -1.327) 6.803 2.552 ( 0.269 7.211 -0.411) 7.227 3.471 ( 0.105 -2.814 -2.550) 3.799 3.817 ( 0.097 25.473 -0.039) 25.473 3.831 ( -0.186 31.984 0.061) 31.985 6.535 ( 0.097 18.897 0.770) 18.913 6.782 ( -0.063 10.553 -2.140) 10.768 6.927 ( -0.001 12.455 1.934) 12.605 7.201 ( 0.538 33.868 -14.954) 37.026 7.244 ( -0.947 3.006 1.025) 3.315 7.568 ( -0.383 -2.489 -1.450) 2.906 7.653 ( 0.647 7.200 -3.714) 8.127 7.856 ( -0.588 -2.098 -0.828) 2.331 8.143 ( 0.959 -1.167 0.382) 1.558 9.555 ( 0.363 -1.399 -0.136) 1.452 9.787 ( 0.590 -1.694 0.008) 1.794 10.188 ( -0.849 -7.848 1.154) 7.978 14.869 ( -0.070 -3.331 0.161) 3.335 14.907 ( 0.260 -2.307 0.280) 2.339 ======================= Grid point 326 (140/256) ======================= q-point: ( 0.10 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.961 7.330 8.988) 11.763 0.907 ( 25.399 10.102 1.274) 27.364 1.263 ( 18.029 34.754 0.560) 39.156 2.165 ( 20.551 -2.765 -0.862) 20.754 2.502 ( -2.080 21.465 -0.507) 21.571 2.589 ( 18.053 -7.817 2.482) 19.828 2.722 ( 17.316 -5.708 -0.698) 18.246 3.453 ( -0.627 -3.066 -2.299) 3.883 3.913 ( 8.961 26.282 0.028) 27.767 3.918 ( 8.575 30.393 -0.025) 31.579 6.530 ( -0.808 18.426 0.570) 18.453 6.762 ( -1.831 14.375 -2.505) 14.707 6.906 ( -2.858 13.228 1.325) 13.598 6.995 ( -9.945 23.952 -4.957) 26.404 7.324 ( 4.731 4.623 -0.474) 6.632 7.546 ( -1.890 -0.558 -0.190) 1.979 7.628 ( 1.922 -2.143 -1.769) 3.379 7.832 ( -0.103 -4.898 2.044) 5.308 8.421 ( 18.341 2.021 -5.075) 19.137 9.560 ( 0.307 -1.658 -0.473) 1.751 9.615 ( -14.555 -2.035 -0.182) 14.697 10.247 ( 4.052 -5.631 1.655) 7.132 14.954 ( 8.512 -2.554 0.177) 8.888 15.015 ( 10.290 -2.150 0.103) 10.513 ======================= Grid point 327 (141/256) ======================= q-point: ( 0.20 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 16.224 5.085 4.831) 17.676 1.319 ( 17.050 19.761 1.137) 26.124 1.749 ( 26.302 13.797 -0.823) 29.712 2.428 ( -2.780 19.720 0.032) 19.915 2.601 ( 19.090 -2.408 0.123) 19.242 3.029 ( 18.718 -4.196 4.052) 19.606 3.127 ( 23.374 -5.623 -2.610) 24.182 3.500 ( 9.223 -3.724 -1.680) 10.087 4.138 ( 13.036 30.592 0.339) 33.255 4.146 ( 13.434 24.297 -0.315) 27.766 6.509 ( -1.275 17.034 0.224) 17.083 6.670 ( -6.011 21.841 -1.790) 22.724 6.836 ( -2.015 8.438 0.283) 8.680 6.895 ( -2.340 9.914 0.243) 10.190 7.395 ( 1.676 -0.333 -0.575) 1.803 7.556 ( 2.595 0.177 0.973) 2.777 7.647 ( 0.112 -2.135 -1.184) 2.444 7.895 ( 6.228 -4.436 0.565) 7.667 8.722 ( 12.413 1.217 -3.011) 12.831 9.300 ( -15.894 -1.253 -0.140) 15.944 9.581 ( 2.303 -2.040 -0.882) 3.201 10.304 ( 0.821 -3.989 1.391) 4.303 15.192 ( 14.658 -1.756 0.037) 14.763 15.291 ( 16.592 -1.914 -0.056) 16.702 ======================= Grid point 328 (142/256) ======================= q-point: ( 0.30 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 21.785 2.865 1.427) 22.018 1.629 ( 13.982 19.560 0.685) 24.053 2.171 ( 14.689 7.756 -0.870) 16.634 2.355 ( -4.025 21.543 -0.041) 21.916 2.942 ( 14.528 -4.771 0.417) 15.297 3.183 ( 2.068 -3.997 1.844) 4.863 3.640 ( 24.706 -4.089 -0.405) 25.045 3.824 ( 19.042 -3.683 -0.511) 19.402 4.400 ( 12.484 28.252 0.265) 30.888 4.413 ( 12.721 24.563 -0.131) 27.662 6.485 ( -1.118 15.279 -0.018) 15.320 6.562 ( -4.373 17.381 -0.363) 17.927 6.817 ( -0.515 6.391 0.190) 6.414 6.857 ( -1.659 7.773 0.134) 7.950 7.400 ( -0.283 -2.892 -0.530) 2.954 7.555 ( -2.799 -3.121 0.405) 4.212 7.717 ( 6.881 2.089 -0.602) 7.216 8.035 ( 6.513 -3.376 -0.451) 7.350 8.890 ( 4.977 0.122 -0.699) 5.027 9.019 ( -11.534 -0.249 0.074) 11.537 9.662 ( 6.274 -2.256 -1.038) 6.748 10.281 ( -3.323 -3.223 0.757) 4.691 15.497 ( 15.136 -1.359 -0.084) 15.197 15.627 ( 16.143 -1.893 -0.150) 16.254 ======================= Grid point 329 (143/256) ======================= q-point: ( 0.40 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 18.140 1.668 -0.348) 18.220 1.869 ( 9.688 16.665 0.384) 19.280 2.273 ( -3.094 21.037 0.485) 21.269 2.303 ( -1.230 8.332 -0.840) 8.464 3.169 ( 8.062 -4.801 0.476) 9.395 3.229 ( 2.315 -4.237 1.489) 5.052 4.032 ( 14.036 -3.259 0.281) 14.412 4.133 ( 11.016 -3.376 -0.260) 11.524 4.605 ( 7.538 26.258 0.135) 27.319 4.622 ( 7.722 24.841 0.134) 26.014 6.468 ( -0.401 13.877 -0.128) 13.884 6.494 ( -2.471 14.379 0.051) 14.590 6.810 ( -0.203 6.062 0.154) 6.068 6.830 ( -1.016 6.671 -0.005) 6.748 7.395 ( -0.012 -3.509 -0.060) 3.509 7.498 ( -2.501 -3.717 -0.652) 4.527 7.866 ( 7.830 2.067 -0.512) 8.114 8.101 ( -0.622 -1.672 -0.732) 1.929 8.872 ( -2.787 -0.012 0.451) 2.823 8.930 ( -0.625 -0.639 0.120) 0.902 9.817 ( 9.082 -2.302 -0.661) 9.393 10.179 ( -6.929 -2.796 0.102) 7.473 15.751 ( 9.637 -1.260 -0.108) 9.720 15.889 ( 9.529 -1.868 -0.194) 9.712 ======================= Grid point 330 (144/256) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -2.722 7.790 0.480) 8.266 1.979 ( -0.965 8.746 0.095) 8.799 2.221 ( -2.276 16.135 -0.158) 16.296 2.283 ( 5.525 13.938 -0.838) 15.017 3.250 ( -1.297 -4.270 1.040) 4.583 3.262 ( 1.328 -4.658 0.736) 4.899 4.181 ( 0.648 -2.999 0.244) 3.078 4.237 ( -0.646 -3.192 -0.043) 3.257 4.684 ( 0.119 25.424 0.030) 25.425 4.701 ( -0.019 24.897 0.253) 24.899 6.462 ( -0.838 13.375 0.082) 13.401 6.472 ( 0.818 13.499 -0.089) 13.524 6.811 ( 0.270 6.051 0.143) 6.059 6.817 ( -0.262 6.145 -0.057) 6.151 7.405 ( 1.071 -3.650 0.166) 3.808 7.461 ( -0.883 -3.793 -1.089) 4.044 8.008 ( 2.457 0.680 -0.837) 2.683 8.020 ( -2.610 0.519 -0.368) 2.687 8.882 ( 1.914 -0.698 0.563) 2.113 8.894 ( -1.814 -0.488 0.225) 1.892 9.999 ( 7.421 -2.427 -0.429) 7.820 10.017 ( -7.515 -2.509 -0.101) 7.924 15.853 ( 0.267 -1.308 -0.194) 1.349 15.983 ( -0.292 -1.786 -0.097) 1.812 ======================= Grid point 331 (145/256) ======================= q-point: (-0.40 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -18.890 2.940 1.528) 19.178 1.847 ( -10.324 17.702 1.001) 20.517 2.268 ( 4.325 20.054 -0.077) 20.515 2.366 ( -0.308 7.723 -1.971) 7.976 3.161 ( -7.996 -4.337 0.753) 9.128 3.253 ( -1.588 -4.821 0.734) 5.128 4.056 ( -12.926 -3.203 -0.865) 13.345 4.110 ( -12.128 -3.370 0.848) 12.617 4.611 ( -7.273 25.457 -0.078) 26.476 4.621 ( -7.913 25.501 0.198) 26.701 6.458 ( 0.372 13.799 0.173) 13.805 6.505 ( 2.590 14.604 -0.247) 14.834 6.815 ( 0.154 6.397 0.018) 6.399 6.826 ( 1.019 6.058 0.115) 6.145 7.428 ( 0.824 -3.569 -1.447) 3.938 7.469 ( 2.247 -3.657 0.577) 4.331 7.866 ( -7.915 1.990 -0.515) 8.177 8.087 ( 0.215 -1.618 -0.265) 1.654 8.884 ( 2.847 -0.017 0.054) 2.847 8.926 ( 0.957 -0.544 0.216) 1.122 9.823 ( -9.456 -2.306 -0.910) 9.775 10.166 ( 7.104 -2.705 0.555) 7.622 15.759 ( -9.323 -1.371 -0.383) 9.431 15.879 ( -9.893 -1.721 0.158) 10.043 ======================= Grid point 332 (146/256) ======================= q-point: (-0.30 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -21.488 4.345 3.056) 22.135 1.602 ( -14.485 20.556 1.525) 25.193 2.185 ( -16.719 7.721 -1.162) 18.452 2.362 ( 4.080 20.387 -0.188) 20.792 2.942 ( -14.015 -4.572 0.369) 14.747 3.225 ( -2.041 -4.471 0.580) 4.949 3.687 ( -22.865 -4.040 -2.938) 23.405 3.778 ( -20.374 -3.680 1.889) 20.790 4.406 ( -12.944 28.609 0.193) 31.402 4.412 ( -12.305 24.175 -0.232) 27.127 6.474 ( 1.084 15.074 0.252) 15.115 6.577 ( 4.983 18.086 -0.798) 18.777 6.820 ( 0.351 6.560 0.089) 6.570 6.853 ( 1.627 7.072 0.271) 7.262 7.435 ( 0.491 -3.073 -2.196) 3.809 7.537 ( 3.734 -3.308 1.458) 5.197 7.709 ( -7.672 2.195 -0.277) 7.984 8.015 ( -6.628 -3.170 0.289) 7.353 8.898 ( -4.009 0.249 -1.106) 4.166 9.029 ( 11.214 -0.260 -0.184) 11.218 9.656 ( -6.696 -2.177 -0.878) 7.096 10.276 ( 3.575 -3.147 0.989) 4.864 15.506 ( -15.234 -1.460 -0.387) 15.309 15.613 ( -16.147 -1.702 0.317) 16.239 ======================= Grid point 333 (147/256) ======================= q-point: (-0.20 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -15.925 6.265 5.605) 18.008 1.288 ( -17.711 20.535 2.131) 27.202 1.726 ( -27.495 14.603 0.207) 31.133 2.434 ( 2.479 18.339 -0.174) 18.507 2.619 ( -17.728 -2.416 -0.581) 17.901 3.025 ( -22.039 -4.434 2.693) 22.641 3.195 ( -24.820 -5.317 -3.157) 25.578 3.473 ( -5.444 -3.838 -0.887) 6.719 4.137 ( -13.408 29.235 0.187) 32.163 4.152 ( -13.089 25.736 -0.317) 28.875 6.499 ( 1.263 16.769 0.424) 16.822 6.698 ( 7.149 22.698 -2.763) 23.957 6.836 ( 1.821 8.325 0.282) 8.527 6.894 ( 2.697 9.877 0.408) 10.247 7.425 ( -1.781 -0.592 -1.786) 2.591 7.565 ( -3.563 0.773 0.983) 3.776 7.616 ( 1.162 -2.957 -0.327) 3.194 7.877 ( -6.029 -4.185 1.292) 7.452 8.745 ( -11.066 1.487 -4.232) 11.941 9.299 ( 15.308 -1.239 -0.044) 15.358 9.565 ( -2.314 -1.895 -0.413) 3.019 10.308 ( -0.677 -3.964 1.389) 4.254 15.195 ( -14.999 -1.757 0.014) 15.102 15.280 ( -16.428 -1.726 0.278) 16.521 ======================= Grid point 334 (148/256) ======================= q-point: (-0.10 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -3.795 8.056 8.658) 12.420 0.865 ( -26.026 10.250 2.756) 28.107 1.239 ( -17.181 36.280 1.634) 40.176 2.191 ( -20.277 -3.325 -1.927) 20.638 2.511 ( 1.596 20.771 -0.809) 20.848 2.578 ( -18.318 -6.892 2.662) 19.752 2.736 ( -18.596 -6.226 -0.813) 19.628 3.458 ( 1.379 -3.178 -2.422) 4.227 3.909 ( -8.790 28.162 0.056) 29.502 3.925 ( -8.832 28.553 -0.178) 29.888 6.523 ( 0.914 18.263 0.664) 18.298 6.778 ( 1.408 12.770 -2.616) 13.111 6.900 ( 2.420 11.946 0.963) 12.226 7.025 ( 12.328 26.630 -5.934) 29.939 7.343 ( -5.001 4.882 -1.259) 7.101 7.562 ( 3.698 0.115 -0.737) 3.772 7.604 ( -2.290 -2.881 -1.063) 3.830 7.827 ( 0.397 -4.569 2.278) 5.120 8.434 ( -18.519 2.835 -6.470) 19.821 9.548 ( 0.236 -1.531 -0.005) 1.549 9.605 ( 14.349 -1.999 0.136) 14.488 10.259 ( -4.262 -5.765 1.455) 7.315 14.954 ( -8.557 -2.637 0.412) 8.963 15.007 ( -10.154 -1.874 0.276) 10.329 ======================= Grid point 335 (149/256) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.964 23.075 1.494) 23.143 1.046 ( -0.884 18.253 5.060) 18.962 1.914 ( -0.605 1.724 -2.240) 2.891 1.945 ( 0.357 38.921 -0.309) 38.924 2.273 ( 0.157 -2.345 1.723) 2.914 2.420 ( -0.261 -4.343 0.225) 4.357 3.048 ( 0.012 27.717 0.390) 27.720 3.413 ( 0.026 -2.022 -1.724) 2.657 4.404 ( 0.078 33.289 -0.049) 33.289 4.594 ( -0.131 40.178 0.061) 40.178 6.989 ( 0.118 21.674 0.775) 21.688 7.013 ( -0.096 14.040 -0.650) 14.055 7.176 ( -0.008 9.963 4.533) 10.946 7.311 ( -0.414 3.010 1.177) 3.258 7.379 ( 0.238 -2.330 -4.406) 4.989 7.481 ( 0.279 -5.863 -1.276) 6.007 7.705 ( 0.057 -3.058 3.081) 4.341 8.125 ( -0.908 0.043 0.214) 0.934 8.166 ( 0.975 22.337 -15.058) 26.956 9.521 ( 0.249 -1.811 -0.227) 1.842 9.737 ( 0.650 -3.319 -0.017) 3.382 10.013 ( -0.821 -8.953 1.128) 9.061 14.798 ( 0.007 -3.583 0.358) 3.601 14.852 ( 0.074 -3.144 -0.066) 3.145 ======================= Grid point 336 (150/256) ======================= q-point: ( 0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.582 19.117 4.435) 19.689 1.158 ( 22.349 16.308 0.488) 27.670 2.027 ( 8.290 36.658 -0.489) 37.586 2.139 ( 19.246 1.384 -0.749) 19.310 2.479 ( 19.330 -2.647 0.973) 19.535 2.624 ( 18.881 -3.688 0.330) 19.240 3.028 ( -1.967 28.132 0.393) 28.204 3.390 ( -1.296 -2.139 -1.514) 2.924 4.498 ( 8.981 33.112 -0.165) 34.309 4.665 ( 6.986 39.465 0.170) 40.079 6.973 ( -1.904 22.470 0.564) 22.557 7.004 ( -0.350 12.133 -0.385) 12.144 7.155 ( -2.804 10.442 4.038) 11.541 7.325 ( -0.342 6.467 0.012) 6.476 7.356 ( -1.278 -2.155 -4.377) 5.043 7.535 ( 4.229 -3.155 -1.143) 5.398 7.683 ( -4.230 0.304 2.162) 4.761 7.751 ( -11.785 6.287 -3.141) 13.722 8.514 ( 17.038 7.430 -5.573) 19.405 9.518 ( -0.404 -2.332 -0.362) 2.394 9.559 ( -13.793 -3.406 -0.184) 14.208 10.112 ( 6.146 -7.405 1.182) 9.696 14.894 ( 9.336 -3.213 0.202) 9.875 14.960 ( 10.485 -3.206 -0.095) 10.965 ======================= Grid point 337 (151/256) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 12.975 17.096 2.551) 21.614 1.623 ( 22.064 12.896 0.382) 25.559 2.243 ( 12.733 29.999 -0.915) 32.602 2.525 ( 17.718 0.491 0.470) 17.731 2.935 ( 11.564 10.604 0.108) 15.690 3.011 ( 8.958 13.312 3.252) 16.372 3.053 ( 22.731 0.825 -2.216) 22.853 3.416 ( 7.853 -3.557 -1.124) 8.694 4.728 ( 13.372 32.755 -0.221) 35.380 4.851 ( 11.007 37.914 0.267) 39.481 6.923 ( -3.056 20.920 0.200) 21.143 6.997 ( -0.390 11.671 0.043) 11.678 7.094 ( -4.173 11.562 2.675) 12.579 7.183 ( -10.698 18.948 -2.843) 21.944 7.331 ( -1.080 -5.382 -1.701) 5.746 7.550 ( -2.397 -0.261 0.382) 2.441 7.640 ( 3.560 1.265 0.245) 3.786 7.771 ( 7.557 -7.600 -0.084) 10.718 8.782 ( 10.750 5.147 -2.442) 12.166 9.270 ( -14.156 -1.479 -0.150) 14.234 9.526 ( 1.662 -3.252 -0.618) 3.704 10.198 ( 1.983 -6.229 0.945) 6.605 15.146 ( 15.263 -2.608 0.021) 15.484 15.238 ( 16.618 -3.239 -0.125) 16.931 ======================= Grid point 338 (152/256) ======================= q-point: ( 0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 18.986 13.030 0.875) 23.044 1.994 ( 14.908 14.839 0.522) 21.040 2.472 ( 8.962 20.819 -0.883) 22.683 2.769 ( 3.745 10.206 0.804) 10.901 2.983 ( 6.481 17.013 -0.628) 18.216 3.152 ( 2.310 2.446 1.314) 3.612 3.578 ( 25.306 -1.937 -0.270) 25.382 3.741 ( 19.766 -4.083 -0.275) 20.185 4.994 ( 12.711 32.615 -0.108) 35.005 5.073 ( 10.598 36.182 0.295) 37.703 6.862 ( -2.959 19.437 -0.009) 19.661 6.964 ( -7.902 19.389 -0.197) 20.938 6.988 ( -0.630 10.686 0.250) 10.708 7.047 ( -3.244 10.697 0.247) 11.181 7.307 ( -0.843 -5.911 -0.953) 6.046 7.476 ( -4.257 -3.525 0.098) 5.528 7.761 ( 7.197 1.087 0.045) 7.278 7.938 ( 7.915 -6.144 -0.639) 10.040 8.920 ( 3.584 3.529 -0.524) 5.057 9.024 ( -10.039 1.029 0.036) 10.092 9.600 ( 6.142 -3.753 -0.769) 7.239 10.193 ( -2.617 -5.372 0.528) 5.999 15.460 ( 15.370 -2.239 -0.076) 15.532 15.574 ( 16.120 -3.312 -0.144) 16.458 ======================= Grid point 339 (153/256) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 17.577 10.072 -0.147) 20.259 2.198 ( 4.534 14.065 0.478) 14.786 2.569 ( 2.204 17.507 -0.030) 17.645 2.741 ( -3.776 21.277 0.376) 21.613 3.149 ( 7.313 5.650 -0.212) 9.244 3.207 ( 2.918 4.085 0.490) 5.044 3.977 ( 14.144 -2.130 0.259) 14.306 4.064 ( 11.613 -3.269 -0.165) 12.066 5.205 ( 8.023 32.871 0.065) 33.836 5.245 ( 6.080 34.667 0.264) 35.197 6.813 ( -1.738 18.017 -0.120) 18.101 6.843 ( -4.112 18.051 -0.000) 18.513 6.975 ( -0.634 10.175 0.271) 10.198 7.000 ( -1.547 9.832 0.093) 9.953 7.296 ( -0.047 -5.751 -0.239) 5.756 7.400 ( -3.044 -5.182 -0.651) 6.045 7.900 ( 6.606 0.488 -0.248) 6.629 8.041 ( 2.015 -4.349 -0.670) 4.840 8.892 ( -3.014 2.488 0.305) 3.920 8.939 ( -1.127 2.223 0.099) 2.494 9.754 ( 8.995 -3.730 -0.489) 9.750 10.102 ( -6.431 -4.689 0.047) 7.959 15.716 ( 9.612 -2.176 -0.107) 9.856 15.837 ( 9.605 -3.289 -0.150) 10.153 ======================= Grid point 340 (154/256) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -9.354 10.295 0.379) 13.915 2.172 ( 8.248 10.154 -0.147) 13.082 2.624 ( 2.618 20.865 -0.039) 21.028 2.671 ( -1.616 21.062 0.469) 21.129 3.230 ( 0.227 4.236 0.093) 4.243 3.237 ( -0.185 4.397 -0.034) 4.401 4.123 ( 0.351 -2.519 0.253) 2.556 4.178 ( -0.327 -2.623 -0.045) 2.643 5.294 ( 0.089 33.742 0.167) 33.743 5.301 ( -0.068 33.353 0.196) 33.354 6.793 ( -0.512 17.479 -0.073) 17.487 6.804 ( 0.487 17.301 0.050) 17.308 6.967 ( -0.163 9.122 0.243) 9.126 6.986 ( -0.023 10.317 0.053) 10.317 7.308 ( 1.318 -5.251 0.077) 5.414 7.357 ( -1.053 -5.995 -1.081) 6.182 8.007 ( 2.322 -1.431 -0.573) 2.787 8.015 ( -2.543 -1.603 -0.290) 3.020 8.888 ( 0.973 1.961 0.366) 2.219 8.906 ( -0.781 2.377 0.152) 2.506 9.933 ( 7.043 -3.968 -0.331) 8.091 9.948 ( -7.090 -4.123 -0.094) 8.202 15.816 ( 0.163 -2.284 -0.166) 2.295 15.932 ( -0.170 -3.154 -0.084) 3.160 ======================= Grid point 341 (155/256) ======================= q-point: (-0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -17.499 10.998 1.092) 20.697 2.202 ( -5.827 15.035 0.401) 16.130 2.610 ( -1.937 17.339 -1.647) 17.524 2.730 ( 3.724 20.740 1.029) 21.097 3.151 ( -7.181 6.010 -0.261) 9.368 3.212 ( -2.295 2.854 0.321) 3.676 3.993 ( -13.213 -2.856 -0.379) 13.523 4.049 ( -12.544 -2.540 0.426) 12.806 5.206 ( -8.058 32.885 0.037) 33.858 5.247 ( -6.025 34.595 0.214) 35.116 6.805 ( 1.623 18.376 0.130) 18.448 6.851 ( 4.252 17.408 -0.239) 17.921 6.974 ( 0.769 8.404 0.378) 8.447 6.996 ( 1.087 11.349 0.150) 11.402 7.332 ( 0.707 -5.388 -1.827) 5.733 7.370 ( 3.011 -5.304 0.748) 6.145 7.899 ( -6.850 0.473 -0.203) 6.870 8.030 ( -2.220 -4.240 -0.281) 4.794 8.903 ( 3.017 2.373 -0.058) 3.839 8.938 ( 1.569 2.343 0.126) 2.823 9.761 ( -9.288 -3.752 -0.723) 10.043 10.091 ( 6.617 -4.528 0.409) 8.029 15.721 ( -9.411 -2.387 -0.267) 9.713 15.830 ( -9.815 -3.030 0.057) 10.272 ======================= Grid point 342 (156/256) ======================= q-point: (-0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -18.573 14.033 1.769) 23.346 1.984 ( -15.600 15.308 0.847) 21.873 2.493 ( -10.083 21.795 -1.557) 24.065 2.759 ( -3.620 10.737 1.212) 11.395 2.986 ( -6.605 16.078 -0.701) 17.396 3.177 ( -1.883 0.908 0.517) 2.153 3.619 ( -23.148 -2.601 -2.277) 23.405 3.702 ( -21.485 -3.393 1.645) 21.814 4.994 ( -12.774 32.486 -0.098) 34.907 5.077 ( -10.540 36.239 0.166) 37.741 6.852 ( 2.872 19.797 0.278) 20.006 6.968 ( 6.848 16.395 -0.263) 17.769 6.992 ( 0.788 9.514 0.072) 9.547 7.042 ( 4.425 13.466 0.355) 14.179 7.343 ( 1.024 -5.595 -2.501) 6.213 7.455 ( 4.762 -3.538 1.192) 6.051 7.752 ( -7.778 1.033 0.347) 7.854 7.922 ( -7.821 -5.823 -0.106) 9.751 8.931 ( -2.600 3.611 -0.951) 4.550 9.033 ( 9.727 0.940 -0.212) 9.775 9.596 ( -6.509 -3.611 -0.670) 7.474 10.189 ( 2.885 -5.273 0.674) 6.048 15.466 ( -15.412 -2.487 -0.256) 15.613 15.566 ( -16.098 -2.961 0.127) 16.369 ======================= Grid point 343 (157/256) ======================= q-point: (-0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -12.640 17.662 2.843) 21.904 1.601 ( -22.919 13.253 1.100) 26.498 2.244 ( -13.071 31.379 -0.813) 34.002 2.530 ( -17.053 0.469 0.309) 17.063 2.939 ( -11.021 11.390 0.093) 15.850 2.977 ( -13.369 9.318 1.381) 16.354 3.137 ( -23.155 2.126 -1.999) 23.338 3.388 ( -4.138 -3.394 -0.317) 5.361 4.726 ( -13.390 32.519 -0.158) 35.168 4.856 ( -11.025 38.068 0.087) 39.632 6.913 ( 3.033 21.311 0.502) 21.532 7.003 ( 0.454 10.973 -0.240) 10.985 7.066 ( 3.464 10.509 2.213) 11.284 7.221 ( 12.058 18.980 -2.517) 22.627 7.358 ( 1.143 -5.087 -2.957) 5.994 7.545 ( 3.133 -1.365 0.796) 3.509 7.616 ( -4.711 1.727 0.939) 5.105 7.761 ( -6.963 -7.017 0.436) 9.895 8.809 ( -9.401 5.116 -3.519) 11.266 9.270 ( 13.667 -1.452 -0.093) 13.745 9.515 ( -1.646 -2.982 -0.276) 3.417 10.203 ( -1.816 -6.225 0.845) 6.540 15.148 ( -15.468 -2.736 -0.024) 15.708 15.232 ( -16.451 -2.933 0.062) 16.710 ======================= Grid point 344 (158/256) ======================= q-point: (-0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -2.199 19.154 4.202) 19.732 1.128 ( -22.428 17.023 1.488) 28.196 2.024 ( -8.038 37.928 -0.309) 38.771 2.156 ( -19.003 0.588 -1.409) 19.065 2.472 ( -19.841 -2.846 1.267) 20.084 2.633 ( -19.605 -3.620 0.028) 19.936 3.028 ( 1.689 27.566 0.363) 27.620 3.394 ( 1.889 -2.150 -1.596) 3.277 4.496 ( -8.898 32.909 -0.098) 34.091 4.670 ( -7.158 39.598 0.031) 40.239 6.966 ( 1.968 22.454 0.719) 22.552 7.010 ( 0.348 12.055 -0.527) 12.071 7.135 ( 2.628 10.206 3.745) 11.184 7.341 ( -1.246 5.032 0.335) 5.195 7.374 ( 1.415 -1.920 -4.689) 5.260 7.529 ( -3.772 -3.571 -0.904) 5.272 7.661 ( 4.902 0.355 1.751) 5.217 7.774 ( 13.060 6.122 -2.666) 14.668 8.542 ( -16.113 7.714 -7.011) 19.191 9.509 ( 0.926 -2.092 -0.005) 2.288 9.551 ( 13.443 -3.280 0.037) 13.838 10.122 ( -6.294 -7.489 0.913) 9.825 14.893 ( -9.455 -3.229 0.284) 9.996 14.957 ( -10.311 -3.003 -0.029) 10.739 ======================= Grid point 345 (159/256) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.527 25.393 0.836) 25.413 1.444 ( -0.407 20.265 1.780) 20.347 1.941 ( -0.334 0.895 -2.753) 2.914 2.286 ( 0.665 0.567 3.493) 3.601 2.368 ( -0.217 2.603 -1.019) 2.804 2.607 ( -0.367 22.892 -2.385) 23.019 3.444 ( 0.104 8.653 0.231) 8.657 3.596 ( -0.039 24.857 0.952) 24.876 5.101 ( 0.172 35.195 0.031) 35.195 5.389 ( -0.185 38.152 -0.068) 38.153 7.138 ( -0.345 -4.759 1.919) 5.143 7.257 ( 0.463 -3.977 -2.056) 4.501 7.296 ( 0.753 10.449 -0.127) 10.477 7.320 ( -0.287 -3.814 0.535) 3.862 7.354 ( -0.217 -4.735 -0.593) 4.777 7.417 ( -0.149 7.233 1.688) 7.429 7.862 ( -0.060 20.644 1.666) 20.711 8.171 ( 0.244 5.087 0.049) 5.093 8.487 ( -0.138 10.539 -6.783) 12.534 9.490 ( 0.110 -1.160 -0.338) 1.213 9.655 ( 0.584 -4.903 -0.051) 4.938 9.843 ( -0.680 -7.885 0.450) 7.927 14.729 ( 0.036 -3.276 0.294) 3.289 14.785 ( -0.001 -3.453 -0.317) 3.467 ======================= Grid point 346 (160/256) ======================= q-point: ( 0.10 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 2.444 21.582 1.536) 21.775 1.547 ( 15.762 21.628 0.278) 26.764 2.174 ( 20.562 1.785 -1.368) 20.685 2.490 ( 17.140 3.674 1.826) 17.624 2.560 ( 19.611 -2.194 -0.521) 19.740 2.643 ( 4.242 20.447 -1.795) 20.959 3.436 ( -0.557 9.734 0.161) 9.752 3.581 ( -1.576 25.583 0.836) 25.645 5.190 ( 8.409 34.832 -0.117) 35.833 5.448 ( 5.954 37.692 0.091) 38.159 7.119 ( -1.902 -4.809 2.187) 5.615 7.214 ( -2.459 -4.237 -2.828) 5.656 7.290 ( -0.541 10.523 0.281) 10.541 7.386 ( 1.211 4.935 2.168) 5.525 7.403 ( 1.449 2.673 -0.333) 3.059 7.432 ( 7.575 -7.992 -0.565) 11.026 7.816 ( -4.870 19.267 1.428) 19.925 7.939 ( -15.629 9.352 -1.860) 18.308 8.684 ( 13.941 8.320 -3.434) 16.594 9.474 ( -2.833 -2.000 -0.242) 3.476 9.486 ( -10.464 -3.526 -0.239) 11.045 9.961 ( 7.086 -7.428 0.556) 10.280 14.830 ( 9.782 -3.083 0.191) 10.258 14.891 ( 10.390 -3.598 -0.264) 10.998 ======================= Grid point 347 (161/256) ======================= q-point: ( 0.20 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 9.965 20.806 0.906) 23.087 1.916 ( 19.704 16.643 0.104) 25.793 2.575 ( 17.803 4.450 0.118) 18.351 2.733 ( 4.737 14.006 -1.619) 14.873 2.954 ( 27.347 0.568 0.613) 27.359 3.037 ( 24.584 0.234 -0.141) 24.586 3.455 ( 4.032 11.394 -0.005) 12.087 3.549 ( -1.272 26.265 0.639) 26.303 5.407 ( 12.828 34.029 -0.199) 36.367 5.608 ( 9.560 36.666 0.230) 37.893 7.079 ( -2.533 -4.264 2.019) 5.355 7.159 ( -2.466 -4.287 -2.742) 5.654 7.278 ( -0.727 9.405 0.304) 9.438 7.341 ( -3.086 10.057 1.139) 10.582 7.493 ( 1.210 8.332 -0.598) 8.441 7.590 ( 6.087 -8.795 0.356) 10.702 7.660 ( -7.124 3.391 -0.758) 7.927 7.716 ( -4.060 16.717 -0.103) 17.203 8.923 ( 9.917 8.364 -1.464) 13.055 9.250 ( -10.849 -0.281 -0.116) 10.854 9.459 ( 0.328 -3.216 -0.340) 3.251 10.064 ( 2.869 -6.918 0.471) 7.504 15.092 ( 15.671 -2.755 0.051) 15.911 15.166 ( 16.475 -3.807 -0.185) 16.910 ======================= Grid point 348 (162/256) ======================= q-point: ( 0.30 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 14.799 17.126 0.351) 22.637 2.273 ( 15.003 14.229 0.191) 20.678 2.793 ( 1.877 7.770 -0.343) 8.001 2.866 ( 10.828 4.564 0.257) 11.754 3.351 ( 8.680 16.314 0.493) 18.486 3.412 ( 9.184 13.576 -0.984) 16.420 3.625 ( 14.878 12.469 0.217) 19.413 3.692 ( 18.449 1.102 0.200) 18.483 5.666 ( 12.594 33.458 -0.117) 35.750 5.802 ( 9.236 35.528 0.267) 36.710 7.034 ( -2.220 -3.126 1.147) 4.002 7.099 ( -3.054 -3.959 -1.690) 5.278 7.262 ( -1.073 8.120 0.367) 8.199 7.288 ( -2.229 11.704 0.501) 11.925 7.368 ( -7.402 17.319 -0.886) 18.855 7.507 ( -8.178 6.618 0.418) 10.529 7.727 ( 7.359 -4.496 0.224) 8.627 7.817 ( 7.967 -3.775 -0.921) 8.864 9.040 ( 1.879 7.995 -0.307) 8.218 9.071 ( -6.836 3.822 0.002) 7.832 9.520 ( 6.202 -3.977 -0.454) 7.381 10.075 ( -1.755 -6.101 0.260) 6.353 15.411 ( 15.512 -2.559 -0.050) 15.722 15.499 ( 16.044 -3.973 -0.119) 16.529 ======================= Grid point 349 (163/256) ======================= q-point: ( 0.40 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 14.574 12.940 -0.048) 19.489 2.451 ( 1.523 11.762 0.269) 11.863 2.839 ( 4.151 8.052 0.445) 9.070 2.995 ( 1.935 6.893 0.555) 7.181 3.464 ( 3.579 20.605 -0.594) 20.922 3.480 ( 2.400 22.603 -0.564) 22.737 3.959 ( 13.230 0.957 0.076) 13.265 4.016 ( 12.128 -1.007 0.180) 12.171 5.880 ( 8.438 33.464 0.045) 34.511 5.950 ( 5.018 34.589 0.225) 34.951 7.004 ( -0.794 -1.536 0.286) 1.753 7.032 ( -3.180 -2.327 -0.646) 3.993 7.232 ( -1.880 10.146 0.092) 10.319 7.253 ( -1.524 13.750 -0.159) 13.835 7.279 ( -1.309 11.848 0.111) 11.920 7.365 ( -5.607 3.636 -0.054) 6.683 7.861 ( 5.708 -4.249 -0.076) 7.116 7.935 ( 3.517 -5.521 -0.661) 6.579 8.980 ( -2.105 6.183 0.163) 6.534 9.032 ( -1.868 6.730 0.015) 6.984 9.678 ( 8.993 -3.455 -0.293) 9.639 10.001 ( -5.603 -5.106 -0.019) 7.581 15.668 ( 9.524 -2.584 -0.103) 9.869 15.762 ( 9.689 -3.978 -0.078) 10.474 ======================= Grid point 350 (164/256) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -9.598 10.886 0.428) 14.519 2.381 ( 9.363 10.260 -0.205) 13.892 2.937 ( 2.840 10.203 0.259) 10.594 2.971 ( -2.391 8.835 0.839) 9.191 3.494 ( -0.184 20.686 -0.738) 20.700 3.512 ( 0.073 21.451 -0.567) 21.458 4.092 ( -0.172 -0.308 0.065) 0.359 4.142 ( 0.169 -0.602 0.185) 0.652 5.984 ( 0.208 33.987 0.142) 33.988 5.986 ( -0.205 33.841 0.165) 33.842 6.982 ( -1.540 -1.917 0.127) 2.462 7.011 ( 1.536 0.116 -0.450) 1.605 7.208 ( -0.311 13.537 -0.164) 13.541 7.244 ( 0.669 14.470 0.329) 14.489 7.281 ( 1.385 5.485 0.026) 5.657 7.292 ( -1.871 2.834 -0.268) 3.407 7.939 ( 1.740 -4.939 -0.336) 5.248 7.947 ( -1.883 -4.840 -0.298) 5.202 8.974 ( 0.496 6.386 0.136) 6.406 9.000 ( -0.311 6.639 0.055) 6.646 9.851 ( 5.955 -3.889 -0.238) 7.117 9.863 ( -5.942 -4.079 -0.076) 7.208 15.765 ( 0.017 -2.724 -0.121) 2.727 15.861 ( -0.011 -3.844 -0.057) 3.845 ======================= Grid point 351 (165/256) ======================= q-point: (-0.40 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -14.315 13.654 0.675) 19.794 2.462 ( -2.773 11.713 -0.017) 12.036 2.875 ( -3.212 7.196 -0.934) 7.935 2.986 ( -1.532 7.165 1.067) 7.404 3.454 ( -3.562 20.742 -0.326) 21.049 3.479 ( -2.629 22.432 -0.520) 22.591 3.956 ( -13.127 -0.291 0.136) 13.131 4.020 ( -12.329 0.104 0.103) 12.330 5.880 ( -8.581 33.279 0.069) 34.368 5.952 ( -4.880 34.732 0.154) 35.073 6.975 ( 0.656 -2.851 0.578) 2.982 7.062 ( 3.535 -0.184 -0.916) 3.656 7.219 ( 1.239 13.803 0.289) 13.861 7.273 ( -0.038 4.838 -0.237) 4.843 7.280 ( 3.119 14.710 -0.429) 15.043 7.350 ( 5.650 4.885 0.540) 7.489 7.863 ( -5.989 -3.952 -0.089) 7.176 7.925 ( -3.459 -5.434 -0.372) 6.452 8.989 ( 2.147 5.984 -0.104) 6.358 9.032 ( 2.207 6.720 0.019) 7.074 9.684 ( -9.145 -3.529 -0.489) 9.815 9.994 ( 5.768 -4.891 0.210) 7.565 15.667 ( -9.512 -2.830 -0.102) 9.925 15.762 ( -9.683 -3.693 -0.060) 10.363 ======================= Grid point 352 (166/256) ======================= q-point: (-0.30 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -14.495 17.633 0.810) 22.840 2.266 ( -15.607 14.209 0.424) 21.111 2.824 ( -4.096 7.316 -1.339) 8.491 2.877 ( -8.530 5.024 -0.080) 9.900 3.343 ( -9.124 14.966 0.661) 17.541 3.412 ( -6.815 16.586 -0.889) 17.954 3.622 ( -16.496 5.928 0.238) 17.531 3.687 ( -18.754 5.351 0.441) 19.507 5.662 ( -12.771 33.212 0.020) 35.583 5.808 ( -9.079 35.704 0.059) 36.841 7.007 ( 2.233 -3.886 1.134) 4.623 7.130 ( 3.340 -2.261 -1.802) 4.418 7.251 ( 1.622 11.353 0.801) 11.496 7.281 ( 0.918 7.923 0.420) 7.987 7.387 ( 8.077 15.433 -1.442) 17.479 7.495 ( 8.193 7.339 0.958) 11.041 7.721 ( -7.985 -4.058 0.427) 8.967 7.808 ( -7.566 -3.433 -0.637) 8.333 9.050 ( -1.280 7.787 -0.654) 7.918 9.077 ( 6.760 3.646 -0.167) 7.682 9.519 ( -6.469 -3.829 -0.439) 7.530 10.074 ( 1.980 -6.009 0.326) 6.335 15.411 ( -15.555 -2.896 -0.026) 15.822 15.499 ( -15.980 -3.566 -0.110) 16.374 ======================= Grid point 353 (167/256) ======================= q-point: (-0.20 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -9.737 20.906 1.071) 23.087 1.901 ( -20.148 16.919 0.607) 26.317 2.582 ( -16.951 4.634 -0.235) 17.575 2.756 ( -5.976 14.277 -2.253) 15.640 2.943 ( -27.526 0.228 0.871) 27.541 3.062 ( -24.726 -0.468 -0.896) 24.747 3.436 ( -2.940 12.720 0.679) 13.073 3.545 ( 0.785 25.008 0.767) 25.032 5.401 ( -12.876 33.782 0.031) 36.153 5.617 ( -9.552 36.839 -0.060) 38.057 7.062 ( 2.773 -4.621 1.678) 5.644 7.180 ( 2.283 -2.896 -2.487) 4.448 7.275 ( 0.723 9.319 0.430) 9.357 7.319 ( 2.528 8.645 1.436) 9.121 7.518 ( -3.048 5.832 -0.952) 6.649 7.573 ( -4.096 -6.602 0.517) 7.787 7.662 ( 7.868 3.638 -0.548) 8.686 7.707 ( 3.877 17.081 0.206) 17.517 8.943 ( -9.167 7.754 -2.131) 12.194 9.251 ( 10.534 -0.237 -0.113) 10.537 9.454 ( -0.259 -2.920 -0.179) 2.937 10.068 ( -2.705 -6.981 0.352) 7.495 15.090 ( -15.747 -3.011 0.111) 16.032 15.167 ( -16.377 -3.457 -0.203) 16.739 ======================= Grid point 354 (168/256) ======================= q-point: (-0.10 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.529 21.370 1.451) 21.568 1.529 ( -15.648 22.074 0.850) 27.071 2.193 ( -20.301 1.868 -2.213) 20.506 2.466 ( -18.159 1.679 2.529) 18.411 2.551 ( -16.131 2.816 -0.390) 16.380 2.680 ( -7.501 17.537 -2.529) 19.241 3.430 ( 0.873 10.122 0.339) 10.165 3.578 ( 1.512 24.720 0.974) 24.785 5.184 ( -8.210 34.679 0.072) 35.638 5.455 ( -6.194 37.798 -0.126) 38.302 7.116 ( 1.971 -4.887 2.041) 5.651 7.216 ( 2.329 -3.495 -2.535) 4.906 7.286 ( 0.346 9.457 0.375) 9.471 7.364 ( 0.109 4.743 1.413) 4.950 7.405 ( -4.160 -1.561 0.752) 4.506 7.442 ( -5.770 -3.475 -0.756) 6.778 7.811 ( 4.670 20.044 1.469) 20.633 7.942 ( 15.790 8.736 -1.786) 18.134 8.704 ( -13.271 7.561 -4.115) 15.818 9.471 ( 3.730 -1.784 -0.000) 4.134 9.481 ( 9.601 -3.321 -0.203) 10.161 9.969 ( -7.107 -7.599 0.310) 10.409 14.828 ( -9.792 -3.190 0.254) 10.302 14.892 ( -10.334 -3.409 -0.290) 10.885 ======================= Grid point 355 (169/256) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.062 17.390 -0.215) 17.392 1.854 ( 0.552 19.984 1.185) 20.027 1.951 ( -0.431 3.023 -3.259) 4.466 2.237 ( 0.475 -3.080 2.071) 3.742 2.545 ( -0.149 11.772 0.165) 11.774 2.830 ( -0.328 2.129 -1.946) 2.903 3.761 ( -0.100 19.840 -0.052) 19.840 4.038 ( 0.118 18.445 1.714) 18.525 5.781 ( 0.224 31.962 0.077) 31.963 6.093 ( -0.206 31.427 -0.175) 31.428 6.994 ( -0.361 -7.607 2.026) 7.880 7.102 ( 0.809 -8.565 -2.076) 8.850 7.159 ( -0.278 -8.792 -0.604) 8.817 7.255 ( 0.083 -6.501 0.651) 6.534 7.524 ( -0.051 9.717 0.058) 9.717 7.541 ( 0.018 5.135 0.323) 5.145 8.327 ( 0.205 9.971 0.007) 9.973 8.329 ( -0.126 22.393 0.732) 22.405 8.635 ( -0.066 5.252 -2.046) 5.637 9.476 ( 0.006 -0.276 -0.290) 0.401 9.540 ( 0.257 -6.537 -0.079) 6.543 9.703 ( -0.288 -5.968 0.062) 5.976 14.668 ( 0.075 -2.748 0.385) 2.776 14.717 ( -0.064 -3.251 -0.460) 3.284 ======================= Grid point 356 (170/256) ======================= q-point: ( 0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 3.435 18.131 -0.208) 18.454 1.993 ( 11.607 22.082 0.328) 24.949 2.189 ( 22.896 0.376 -1.961) 22.983 2.478 ( 21.598 -3.509 1.317) 21.921 2.662 ( 11.547 9.878 0.093) 15.197 2.833 ( 1.015 1.741 -1.287) 2.391 3.775 ( 1.647 20.327 -0.028) 20.394 4.033 ( -0.836 18.923 1.323) 18.988 5.862 ( 7.576 31.483 -0.083) 32.382 6.145 ( 5.340 31.197 -0.004) 31.651 6.974 ( -1.885 -7.737 2.218) 8.267 7.065 ( -2.270 -7.973 -2.665) 8.708 7.242 ( 6.671 -9.588 -0.139) 11.681 7.312 ( 5.158 -6.684 0.457) 8.455 7.514 ( -0.874 9.768 0.000) 9.807 7.532 ( -0.983 5.445 0.292) 5.541 8.127 ( -13.724 10.516 -0.504) 17.297 8.261 ( -6.827 20.383 0.491) 21.501 8.831 ( 14.021 6.551 -1.097) 15.515 9.413 ( -8.337 -3.145 -0.091) 8.911 9.454 ( -2.139 -0.569 -0.225) 2.225 9.817 ( 7.074 -6.980 0.120) 9.939 14.772 ( 10.001 -2.643 0.298) 10.349 14.820 ( 10.190 -3.389 -0.376) 10.746 ======================= Grid point 357 (171/256) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 7.821 17.243 -0.221) 18.935 2.277 ( 15.894 18.749 -0.022) 24.579 2.667 ( 21.175 4.469 -0.622) 21.651 2.828 ( 2.153 -1.664 -1.257) 2.997 3.004 ( 23.273 4.489 0.808) 23.716 3.026 ( 27.154 -0.286 0.167) 27.156 3.830 ( 4.024 21.219 -0.122) 21.597 4.019 ( -0.626 19.924 0.797) 19.950 6.060 ( 11.795 30.320 -0.182) 32.533 6.290 ( 8.664 30.627 0.135) 31.829 6.938 ( -2.184 -7.753 2.124) 8.330 7.012 ( -2.419 -7.744 -2.604) 8.521 7.384 ( 6.816 -9.383 0.067) 11.597 7.442 ( 6.584 -7.012 0.254) 9.622 7.493 ( -0.566 9.312 -0.138) 9.330 7.511 ( -0.830 5.668 0.308) 5.737 7.868 ( -11.629 12.405 -0.521) 17.012 8.086 ( -9.892 16.814 0.179) 19.509 9.095 ( 11.660 8.312 -0.580) 14.331 9.265 ( -6.211 1.810 -0.008) 6.469 9.405 ( -1.925 -1.987 -0.128) 2.769 9.926 ( 3.631 -6.722 0.097) 7.640 15.039 ( 15.870 -2.483 0.144) 16.063 15.091 ( 16.243 -3.626 -0.224) 16.644 ======================= Grid point 358 (172/256) ======================= q-point: ( 0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 10.721 14.234 -0.181) 17.821 2.569 ( 11.468 14.461 0.071) 18.456 2.852 ( 2.491 0.715 -0.422) 2.625 2.983 ( 11.591 7.066 -0.044) 13.575 3.498 ( 23.090 2.286 -0.015) 23.203 3.542 ( 22.377 1.765 -0.026) 22.446 3.931 ( 6.029 19.691 -0.239) 20.594 4.025 ( 1.481 20.254 0.420) 20.312 6.301 ( 11.963 29.079 -0.167) 31.445 6.466 ( 8.391 29.930 0.164) 31.085 6.903 ( -1.655 -7.561 1.516) 7.887 6.957 ( -2.512 -7.585 -1.946) 8.224 7.448 ( -2.096 7.163 0.221) 7.466 7.468 ( 0.993 2.561 0.076) 2.747 7.499 ( -0.564 -2.853 0.055) 2.909 7.584 ( 2.149 -3.621 0.152) 4.214 7.701 ( -2.102 11.649 -0.322) 11.842 7.923 ( -5.101 11.247 -0.308) 12.353 9.166 ( -3.557 5.529 0.046) 6.574 9.215 ( -0.497 8.055 -0.149) 8.072 9.455 ( 7.925 -1.928 -0.200) 8.158 9.957 ( -0.540 -5.531 0.025) 5.558 15.361 ( 15.542 -2.413 -0.007) 15.728 15.420 ( 15.923 -3.818 -0.073) 16.374 ======================= Grid point 359 (173/256) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 10.531 10.211 -0.140) 14.669 2.649 ( -2.364 6.831 0.199) 7.231 2.981 ( 9.002 8.381 -0.036) 12.299 3.135 ( 3.626 7.901 0.099) 8.694 3.830 ( 9.432 8.553 -0.252) 12.735 3.849 ( 8.184 11.769 -0.363) 14.339 4.066 ( 7.026 10.860 -0.788) 12.958 4.100 ( 5.960 13.708 0.939) 14.977 6.510 ( 8.539 28.264 -0.100) 29.526 6.598 ( 4.287 29.116 0.104) 29.430 6.886 ( -0.285 -7.113 0.965) 7.184 6.905 ( -2.141 -7.220 -1.335) 7.648 7.401 ( -2.353 6.495 0.167) 6.910 7.443 ( -3.811 1.319 0.158) 4.036 7.475 ( 0.172 6.924 0.072) 6.927 7.530 ( -3.210 8.714 0.000) 9.286 7.781 ( 5.330 -0.801 -0.068) 5.390 7.886 ( -0.011 2.484 -0.546) 2.543 9.118 ( -1.268 6.738 0.085) 6.857 9.171 ( -2.554 5.875 -0.042) 6.407 9.635 ( 9.009 -0.313 -0.152) 9.015 9.909 ( -4.129 -3.764 -0.075) 5.588 15.616 ( 9.408 -2.474 -0.090) 9.728 15.682 ( 9.733 -3.869 0.010) 10.474 ======================= Grid point 360 (174/256) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -7.101 7.258 0.394) 10.162 2.558 ( 7.120 6.874 -0.275) 9.900 3.119 ( 2.022 9.437 -0.274) 9.655 3.131 ( -1.881 8.686 0.425) 8.897 3.903 ( -0.215 15.644 -0.827) 15.667 3.924 ( 0.218 15.371 0.107) 15.373 4.140 ( -0.542 6.956 -0.615) 7.004 4.186 ( 0.434 7.168 0.764) 7.221 6.618 ( -2.440 28.090 0.034) 28.196 6.622 ( 2.433 28.287 -0.049) 28.391 6.864 ( -1.454 -6.601 0.258) 6.764 6.903 ( 1.600 -6.836 -0.613) 7.047 7.373 ( -0.031 4.545 0.093) 4.546 7.398 ( -0.114 4.195 0.207) 4.201 7.486 ( -1.340 9.092 0.135) 9.191 7.488 ( 1.022 9.049 0.095) 9.107 7.859 ( 2.343 -1.053 -0.160) 2.573 7.869 ( -2.235 -1.009 -0.465) 2.496 9.111 ( 0.189 6.213 0.041) 6.216 9.139 ( -0.105 6.222 -0.016) 6.223 9.792 ( 2.830 -1.609 -0.168) 3.259 9.801 ( -2.773 -1.724 -0.076) 3.266 15.711 ( -0.112 -2.579 -0.063) 2.582 15.783 ( 0.123 -3.801 -0.016) 3.803 ======================= Grid point 361 (175/256) ======================= q-point: (-0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -10.349 10.703 0.205) 14.889 2.658 ( 1.673 6.690 -0.067) 6.897 2.992 ( -8.368 7.156 -0.466) 11.020 3.133 ( -3.509 8.229 0.238) 8.949 3.822 ( -9.338 9.890 -0.304) 13.606 3.855 ( -8.104 10.476 -0.136) 13.245 4.049 ( -6.810 12.943 -0.326) 14.629 4.113 ( -6.561 11.845 0.512) 13.550 6.504 ( -8.703 27.932 0.092) 29.256 6.603 ( -4.123 29.212 -0.084) 29.502 6.851 ( 0.169 -6.842 0.739) 6.884 6.943 ( 2.517 -7.303 -1.238) 7.823 7.403 ( 2.414 6.415 0.153) 6.856 7.439 ( 3.569 0.634 0.413) 3.648 7.465 ( -0.691 8.409 0.212) 8.440 7.527 ( 2.929 7.814 0.126) 8.346 7.791 ( -5.248 -0.544 -0.335) 5.287 7.879 ( 0.339 2.691 -0.337) 2.733 9.122 ( 1.276 6.517 -0.038) 6.640 9.170 ( 2.702 5.875 -0.026) 6.467 9.638 ( -8.995 -0.484 -0.261) 9.012 9.907 ( 4.230 -3.539 0.000) 5.515 15.612 ( -9.589 -2.642 0.051) 9.946 15.687 ( -9.531 -3.679 -0.131) 10.217 ======================= Grid point 362 (176/256) ======================= q-point: (-0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -10.571 14.487 0.055) 17.934 2.561 ( -11.923 14.495 0.318) 18.772 2.873 ( -2.501 -0.521 -1.206) 2.825 2.985 ( -11.227 7.050 -0.009) 13.257 3.487 ( -23.595 2.029 0.348) 23.684 3.555 ( -21.651 2.031 -0.389) 21.750 3.930 ( -5.257 21.007 -0.466) 21.660 4.014 ( -2.593 19.492 0.991) 19.689 6.292 ( -12.128 28.778 0.144) 31.230 6.475 ( -8.217 30.009 -0.149) 31.114 6.874 ( 1.712 -7.284 1.266) 7.589 6.992 ( 2.655 -7.717 -1.907) 8.381 7.440 ( -1.749 0.967 1.052) 2.259 7.451 ( 1.832 7.795 0.067) 8.007 7.504 ( 1.390 -0.207 -0.236) 1.424 7.572 ( -2.130 -3.947 0.553) 4.519 7.714 ( 1.864 10.540 -0.644) 10.723 7.920 ( 5.238 11.430 -0.198) 12.574 9.168 ( 3.358 5.323 -0.031) 6.294 9.220 ( 0.959 7.789 -0.284) 7.853 9.456 ( -8.046 -1.852 -0.252) 8.260 9.957 ( 0.656 -5.455 0.028) 5.494 15.354 ( -15.629 -2.665 0.190) 15.856 15.427 ( -15.815 -3.530 -0.272) 16.206 ======================= Grid point 363 (177/256) ======================= q-point: (-0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -7.694 17.181 -0.047) 18.825 2.265 ( -16.068 18.929 0.332) 24.832 2.680 ( -20.016 4.677 -1.196) 20.590 2.824 ( -6.224 -3.598 -0.749) 7.228 2.974 ( -23.861 3.152 1.026) 24.090 3.071 ( -23.479 1.714 -0.766) 23.554 3.836 ( -3.907 22.190 -0.436) 22.536 4.000 ( 0.378 19.533 1.543) 19.598 6.048 ( -11.780 30.125 0.185) 32.347 6.301 ( -8.671 30.679 -0.234) 31.882 6.920 ( 2.388 -7.642 1.737) 8.193 7.035 ( 2.236 -7.786 -2.407) 8.451 7.361 ( -6.050 -7.976 0.814) 10.044 7.440 ( -7.632 -6.100 0.351) 9.777 7.489 ( 1.709 8.883 0.048) 9.046 7.518 ( 0.200 4.470 0.004) 4.474 7.872 ( 11.567 11.885 -0.650) 16.597 8.083 ( 9.837 17.079 0.291) 19.712 9.101 ( -11.396 7.728 -0.789) 13.792 9.267 ( 6.000 1.844 -0.053) 6.277 9.405 ( 2.022 -1.780 -0.129) 2.697 9.929 ( -3.540 -6.827 0.024) 7.691 15.032 ( -15.863 -2.695 0.307) 16.093 15.098 ( -16.232 -3.375 -0.387) 16.583 ======================= Grid point 364 (178/256) ======================= q-point: (-0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -3.216 17.691 -0.110) 17.981 1.979 ( -11.761 21.983 0.642) 24.940 2.210 ( -22.531 0.597 -2.742) 22.705 2.447 ( -20.339 -3.001 2.406) 20.699 2.667 ( -11.833 9.474 0.012) 15.158 2.857 ( -2.174 1.368 -2.046) 3.284 3.779 ( -1.768 20.924 -0.224) 21.000 4.021 ( 0.952 18.677 1.805) 18.788 5.853 ( -7.278 31.400 0.178) 32.233 6.154 ( -5.618 31.217 -0.263) 31.720 6.970 ( 1.983 -7.791 2.063) 8.300 7.069 ( 1.899 -7.942 -2.457) 8.527 7.237 ( -5.835 -9.221 -0.023) 10.912 7.307 ( -5.181 -6.338 0.625) 8.210 7.516 ( 0.896 9.630 -0.048) 9.671 7.531 ( 0.783 5.323 0.320) 5.389 8.128 ( 13.661 10.180 -0.531) 17.046 8.259 ( 6.786 20.674 0.566) 21.766 8.837 ( -13.808 6.047 -1.301) 15.130 9.411 ( 8.257 -3.013 -0.025) 8.789 9.454 ( 2.169 -0.422 -0.250) 2.224 9.820 ( -7.062 -7.211 -0.002) 10.093 14.768 ( -9.902 -2.741 0.379) 10.282 14.824 ( -10.270 -3.262 -0.455) 10.785 ======================= Grid point 365 (179/256) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.267 0.019 -1.732) 1.753 2.094 ( 1.197 2.542 0.139) 2.813 2.171 ( -0.725 8.731 0.319) 8.767 2.356 ( 0.128 18.552 -0.201) 18.553 2.770 ( -0.113 8.484 0.386) 8.493 2.806 ( -0.274 -2.038 -0.545) 2.128 4.117 ( -0.227 14.367 -0.890) 14.397 4.323 ( 0.167 9.917 1.614) 10.049 6.356 ( 0.238 24.666 0.175) 24.667 6.628 ( -0.135 21.448 -0.288) 21.450 6.866 ( -0.419 -4.717 2.126) 5.191 6.956 ( 1.290 -5.929 -2.022) 6.396 6.993 ( -0.907 -7.084 -0.698) 7.175 7.109 ( 0.004 -7.424 0.407) 7.435 7.623 ( 0.027 3.646 -0.554) 3.688 7.682 ( 0.067 5.622 0.099) 5.623 8.548 ( 0.213 11.676 0.010) 11.678 8.700 ( -0.269 14.070 0.399) 14.078 8.730 ( 0.055 4.831 -0.012) 4.832 9.392 ( -0.026 -8.202 -0.084) 8.202 9.476 ( -0.022 0.245 -0.136) 0.282 9.604 ( 0.053 -3.931 -0.066) 3.932 14.621 ( 0.085 -1.898 0.442) 1.950 14.657 ( -0.092 -2.632 -0.452) 2.672 ======================= Grid point 366 (180/256) ======================= q-point: ( 0.10 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 9.930 4.781 -1.805) 11.168 2.251 ( 18.359 9.440 -0.625) 20.653 2.364 ( 19.680 2.738 0.697) 19.882 2.452 ( 10.394 12.181 -0.199) 16.014 2.812 ( 2.398 -1.839 0.046) 3.023 2.865 ( 8.318 8.345 0.234) 11.785 4.134 ( 2.139 14.362 -0.530) 14.530 4.327 ( -0.032 10.253 1.159) 10.318 6.425 ( 6.480 24.025 -0.011) 24.884 6.677 ( 4.950 21.193 -0.196) 21.765 6.844 ( -1.757 -4.543 1.977) 5.257 6.931 ( -1.953 -5.179 -2.262) 5.980 7.061 ( 5.986 -8.129 -0.032) 10.095 7.162 ( 4.884 -7.375 0.216) 8.848 7.620 ( -0.237 3.829 -0.492) 3.868 7.674 ( -0.856 5.751 0.012) 5.814 8.335 ( -13.116 10.066 0.033) 16.533 8.585 ( -10.489 11.285 0.286) 15.410 8.960 ( 14.734 6.598 -0.023) 16.144 9.359 ( -2.352 -2.301 0.035) 3.291 9.453 ( -2.304 0.392 -0.093) 2.338 9.684 ( 6.177 -6.164 -0.136) 8.727 14.726 ( 10.081 -1.893 0.385) 10.265 14.758 ( 10.024 -2.682 -0.386) 10.384 ======================= Grid point 367 (181/256) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 6.486 9.963 -1.069) 11.936 2.639 ( 11.041 15.464 -0.042) 19.001 2.740 ( 12.256 -1.766 0.301) 12.386 2.775 ( 21.839 3.823 -1.809) 22.245 3.032 ( 24.857 0.560 0.860) 24.878 3.115 ( 17.269 5.530 0.329) 18.136 4.196 ( 4.108 14.385 -0.200) 14.961 4.333 ( 0.589 11.283 0.636) 11.316 6.593 ( 9.746 21.729 -0.239) 23.816 6.786 ( 2.226 5.984 0.114) 6.386 6.835 ( 3.496 9.342 1.267) 10.055 6.886 ( -1.482 -3.058 -1.522) 3.724 7.194 ( 6.875 -8.786 -0.022) 11.156 7.283 ( 6.667 -7.354 0.152) 9.927 7.613 ( -0.365 4.336 -0.408) 4.371 7.654 ( -0.932 6.019 -0.079) 6.091 8.099 ( -10.383 10.509 0.060) 14.773 8.342 ( -12.763 8.555 0.134) 15.366 9.244 ( 13.471 6.151 -0.078) 14.809 9.313 ( -2.249 2.437 0.106) 3.318 9.389 ( -3.944 0.828 -0.041) 4.030 9.798 ( 4.732 -6.058 -0.145) 7.688 14.994 ( 15.937 -1.862 0.231) 16.047 15.025 ( 16.030 -2.829 -0.221) 16.279 ======================= Grid point 368 (182/256) ======================= q-point: ( 0.30 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 7.626 8.408 -0.673) 11.371 2.737 ( 0.472 0.047 -0.006) 0.475 2.958 ( 13.074 12.023 -0.458) 17.767 3.143 ( 12.648 8.442 -0.236) 15.209 3.544 ( 23.232 1.945 -0.559) 23.320 3.561 ( 24.263 0.812 0.784) 24.289 4.285 ( 4.504 14.177 -0.094) 14.876 4.357 ( 1.687 12.435 0.361) 12.555 6.745 ( 1.738 2.443 0.353) 3.019 6.790 ( 1.087 1.267 -1.556) 2.282 6.861 ( 3.577 7.036 0.573) 7.914 6.991 ( 7.664 20.504 0.360) 21.892 7.309 ( 4.160 -8.667 -0.016) 9.614 7.398 ( 4.068 -5.883 0.214) 7.156 7.606 ( -0.110 5.165 -0.330) 5.176 7.646 ( 0.251 5.838 -0.147) 5.845 7.936 ( -5.718 10.545 0.024) 11.995 8.121 ( -8.849 7.647 -0.037) 11.695 9.265 ( -2.385 3.733 0.055) 4.430 9.305 ( -4.163 0.509 -0.011) 4.194 9.490 ( 10.945 5.633 -0.078) 12.310 9.860 ( 1.529 -4.040 -0.120) 4.321 15.317 ( 15.522 -1.857 0.036) 15.633 15.351 ( 15.782 -2.984 -0.016) 16.062 ======================= Grid point 369 (183/256) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 6.944 5.641 -0.379) 8.955 2.717 ( -2.297 0.739 -0.017) 2.413 3.193 ( 9.884 11.692 -0.331) 15.314 3.311 ( 4.548 9.056 -0.088) 10.135 3.918 ( 13.350 2.508 -0.306) 13.587 3.942 ( 13.308 1.766 0.169) 13.425 4.358 ( 2.564 13.587 -0.380) 13.832 4.399 ( 2.257 12.774 0.588) 12.985 6.742 ( -0.247 -4.413 0.382) 4.436 6.764 ( -1.836 -4.509 -1.294) 5.037 7.004 ( 7.232 16.311 0.319) 17.845 7.107 ( 3.117 18.780 0.430) 19.042 7.360 ( 1.800 -4.945 -0.036) 5.262 7.430 ( -0.645 -1.112 0.246) 1.309 7.612 ( 0.799 5.910 -0.204) 5.967 7.650 ( -0.295 5.349 -0.141) 5.359 7.884 ( 0.392 8.051 -0.035) 8.061 7.996 ( -4.186 6.339 -0.203) 7.599 9.218 ( -2.222 2.649 0.041) 3.458 9.239 ( -2.091 1.260 -0.032) 2.442 9.676 ( 7.759 3.972 -0.099) 8.718 9.859 ( -1.596 -1.264 -0.098) 2.039 15.572 ( 9.335 -1.883 -0.058) 9.523 15.612 ( 9.701 -3.084 0.082) 10.179 ======================= Grid point 370 (184/256) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -1.199 2.871 -0.014) 3.112 2.654 ( 1.185 2.929 -0.265) 3.171 3.322 ( -1.861 10.228 -0.439) 10.405 3.327 ( 1.868 10.196 0.094) 10.366 4.050 ( -0.110 3.022 -0.184) 3.029 4.075 ( 0.091 2.780 -0.041) 2.782 4.381 ( -0.105 13.001 -0.380) 13.007 4.429 ( 0.057 12.478 0.604) 12.493 6.730 ( -1.128 -4.457 -0.106) 4.599 6.753 ( 1.163 -4.961 -0.672) 5.139 7.100 ( -2.340 15.203 0.168) 15.383 7.116 ( 2.477 15.705 0.471) 15.906 7.393 ( -2.589 0.603 0.321) 2.678 7.405 ( 2.524 0.581 -0.192) 2.597 7.630 ( 0.641 6.014 -0.173) 6.050 7.634 ( -0.836 6.005 0.029) 6.063 7.921 ( 1.708 5.657 0.011) 5.909 7.932 ( -1.689 5.627 -0.325) 5.884 9.194 ( 0.048 1.885 0.008) 1.886 9.219 ( -0.047 1.555 -0.019) 1.556 9.794 ( -0.523 1.661 -0.071) 1.743 9.801 ( 0.581 1.553 -0.138) 1.664 15.665 ( -0.167 -1.896 -0.005) 1.903 15.713 ( 0.173 -3.118 0.026) 3.123 ======================= Grid point 371 (185/256) ======================= q-point: (-0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -6.873 5.883 -0.272) 9.051 2.718 ( 2.131 0.235 -0.042) 2.145 3.189 ( -9.808 11.383 -0.240) 15.028 3.313 ( -4.582 9.153 -0.135) 10.236 3.911 ( -13.785 2.292 -0.007) 13.975 3.948 ( -12.792 1.994 -0.101) 12.947 4.355 ( -2.264 13.545 -0.295) 13.736 4.401 ( -2.703 12.989 0.538) 13.278 6.721 ( 0.246 -4.221 0.358) 4.243 6.782 ( 1.593 -4.022 -1.123) 4.469 6.997 ( -6.894 15.382 0.510) 16.864 7.122 ( -3.043 19.360 -0.070) 19.598 7.347 ( -1.893 -5.379 0.405) 5.716 7.444 ( 0.822 -0.593 -0.180) 1.030 7.611 ( -0.818 6.115 -0.211) 6.173 7.643 ( 0.006 5.406 0.127) 5.407 7.887 ( -0.627 7.596 -0.135) 7.623 7.992 ( 4.393 6.380 -0.064) 7.747 9.219 ( 2.170 2.678 0.004) 3.447 9.238 ( 2.155 1.131 0.002) 2.434 9.676 ( -7.707 3.836 -0.092) 8.609 9.860 ( 1.635 -1.161 -0.139) 2.011 15.565 ( -9.607 -1.881 0.134) 9.790 15.618 ( -9.420 -3.078 -0.121) 9.911 ======================= Grid point 372 (186/256) ======================= q-point: (-0.30 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -7.555 8.484 -0.542) 11.373 2.732 ( -0.913 -0.219 0.151) 0.951 2.954 ( -13.042 11.477 -0.362) 17.377 3.145 ( -12.448 8.361 -0.273) 14.998 3.523 ( -24.362 1.693 0.386) 24.424 3.584 ( -22.894 1.078 -0.247) 22.920 4.295 ( -3.663 14.206 -0.690) 14.687 4.344 ( -2.643 12.809 1.043) 13.120 6.734 ( -0.652 0.281 0.706) 1.001 6.765 ( -4.195 7.481 -0.476) 8.590 6.886 ( -1.583 2.942 -0.455) 3.372 7.008 ( -7.541 20.641 -0.232) 21.977 7.294 ( -4.206 -8.614 0.431) 9.596 7.413 ( -4.275 -5.468 -0.232) 6.944 7.606 ( 0.294 5.257 -0.385) 5.279 7.636 ( -0.141 5.994 0.235) 6.001 7.934 ( 5.508 10.130 0.086) 11.531 8.120 ( 8.967 7.667 0.000) 11.798 9.264 ( 2.276 3.600 0.091) 4.260 9.306 ( 4.272 0.517 -0.064) 4.304 9.491 ( -10.877 5.472 -0.090) 12.176 9.861 ( -1.527 -4.015 -0.154) 4.299 15.308 ( -15.640 -1.858 0.279) 15.753 15.361 ( -15.662 -2.970 -0.277) 15.943 ======================= Grid point 373 (187/256) ======================= q-point: (-0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -6.504 9.844 -0.833) 11.828 2.631 ( -10.866 15.408 0.219) 18.855 2.719 ( -12.170 -3.577 0.204) 12.686 2.783 ( -23.617 5.279 -1.170) 24.228 3.030 ( -21.614 1.566 0.770) 21.684 3.135 ( -18.714 4.224 -0.284) 19.187 4.214 ( -3.943 14.612 -1.079) 15.173 4.313 ( -0.828 11.530 1.597) 11.669 6.577 ( -9.601 21.576 0.260) 23.617 6.768 ( -0.461 1.927 0.620) 2.077 6.850 ( -5.154 13.532 0.390) 14.485 6.909 ( 1.199 -3.095 -1.792) 3.772 7.183 ( -6.564 -8.538 0.314) 10.774 7.291 ( -7.076 -6.866 -0.065) 9.860 7.614 ( 0.528 4.387 -0.513) 4.448 7.648 ( 1.108 5.906 0.172) 6.012 8.095 ( 10.346 10.250 0.184) 14.565 8.342 ( 12.761 8.631 0.129) 15.406 9.243 ( -13.084 6.035 -0.044) 14.408 9.314 ( 1.910 2.293 0.090) 2.986 9.391 ( 3.959 0.856 -0.125) 4.052 9.798 ( -4.750 -6.163 -0.148) 7.783 14.985 ( -15.892 -1.852 0.384) 16.004 15.035 ( -16.080 -2.825 -0.391) 16.331 ======================= Grid point 374 (188/256) ======================= q-point: (-0.10 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -9.014 5.080 -1.390) 10.439 2.253 ( -19.538 6.925 -0.656) 20.739 2.355 ( -18.754 3.444 0.959) 19.092 2.445 ( -9.251 13.634 0.032) 16.477 2.824 ( -3.427 -1.151 -0.263) 3.625 2.871 ( -8.451 7.156 -0.052) 11.074 4.146 ( -2.417 14.546 -1.114) 14.787 4.313 ( 0.215 10.393 1.783) 10.547 6.416 ( -6.108 23.962 0.289) 24.730 6.682 ( -4.927 20.466 -0.348) 21.054 6.843 ( 1.554 -3.831 1.800) 4.509 6.934 ( 1.334 -5.252 -2.083) 5.805 7.061 ( -5.191 -7.880 -0.146) 9.437 7.163 ( -5.177 -7.068 0.211) 8.764 7.621 ( 0.317 3.865 -0.570) 3.920 7.671 ( 0.985 5.651 0.141) 5.738 8.332 ( 13.158 9.971 0.133) 16.509 8.586 ( 10.429 11.334 0.270) 15.405 8.961 ( -14.693 6.474 -0.043) 16.057 9.360 ( 2.382 -2.215 0.026) 3.253 9.454 ( 2.254 0.368 -0.148) 2.289 9.683 ( -6.165 -6.367 -0.110) 8.863 14.721 ( -9.939 -1.872 0.437) 10.123 14.764 ( -10.179 -2.694 -0.448) 10.539 ======================= Grid point 375 (189/256) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.366 1.341 -1.122) 1.786 2.042 ( 0.749 -3.619 0.573) 3.740 2.390 ( -0.303 10.193 -0.795) 10.228 2.696 ( -0.205 13.571 -0.038) 13.572 2.707 ( 0.093 -5.381 0.084) 5.383 2.914 ( -0.026 3.361 0.227) 3.369 4.330 ( -0.208 7.396 -0.822) 7.445 4.441 ( 0.090 2.234 0.836) 2.387 6.732 ( 0.078 11.052 0.507) 11.064 6.813 ( -0.175 -0.249 1.262) 1.298 6.849 ( 1.511 -3.515 -0.414) 3.849 6.891 ( -1.095 -2.874 -1.424) 3.390 6.948 ( -0.123 8.732 0.005) 8.733 6.998 ( -0.289 -1.839 -0.379) 1.900 7.691 ( 0.075 3.092 -0.756) 3.184 7.750 ( 0.107 1.256 -0.018) 1.261 8.783 ( 0.284 11.520 -0.002) 11.523 8.831 ( -0.242 5.102 0.627) 5.146 8.890 ( -0.109 4.896 0.398) 4.913 9.212 ( -0.041 -9.679 -0.064) 9.679 9.485 ( 0.015 0.637 -0.047) 0.639 9.542 ( 0.119 -2.419 -0.080) 2.423 14.594 ( 0.050 -0.757 0.321) 0.824 14.613 ( -0.070 -1.685 -0.261) 1.706 ======================= Grid point 376 (190/256) ======================= q-point: ( 0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 17.806 1.902 -1.479) 17.969 2.295 ( 21.174 -4.328 -0.082) 21.612 2.464 ( 10.306 9.708 -0.307) 14.162 2.728 ( 4.376 0.193 0.577) 4.418 2.783 ( 7.334 8.961 -0.310) 11.583 2.988 ( 7.224 2.984 0.225) 7.819 4.347 ( 1.997 7.303 -0.434) 7.584 4.450 ( 0.738 2.453 0.592) 2.630 6.766 ( 0.696 3.963 0.405) 4.044 6.809 ( 2.482 5.958 0.828) 6.507 6.847 ( -2.104 -2.949 -1.466) 3.908 6.927 ( 5.107 -3.931 0.157) 6.447 7.005 ( 5.461 9.319 0.087) 10.802 7.058 ( 5.717 -1.510 -0.353) 5.923 7.689 ( -0.062 3.090 -0.698) 3.168 7.745 ( -0.585 1.396 -0.139) 1.520 8.524 ( -13.413 8.603 0.322) 15.939 8.710 ( -13.596 1.504 0.287) 13.681 9.097 ( 13.866 6.883 0.228) 15.482 9.309 ( 5.036 -3.072 0.136) 5.901 9.468 ( -1.556 1.201 -0.053) 1.967 9.575 ( 3.739 -4.551 -0.216) 5.894 14.698 ( 10.060 -0.837 0.302) 10.099 14.714 ( 9.963 -1.633 -0.231) 10.099 ======================= Grid point 377 (191/256) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 7.117 5.606 -1.281) 9.150 2.613 ( 7.029 -5.916 -0.426) 9.197 2.890 ( 27.005 6.042 -0.412) 27.675 2.963 ( 13.350 12.587 -0.144) 18.349 3.031 ( 24.389 -0.836 0.439) 24.407 3.192 ( 13.508 1.437 0.290) 13.587 4.405 ( 3.814 6.858 0.009) 7.847 4.477 ( 1.854 3.429 0.369) 3.916 6.743 ( -1.823 -0.472 0.568) 1.967 6.797 ( -2.374 -2.211 -1.277) 3.486 6.924 ( 6.924 6.876 0.474) 9.770 7.042 ( 5.889 -4.904 0.129) 7.665 7.150 ( 8.701 9.885 0.096) 13.169 7.201 ( 8.412 0.670 -0.218) 8.442 7.686 ( 0.006 3.054 -0.603) 3.113 7.731 ( -0.567 1.736 -0.257) 1.844 8.286 ( -10.478 8.021 0.299) 13.199 8.439 ( -12.892 1.415 0.208) 12.971 9.318 ( 5.142 1.654 0.134) 5.403 9.346 ( -0.784 0.666 0.105) 1.034 9.457 ( 3.565 5.460 -0.060) 6.522 9.683 ( 6.249 -5.459 -0.213) 8.300 14.966 ( 15.925 -0.901 0.212) 15.952 14.980 ( 15.910 -1.644 -0.126) 15.995 ======================= Grid point 378 (192/256) ======================= q-point: ( 0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 5.810 5.044 -0.820) 7.737 2.686 ( 2.034 -3.724 -0.267) 4.251 3.204 ( 11.814 10.622 -0.389) 15.891 3.295 ( 12.653 5.895 -0.344) 13.963 3.562 ( 24.727 0.234 -0.334) 24.730 3.577 ( 23.410 0.230 0.557) 23.418 4.488 ( 4.177 6.392 0.235) 7.639 4.524 ( 2.698 4.586 0.341) 5.331 6.708 ( -1.647 -0.819 0.323) 1.867 6.747 ( -2.371 -2.173 -0.877) 3.333 7.052 ( 5.405 2.888 0.274) 6.134 7.139 ( 3.468 -5.295 0.127) 6.331 7.329 ( 8.861 10.273 0.074) 13.567 7.373 ( 8.465 4.005 -0.023) 9.364 7.690 ( 0.562 3.247 -0.466) 3.328 7.727 ( 0.219 2.069 -0.291) 2.101 8.117 ( -6.496 7.373 0.166) 9.828 8.223 ( -8.587 2.531 0.091) 8.952 9.296 ( -3.510 -0.435 0.021) 3.537 9.304 ( -3.019 0.363 0.021) 3.041 9.617 ( 8.831 6.032 -0.042) 10.695 9.791 ( 4.299 -3.148 -0.131) 5.330 15.289 ( 15.515 -0.917 0.062) 15.542 15.303 ( 15.651 -1.724 0.035) 15.746 ======================= Grid point 379 (193/256) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 4.425 3.159 -0.519) 5.462 2.706 ( 0.042 -1.403 -0.269) 1.429 3.406 ( 8.133 8.712 -0.416) 11.925 3.468 ( 5.283 5.771 -0.238) 7.828 3.953 ( 13.935 1.087 -0.358) 13.982 3.965 ( 13.929 0.569 0.218) 13.942 4.556 ( 2.346 6.275 0.051) 6.699 4.578 ( 2.388 5.201 0.654) 5.761 6.685 ( -0.666 -1.256 0.012) 1.422 6.702 ( -1.880 -1.826 -0.499) 2.668 7.133 ( 2.721 -0.947 0.148) 2.885 7.176 ( 0.417 -4.682 0.167) 4.703 7.483 ( 6.226 10.497 0.017) 12.205 7.514 ( 5.144 7.560 0.094) 9.145 7.706 ( 1.057 3.462 -0.264) 3.629 7.732 ( 0.176 2.472 -0.231) 2.489 8.032 ( -2.112 6.103 0.007) 6.458 8.097 ( -4.501 3.206 -0.062) 5.526 9.230 ( -2.657 -0.345 0.001) 2.679 9.246 ( -2.525 -0.556 -0.023) 2.586 9.763 ( 5.698 4.037 -0.076) 6.984 9.847 ( 1.263 -0.438 -0.082) 1.339 15.543 ( 9.352 -0.872 -0.003) 9.393 15.562 ( 9.592 -1.851 0.103) 9.770 ======================= Grid point 380 (194/256) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.279 1.051 -0.320) 1.134 2.688 ( -0.395 0.713 -0.303) 0.869 3.502 ( -1.656 7.023 -0.326) 7.223 3.506 ( 1.640 6.885 -0.279) 7.083 4.091 ( -0.156 1.334 -0.208) 1.359 4.107 ( 0.113 0.676 0.003) 0.685 4.578 ( -0.129 6.462 0.096) 6.464 4.607 ( 0.103 5.207 0.631) 5.246 6.674 ( -0.752 -1.261 -0.145) 1.475 6.685 ( 0.805 -1.858 -0.321) 2.050 7.165 ( -0.463 -2.976 0.060) 3.012 7.171 ( 0.334 -3.516 0.257) 3.541 7.558 ( -0.635 10.219 -0.050) 10.239 7.562 ( 1.067 9.837 -0.008) 9.894 7.724 ( 0.572 3.189 -0.131) 3.242 7.727 ( -0.623 3.105 -0.157) 3.171 8.028 ( 0.623 4.232 0.020) 4.277 8.035 ( -0.859 3.960 -0.130) 4.054 9.203 ( 0.040 -0.354 -0.022) 0.357 9.218 ( -0.062 -1.011 -0.005) 1.012 9.837 ( -0.836 2.035 -0.036) 2.201 9.841 ( 0.865 1.856 -0.128) 2.051 15.638 ( -0.121 -0.785 0.041) 0.795 15.661 ( 0.119 -1.970 0.056) 1.974 ======================= Grid point 381 (195/256) ======================= q-point: (-0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -4.460 3.088 -0.463) 5.444 2.701 ( -0.219 -1.529 -0.080) 1.546 3.401 ( -8.089 8.782 -0.253) 11.942 3.469 ( -5.366 5.641 -0.277) 7.790 3.946 ( -14.215 1.283 -0.025) 14.273 3.970 ( -13.633 0.283 -0.055) 13.636 4.553 ( -2.289 6.419 0.204) 6.818 4.583 ( -2.498 5.224 0.419) 5.806 6.673 ( 0.658 -0.667 0.141) 0.947 6.713 ( 1.977 -2.357 -0.615) 3.137 7.128 ( -2.949 -0.501 0.306) 3.007 7.176 ( -0.549 -4.980 0.137) 5.012 7.487 ( -5.923 10.949 -0.115) 12.449 7.527 ( -4.645 7.180 -0.301) 8.557 7.707 ( -1.080 3.435 -0.331) 3.616 7.727 ( -0.304 2.636 -0.024) 2.654 8.029 ( 1.823 5.909 0.108) 6.185 8.092 ( 4.555 3.149 0.094) 5.539 9.231 ( 2.676 -0.421 -0.030) 2.709 9.244 ( 2.473 -0.490 0.038) 2.521 9.761 ( -5.687 4.045 -0.030) 6.979 9.848 ( -1.253 -0.502 -0.132) 1.356 15.539 ( -9.553 -0.696 0.130) 9.579 15.566 ( -9.398 -2.026 -0.042) 9.613 ======================= Grid point 382 (196/256) ======================= q-point: (-0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -5.822 4.878 -0.656) 7.624 2.675 ( -2.356 -3.852 0.087) 4.516 3.198 ( -11.751 10.693 -0.208) 15.889 3.294 ( -12.626 5.699 -0.289) 13.856 3.549 ( -24.791 0.893 0.273) 24.809 3.591 ( -23.083 -0.554 -0.089) 23.090 4.495 ( -3.484 6.193 -0.057) 7.106 4.521 ( -3.430 5.076 0.485) 6.145 6.698 ( 1.662 -0.298 0.413) 1.738 6.755 ( 2.373 -2.446 -0.909) 3.527 7.044 ( -5.666 3.147 0.522) 6.503 7.137 ( -3.623 -5.648 0.187) 6.713 7.338 ( -8.647 10.792 -0.262) 13.831 7.392 ( -8.251 3.718 -0.573) 9.068 7.690 ( -0.438 3.147 -0.507) 3.218 7.719 ( -0.199 2.234 -0.003) 2.243 8.111 ( 6.379 7.322 0.372) 9.718 8.221 ( 8.696 2.404 0.166) 9.024 9.296 ( 3.327 -0.325 0.050) 3.343 9.303 ( 3.213 0.210 0.025) 3.220 9.615 ( -8.842 6.003 0.012) 10.688 9.792 ( -4.345 -3.215 -0.150) 5.407 15.282 ( -15.605 -0.642 0.217) 15.620 15.311 ( -15.575 -1.997 -0.142) 15.703 ======================= Grid point 383 (197/256) ======================= q-point: (-0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -7.289 5.326 -0.904) 9.072 2.589 ( -8.294 -5.743 0.345) 10.094 2.900 ( -26.173 5.804 -0.736) 26.819 2.955 ( -12.855 12.878 0.161) 18.197 3.036 ( -23.332 -0.834 0.284) 23.348 3.197 ( -14.096 0.957 0.108) 14.129 4.420 ( -3.669 6.479 -0.713) 7.480 4.467 ( -2.073 4.114 0.910) 4.696 6.737 ( 2.021 -0.218 0.649) 2.134 6.797 ( 1.781 -1.125 -1.098) 2.375 6.916 ( -6.691 5.721 0.632) 8.826 7.039 ( -5.856 -5.408 0.273) 7.976 7.161 ( -8.646 10.328 -0.410) 13.475 7.219 ( -8.519 0.950 -0.660) 8.597 7.687 ( 0.178 2.903 -0.668) 2.984 7.725 ( 0.702 1.812 0.005) 1.943 8.280 ( 10.476 8.074 0.483) 13.236 8.439 ( 12.920 1.321 0.208) 12.989 9.320 ( -5.372 1.729 0.085) 5.644 9.344 ( 0.911 0.711 0.165) 1.167 9.456 ( -3.386 5.232 -0.028) 6.232 9.681 ( -6.353 -5.536 -0.154) 8.428 14.960 ( -15.892 -0.640 0.280) 15.907 14.987 ( -15.967 -1.902 -0.217) 16.082 ======================= Grid point 384 (198/256) ======================= q-point: (-0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -16.678 1.652 -1.165) 16.800 2.262 ( -19.898 -3.396 0.969) 20.209 2.483 ( -11.212 8.913 -0.877) 14.350 2.737 ( -4.931 2.141 0.302) 5.385 2.781 ( -7.252 6.955 -0.235) 10.051 2.989 ( -7.351 2.817 0.209) 7.875 4.358 ( -2.256 7.038 -0.946) 7.451 4.443 ( -0.654 2.912 0.973) 3.139 6.775 ( -3.724 9.455 0.246) 10.165 6.779 ( 1.844 0.618 1.002) 2.188 6.847 ( 0.308 -3.020 -0.867) 3.157 6.933 ( -4.158 -4.753 0.114) 6.316 7.013 ( -5.771 9.570 -0.463) 11.185 7.069 ( -6.045 -0.762 -0.567) 6.119 7.690 ( 0.226 2.977 -0.752) 3.079 7.741 ( 0.770 1.421 0.022) 1.617 8.521 ( 13.455 8.678 0.424) 16.016 8.711 ( 13.522 1.472 0.264) 13.605 9.097 ( -13.904 6.891 0.236) 15.519 9.311 ( -5.023 -3.071 0.094) 5.888 9.468 ( 1.548 1.075 -0.055) 1.886 9.571 ( -3.638 -4.599 -0.100) 5.865 14.695 ( -9.968 -0.685 0.312) 9.997 14.718 ( -10.089 -1.783 -0.255) 10.249 ======================= Grid point 385 (199/256) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.529 -2.804 -0.260) 2.865 1.976 ( 0.529 2.804 -0.260) 2.865 2.570 ( -0.228 -7.870 -0.249) 7.878 2.570 ( -0.228 7.870 -0.249) 7.878 2.894 ( 0.070 -5.507 0.091) 5.508 2.894 ( 0.070 5.507 0.091) 5.508 4.431 ( -0.070 -2.853 -0.115) 2.856 4.431 ( -0.070 2.853 -0.115) 2.856 6.802 ( -0.234 -1.102 0.098) 1.131 6.802 ( -0.234 1.102 0.098) 1.131 6.844 ( 0.474 -1.678 0.189) 1.754 6.844 ( 0.474 1.678 0.189) 1.754 7.028 ( -0.321 -1.423 -0.532) 1.553 7.028 ( -0.321 1.423 -0.532) 1.553 7.742 ( 0.110 -1.764 -0.415) 1.816 7.742 ( 0.110 1.764 -0.415) 1.816 8.912 ( -0.071 -2.151 0.594) 2.233 8.912 ( -0.071 2.151 0.594) 2.233 9.007 ( 0.012 -10.766 -0.031) 10.766 9.007 ( 0.012 10.766 -0.031) 10.766 9.504 ( 0.075 -1.348 -0.058) 1.351 9.504 ( 0.075 1.348 -0.058) 1.351 14.591 ( -0.012 -0.504 0.044) 0.506 14.591 ( -0.012 0.504 0.044) 0.506 ======================= Grid point 387 (200/256) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 19.571 -3.407 -0.758) 19.880 2.215 ( 19.571 3.407 -0.758) 19.880 2.628 ( 7.642 -6.780 0.120) 10.217 2.628 ( 7.642 6.780 0.120) 10.217 2.966 ( 6.836 -5.448 0.012) 8.742 2.966 ( 6.836 5.448 0.012) 8.742 4.444 ( 1.463 -2.675 0.004) 3.049 4.444 ( 1.463 2.675 0.004) 3.049 6.792 ( -1.285 -1.913 -0.176) 2.311 6.792 ( -1.285 1.913 -0.176) 2.311 6.880 ( 3.664 -1.010 0.308) 3.814 6.880 ( 3.664 1.010 0.308) 3.814 7.089 ( 6.116 -0.894 -0.306) 6.189 7.089 ( 6.116 0.894 -0.306) 6.189 7.739 ( -0.271 -1.663 -0.463) 1.748 7.739 ( -0.271 1.663 -0.463) 1.748 8.667 ( -14.068 -5.179 0.369) 14.995 8.667 ( -14.068 5.179 0.369) 14.995 9.224 ( 10.864 -5.487 0.195) 12.172 9.224 ( 10.864 5.487 0.195) 12.172 9.504 ( 0.461 -2.538 -0.136) 2.583 9.504 ( 0.461 2.538 -0.136) 2.583 14.694 ( 9.996 -0.401 0.050) 10.004 14.694 ( 9.996 0.401 0.050) 10.004 ======================= Grid point 389 (201/256) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 7.720 -5.418 -0.888) 9.473 2.498 ( 7.720 5.418 -0.888) 9.473 2.988 ( 26.392 -3.508 0.065) 26.624 2.988 ( 26.392 3.508 0.065) 26.624 3.151 ( 11.954 -5.749 0.038) 13.265 3.151 ( 11.954 5.749 0.038) 13.265 4.489 ( 3.002 -1.821 0.197) 3.517 4.489 ( 3.002 1.821 0.197) 3.517 6.756 ( -2.061 -1.577 -0.230) 2.606 6.756 ( -2.061 1.577 -0.230) 2.606 6.977 ( 5.337 -1.506 0.261) 5.551 6.977 ( 5.337 1.506 0.261) 5.551 7.246 ( 9.300 -0.291 -0.143) 9.306 7.246 ( 9.300 0.291 -0.143) 9.306 7.732 ( -0.179 -1.350 -0.488) 1.447 7.732 ( -0.179 1.350 -0.488) 1.447 8.410 ( -11.553 -4.060 0.313) 12.250 8.410 ( -11.553 4.060 0.313) 12.250 9.342 ( 0.309 -0.851 0.118) 0.913 9.342 ( 0.309 0.851 0.118) 0.913 9.573 ( 6.969 -5.693 -0.135) 9.000 9.573 ( 6.969 5.693 -0.135) 9.000 14.960 ( 15.892 -0.325 0.057) 15.895 14.960 ( 15.892 0.325 0.057) 15.895 ======================= Grid point 391 (202/256) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 4.181 -4.260 -0.595) 5.998 2.605 ( 4.181 4.260 -0.595) 5.998 3.341 ( 10.911 -2.249 -0.403) 11.148 3.341 ( 10.911 2.249 -0.403) 11.148 3.568 ( 25.017 -0.617 0.108) 25.024 3.568 ( 25.017 0.617 0.108) 25.024 4.558 ( 3.599 -0.892 0.374) 3.726 4.558 ( 3.599 0.892 0.374) 3.726 6.715 ( -2.006 -1.102 -0.206) 2.298 6.715 ( -2.006 1.102 -0.206) 2.298 7.069 ( 3.580 -1.347 0.170) 3.829 7.069 ( 3.580 1.347 0.170) 3.829 7.437 ( 9.384 -0.230 -0.025) 9.387 7.437 ( 9.384 0.230 -0.025) 9.387 7.734 ( 0.562 -1.088 -0.427) 1.297 7.734 ( 0.562 1.088 -0.427) 1.297 8.221 ( -7.453 -2.760 0.177) 7.949 8.221 ( -7.453 2.760 0.177) 7.949 9.298 ( -3.491 -0.526 0.003) 3.530 9.298 ( -3.491 0.526 0.003) 3.530 9.720 ( 6.785 -4.226 -0.072) 7.994 9.720 ( 6.785 4.226 -0.072) 7.994 15.283 ( 15.556 -0.335 0.063) 15.560 15.283 ( 15.556 0.335 0.063) 15.560 ======================= Grid point 393 (203/256) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 2.306 -2.266 -0.460) 3.265 2.669 ( 2.306 2.266 -0.460) 3.265 3.514 ( 6.356 -1.583 -0.385) 6.562 3.514 ( 6.356 1.583 -0.385) 6.562 3.966 ( 14.149 -0.351 -0.080) 14.153 3.966 ( 14.149 0.351 -0.080) 14.153 4.622 ( 2.453 -0.550 0.478) 2.559 4.622 ( 2.453 0.550 0.478) 2.559 6.680 ( -1.290 -0.505 -0.189) 1.399 6.680 ( -1.290 0.505 -0.189) 1.399 7.116 ( 1.243 -0.750 0.111) 1.456 7.116 ( 1.243 0.750 0.111) 1.456 7.598 ( 6.353 -0.512 0.022) 6.374 7.598 ( 6.353 0.512 0.022) 6.374 7.749 ( 0.779 -0.732 -0.274) 1.103 7.749 ( 0.779 0.732 -0.274) 1.103 8.113 ( -3.634 -1.708 0.000) 4.016 8.113 ( -3.634 1.708 0.000) 4.016 9.230 ( -2.815 -0.565 -0.022) 2.872 9.230 ( -2.815 0.565 -0.022) 2.872 9.824 ( 3.624 -2.025 -0.067) 4.152 9.824 ( 3.624 2.025 -0.067) 4.152 15.539 ( 9.454 -0.443 0.064) 9.465 15.539 ( 9.454 0.443 0.064) 9.465 ======================= Grid point 395 (204/256) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -0.079 -0.319 -0.371) 0.495 2.690 ( -0.079 0.319 -0.371) 0.495 3.578 ( -0.009 -0.121 -0.363) 0.383 3.578 ( -0.009 0.121 -0.363) 0.383 4.108 ( -0.036 -0.427 -0.108) 0.442 4.108 ( -0.036 0.427 -0.108) 0.442 4.649 ( -0.004 -0.767 0.490) 0.910 4.649 ( -0.004 0.767 0.490) 0.910 6.667 ( 0.026 -0.282 -0.184) 0.338 6.667 ( 0.026 0.282 -0.184) 0.338 7.127 ( -0.022 -0.126 0.090) 0.156 7.127 ( -0.022 0.126 0.090) 0.156 7.668 ( 0.225 -0.063 -0.061) 0.241 7.668 ( 0.225 0.063 -0.061) 0.241 7.757 ( 0.011 -0.110 -0.163) 0.197 7.757 ( 0.011 0.110 -0.163) 0.197 8.075 ( -0.179 -0.206 -0.025) 0.274 8.075 ( -0.179 0.206 -0.025) 0.274 9.200 ( -0.008 -0.404 -0.019) 0.404 9.200 ( -0.008 0.404 -0.019) 0.404 9.860 ( 0.004 -0.098 -0.068) 0.120 9.860 ( 0.004 0.098 -0.068) 0.120 15.635 ( -0.003 -0.583 0.063) 0.586 15.635 ( -0.003 0.583 0.063) 0.586 ======================= Grid point 397 (205/256) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -2.439 -2.107 -0.305) 3.238 2.664 ( -2.439 2.107 -0.305) 3.238 3.512 ( -6.374 -1.778 -0.313) 6.624 3.512 ( -6.374 1.778 -0.313) 6.624 3.965 ( -14.169 -0.666 -0.031) 14.185 3.965 ( -14.169 0.666 -0.031) 14.185 4.624 ( -2.464 -0.828 0.406) 2.631 4.624 ( -2.464 0.828 0.406) 2.631 6.680 ( 1.343 -1.071 -0.192) 1.728 6.680 ( 1.343 1.071 -0.192) 1.728 7.115 ( -1.346 -0.788 0.133) 1.565 7.115 ( -1.346 0.788 0.133) 1.565 7.606 ( -5.980 -0.642 -0.237) 6.019 7.606 ( -5.980 0.642 -0.237) 6.019 7.747 ( -0.844 -0.521 -0.232) 1.018 7.747 ( -0.844 0.521 -0.232) 1.018 8.108 ( 3.497 -1.681 0.174) 3.884 8.108 ( 3.497 1.681 0.174) 3.884 9.230 ( 2.796 -0.491 -0.007) 2.839 9.230 ( 2.796 0.491 -0.007) 2.839 9.824 ( -3.630 -2.117 -0.058) 4.203 9.824 ( -3.630 2.117 -0.058) 4.203 15.539 ( -9.461 -0.691 0.058) 9.486 15.539 ( -9.461 0.691 0.058) 9.486 ======================= Grid point 399 (206/256) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -4.345 -4.054 -0.287) 5.950 2.595 ( -4.345 4.054 -0.287) 5.950 3.337 ( -10.901 -2.321 -0.268) 11.149 3.337 ( -10.901 2.321 -0.268) 11.149 3.567 ( -24.866 -1.267 0.117) 24.898 3.567 ( -24.866 1.267 0.117) 24.898 4.562 ( -3.614 -0.712 0.247) 3.692 4.562 ( -3.614 0.712 0.247) 3.692 6.715 ( 2.066 -1.620 -0.211) 2.634 6.715 ( 2.066 1.620 -0.211) 2.634 7.066 ( -3.816 -1.457 0.268) 4.094 7.066 ( -3.816 1.457 0.268) 4.094 7.450 ( -9.163 -0.430 -0.444) 9.183 7.450 ( -9.163 0.430 -0.444) 9.183 7.731 ( -0.518 -0.858 -0.313) 1.050 7.731 ( -0.518 0.858 -0.313) 1.050 8.216 ( 7.471 -2.888 0.347) 8.017 8.216 ( 7.471 2.888 0.347) 8.017 9.297 ( 3.490 -0.469 0.026) 3.522 9.297 ( 3.490 0.469 0.026) 3.522 9.719 ( -6.829 -4.300 -0.038) 8.070 9.719 ( -6.829 4.300 -0.038) 8.070 15.283 ( -15.566 -0.730 0.051) 15.583 15.283 ( -15.566 0.730 0.051) 15.583 ======================= Grid point 401 (207/256) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -8.238 -5.037 -0.281) 9.660 2.480 ( -8.238 5.037 -0.281) 9.660 2.994 ( -25.441 -3.397 -0.163) 25.667 2.994 ( -25.441 3.397 -0.163) 25.667 3.149 ( -12.184 -6.072 0.146) 13.614 3.149 ( -12.184 6.072 0.146) 13.614 4.494 ( -3.050 -1.159 0.054) 3.263 4.494 ( -3.050 1.159 0.054) 3.263 6.757 ( 2.155 -1.885 -0.245) 2.874 6.757 ( 2.155 1.885 -0.245) 2.874 6.970 ( -5.601 -1.796 0.463) 5.900 6.970 ( -5.601 1.796 0.463) 5.900 7.261 ( -9.228 -0.371 -0.592) 9.255 7.261 ( -9.228 0.371 -0.592) 9.255 7.729 ( 0.328 -1.137 -0.372) 1.240 7.729 ( 0.328 1.137 -0.372) 1.240 8.407 ( 11.583 -4.233 0.410) 12.339 8.407 ( 11.583 4.233 0.410) 12.339 9.342 ( -0.244 -0.737 0.108) 0.784 9.342 ( -0.244 0.737 0.108) 0.784 9.570 ( -7.057 -5.700 -0.042) 9.071 9.570 ( -7.057 5.700 -0.042) 9.071 14.960 ( -15.908 -0.693 0.045) 15.923 14.960 ( -15.908 0.693 0.045) 15.923 ======================= Grid point 403 (208/256) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -18.581 -2.902 -0.119) 18.807 2.196 ( -18.581 2.902 -0.119) 18.807 2.640 ( -8.216 -6.595 -0.269) 10.539 2.640 ( -8.216 6.595 -0.269) 10.539 2.963 ( -6.754 -5.594 0.109) 8.770 2.963 ( -6.754 5.594 0.109) 8.770 4.447 ( -1.571 -2.180 -0.094) 2.688 4.447 ( -1.571 2.180 -0.094) 2.688 6.795 ( 1.540 -1.800 -0.277) 2.385 6.795 ( 1.540 1.800 -0.277) 2.385 6.870 ( -3.860 -1.896 0.605) 4.342 6.870 ( -3.860 1.896 0.605) 4.342 7.100 ( -6.321 -0.893 -0.643) 6.416 7.100 ( -6.321 0.893 -0.643) 6.416 7.737 ( 0.469 -1.526 -0.392) 1.644 7.737 ( 0.469 1.526 -0.392) 1.644 8.666 ( 14.052 -5.301 0.398) 15.024 8.666 ( 14.052 5.301 0.398) 15.024 9.225 ( -10.966 -5.545 0.178) 12.289 9.225 ( -10.966 5.545 0.178) 12.289 9.502 ( -0.318 -2.421 -0.050) 2.443 9.502 ( -0.318 2.421 -0.050) 2.443 14.694 ( -10.017 -0.607 0.042) 10.035 14.694 ( -10.017 0.607 0.042) 10.035 ======================= Grid point 465 (209/256) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -0.000 0.000 0.000) 0.000 0.484 ( 0.000 0.000 0.000) 0.000 0.841 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 -0.000) 0.000 2.615 ( -0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 -0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 7.222 ( -0.000 0.000 0.000) 0.000 7.575 ( -0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.912 ( -0.000 0.000 0.000) 0.000 8.161 ( -0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.805 ( -0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 14.935 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 467 (210/256) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 16.724 0.000 -1.381) 16.781 0.817 ( 1.652 0.000 -0.943) 1.902 0.934 ( 36.982 0.000 -1.090) 36.998 2.200 ( 22.986 0.000 1.023) 23.009 2.255 ( -2.622 0.000 0.400) 2.653 2.764 ( 16.733 0.000 -4.394) 17.301 2.787 ( 16.764 0.000 4.549) 17.371 3.464 ( -0.452 0.000 0.303) 0.545 3.508 ( 9.692 0.000 -0.147) 9.694 3.651 ( 8.709 0.000 0.089) 8.709 6.324 ( -0.107 0.000 -0.058) 0.122 6.421 ( -0.655 0.000 -0.013) 0.655 6.760 ( -0.132 0.000 0.006) 0.132 6.794 ( -0.322 0.000 0.114) 0.341 7.289 ( 5.629 0.000 0.573) 5.658 7.563 ( -1.583 0.000 0.392) 1.631 7.628 ( 2.519 0.000 -0.635) 2.598 7.903 ( -0.217 0.000 -0.195) 0.292 8.364 ( 16.681 0.000 -0.110) 16.682 9.568 ( 0.099 0.000 -0.422) 0.434 9.631 ( -14.606 0.000 -0.334) 14.609 10.330 ( 3.069 0.000 0.531) 3.115 14.984 ( 8.033 0.000 0.128) 8.034 15.036 ( 9.969 0.000 -0.376) 9.976 ======================= Grid point 468 (211/256) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 14.832 0.000 -1.564) 14.914 1.041 ( 18.754 0.000 -1.518) 18.816 1.626 ( 30.946 0.000 -0.837) 30.958 2.191 ( -3.820 0.000 0.660) 3.876 2.668 ( 21.313 0.000 0.684) 21.324 3.148 ( 16.656 0.000 -1.788) 16.752 3.212 ( 24.132 0.000 4.020) 24.464 3.513 ( 9.108 0.000 -0.854) 9.148 3.757 ( 14.604 0.000 -0.183) 14.605 3.877 ( 13.169 0.000 0.125) 13.170 6.320 ( -0.179 0.000 -0.135) 0.224 6.401 ( -1.293 0.000 0.020) 1.293 6.756 ( -0.177 0.000 0.009) 0.177 6.785 ( -0.600 0.000 0.181) 0.626 7.397 ( 3.776 0.000 1.033) 3.915 7.567 ( 2.885 0.000 0.164) 2.890 7.651 ( -1.013 0.000 -0.771) 1.273 7.942 ( 4.807 0.000 -0.617) 4.846 8.686 ( 13.892 0.000 0.456) 13.900 9.312 ( -16.132 0.000 -0.004) 16.132 9.586 ( 2.287 0.000 -0.559) 2.354 10.363 ( -0.148 0.000 0.187) 0.238 15.212 ( 14.303 0.000 0.141) 14.304 15.306 ( 16.451 0.000 -0.438) 16.457 ======================= Grid point 469 (212/256) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 21.400 0.000 -2.585) 21.555 1.388 ( 16.136 0.000 -1.312) 16.189 2.104 ( 16.206 0.000 0.640) 16.219 2.110 ( -4.597 0.000 0.782) 4.663 3.021 ( 14.488 0.000 -0.082) 14.488 3.282 ( 1.837 0.000 1.604) 2.439 3.722 ( 23.894 0.000 1.039) 23.917 3.855 ( 20.208 0.000 -0.892) 20.227 4.049 ( 14.009 0.000 -0.123) 14.009 4.137 ( 12.169 0.000 0.090) 12.170 6.317 ( -0.134 0.000 -0.223) 0.260 6.372 ( -1.585 0.000 0.104) 1.589 6.753 ( -0.224 0.000 0.008) 0.224 6.772 ( -0.721 0.000 0.179) 0.743 7.433 ( 0.376 0.000 1.047) 1.113 7.593 ( -3.608 0.000 -0.345) 3.625 7.680 ( 7.248 0.000 -0.356) 7.257 8.058 ( 5.582 0.000 -0.722) 5.628 8.886 ( 6.076 0.000 0.183) 6.078 9.028 ( -11.700 0.000 0.328) 11.704 9.671 ( 6.523 0.000 -0.242) 6.527 10.322 ( -4.059 0.000 -0.187) 4.063 15.514 ( 14.981 0.000 0.313) 14.984 15.640 ( 16.138 0.000 -0.498) 16.145 ======================= Grid point 470 (213/256) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 12.213 0.000 -1.072) 12.260 1.759 ( 20.149 0.000 -3.090) 20.384 2.008 ( -5.995 0.000 0.835) 6.053 2.253 ( -1.172 0.000 2.269) 2.554 3.245 ( 8.041 0.000 -0.449) 8.054 3.322 ( 1.932 0.000 0.966) 2.160 4.101 ( 13.331 0.000 0.277) 13.334 4.185 ( 12.019 0.000 -0.073) 12.019 4.282 ( 8.877 0.000 -0.030) 8.877 4.330 ( 6.772 0.000 0.018) 6.772 6.316 ( 0.149 0.000 -0.284) 0.321 6.343 ( -1.318 0.000 0.206) 1.334 6.748 ( -0.198 0.000 -0.000) 0.198 6.759 ( -0.532 0.000 0.116) 0.545 7.439 ( 0.170 0.000 0.974) 0.988 7.523 ( -2.884 0.000 -0.836) 3.003 7.836 ( 8.280 0.000 0.039) 8.280 8.104 ( -1.742 0.000 -0.445) 1.798 8.884 ( -2.471 0.000 0.409) 2.504 8.939 ( -0.222 0.000 -0.162) 0.275 9.835 ( 9.520 0.000 0.215) 9.522 10.205 ( -7.477 0.000 -0.449) 7.490 15.766 ( 9.487 0.000 0.289) 9.491 15.902 ( 9.649 0.000 -0.378) 9.657 ======================= Grid point 471 (214/256) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 0.000 -0.000) 0.000 1.870 ( -0.000 0.000 0.000) 0.000 2.064 ( -0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 -0.000) 0.000 3.337 ( -0.000 0.000 0.000) 0.000 4.235 ( -0.000 0.000 0.000) 0.000 4.307 ( -0.000 0.000 0.000) 0.000 4.379 ( -0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 -0.000) 0.000 6.322 ( 0.000 0.000 -0.000) 0.000 6.324 ( -0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.754 ( -0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.489 ( -0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.008 ( -0.000 0.000 0.000) 0.000 8.901 ( -0.000 0.000 -0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 10.018 ( -0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 15.864 ( -0.000 0.000 0.000) 0.000 16.000 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 477 (215/256) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -0.000 13.391 0.000) 13.391 0.872 ( 0.000 5.373 0.000) 5.373 1.103 ( 0.000 42.686 0.000) 42.686 1.905 ( 0.000 -1.659 0.000) 1.659 2.427 ( -0.000 -11.123 0.000) 11.123 2.499 ( 0.000 5.958 0.000) 5.958 2.547 ( 0.000 11.141 0.000) 11.141 3.444 ( 0.000 -2.548 0.000) 2.548 3.817 ( 0.000 23.354 0.000) 23.354 3.832 ( -0.000 34.069 0.000) 34.069 6.545 ( 0.000 19.483 0.000) 19.483 6.755 ( -0.000 13.357 0.000) 13.357 6.964 ( 0.000 14.129 0.000) 14.129 7.046 ( 0.000 31.334 -0.000) 31.334 7.255 ( -0.000 3.020 0.000) 3.020 7.553 ( -0.000 -2.439 0.000) 2.439 7.619 ( 0.000 3.882 0.000) 3.882 7.857 ( -0.000 -5.095 0.000) 5.095 8.146 ( -0.000 -1.226 0.000) 1.226 9.554 ( 0.000 -1.407 0.000) 1.407 9.788 ( -0.000 -1.703 0.000) 1.703 10.198 ( 0.000 -7.399 0.000) 7.399 14.870 ( 0.000 -2.999 0.000) 2.999 14.910 ( -0.000 -2.346 0.000) 2.346 ======================= Grid point 479 (216/256) ======================= q-point: ( 0.10 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.749 5.325 -0.183) 5.381 0.904 ( 26.406 9.291 -1.351) 28.025 1.261 ( 16.761 35.162 -0.678) 38.959 2.165 ( 21.473 -2.666 0.785) 21.652 2.500 ( -1.952 21.584 0.254) 21.674 2.611 ( 17.871 -9.498 -0.435) 20.243 2.720 ( 17.785 -4.084 0.602) 18.258 3.430 ( -0.816 -2.859 0.182) 2.979 3.911 ( 8.950 24.431 -0.151) 26.019 3.921 ( 8.588 32.239 0.236) 33.364 6.534 ( -1.016 18.893 -0.276) 18.922 6.740 ( -2.055 16.833 0.644) 16.971 6.928 ( -5.856 18.619 -1.909) 19.611 6.945 ( -3.717 15.631 2.520) 16.264 7.329 ( 4.965 3.265 0.578) 5.970 7.552 ( -1.982 0.138 0.607) 2.077 7.599 ( 2.380 -2.654 -0.887) 3.673 7.849 ( -0.158 -5.131 -0.123) 5.134 8.377 ( 17.530 1.815 0.142) 17.624 9.551 ( -0.028 -1.547 -0.376) 1.592 9.610 ( -14.512 -2.019 -0.332) 14.656 10.267 ( 4.310 -5.739 0.451) 7.191 14.956 ( 8.541 -2.506 0.046) 8.902 15.013 ( 10.185 -2.115 -0.260) 10.406 ======================= Grid point 480 (217/256) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 14.268 4.406 -1.050) 14.969 1.320 ( 17.167 19.641 -1.031) 26.106 1.733 ( 26.484 14.023 -0.653) 29.975 2.430 ( -2.859 19.997 0.179) 20.201 2.608 ( 19.136 -2.929 0.549) 19.367 3.076 ( 22.149 -5.049 -2.758) 22.884 3.116 ( 20.943 -4.838 4.938) 22.055 3.474 ( 8.917 -3.579 -0.910) 9.652 4.141 ( 13.432 27.534 -0.241) 30.636 4.145 ( 13.080 27.397 0.369) 30.362 6.508 ( -1.403 17.272 -0.371) 17.333 6.662 ( -5.433 21.349 0.902) 22.048 6.839 ( -1.958 8.370 -0.015) 8.596 6.897 ( -2.266 10.065 -0.005) 10.317 7.398 ( 1.240 -1.146 0.911) 1.919 7.574 ( 4.298 1.295 0.583) 4.526 7.620 ( -0.890 -2.640 -1.231) 3.046 7.895 ( 5.411 -4.580 -0.542) 7.109 8.698 ( 13.275 1.504 0.590) 13.373 9.298 ( -15.634 -1.255 -0.002) 15.685 9.567 ( 2.118 -1.884 -0.510) 2.880 10.319 ( 0.539 -4.166 0.179) 4.204 15.193 ( 14.648 -1.771 0.130) 14.755 15.287 ( 16.519 -1.878 -0.370) 16.630 ======================= Grid point 481 (218/256) ======================= q-point: ( 0.30 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 20.605 3.123 -1.856) 20.923 1.627 ( 14.054 19.919 -0.903) 24.394 2.168 ( 15.488 7.592 0.531) 17.257 2.357 ( -4.118 21.328 0.259) 21.723 2.946 ( 14.404 -4.884 -0.013) 15.210 3.217 ( 1.531 -4.399 1.429) 4.872 3.647 ( 24.849 -4.017 1.219) 25.201 3.807 ( 19.712 -3.624 -1.224) 20.080 4.406 ( 12.408 27.944 0.272) 30.576 4.410 ( 12.877 24.934 -0.116) 28.063 6.480 ( -1.154 15.342 -0.362) 15.389 6.564 ( -4.253 17.240 0.508) 17.765 6.820 ( -0.490 6.417 0.094) 6.437 6.857 ( -1.736 7.825 -0.116) 8.016 7.404 ( -0.273 -3.122 0.965) 3.280 7.555 ( -3.783 -3.567 -0.449) 5.219 7.708 ( 7.473 2.656 -0.268) 7.936 8.024 ( 6.293 -3.385 -0.658) 7.176 8.885 ( 5.482 0.246 0.236) 5.492 9.023 ( -11.346 -0.270 0.325) 11.354 9.649 ( 6.450 -2.123 -0.215) 6.794 10.287 ( -3.712 -3.294 -0.164) 4.965 15.499 ( 15.106 -1.389 0.283) 15.172 15.621 ( 16.141 -1.833 -0.437) 16.250 ======================= Grid point 482 (219/256) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 18.080 2.248 -2.000) 18.328 1.865 ( 9.848 17.180 -0.723) 19.816 2.270 ( -3.969 20.276 -0.320) 20.664 2.323 ( -0.157 8.489 2.247) 8.783 3.171 ( 8.159 -4.841 -0.249) 9.491 3.253 ( 1.873 -4.789 0.754) 5.197 4.041 ( 13.897 -3.219 0.657) 14.280 4.125 ( 11.388 -3.386 -0.640) 11.898 4.608 ( 7.400 25.832 0.153) 26.871 4.623 ( 7.892 25.314 -0.016) 26.515 6.463 ( -0.407 13.873 -0.334) 13.883 6.499 ( -2.426 14.385 0.331) 14.592 6.813 ( -0.200 6.186 0.150) 6.191 6.829 ( -1.056 6.568 -0.137) 6.654 7.403 ( -0.001 -3.571 0.952) 3.695 7.483 ( -2.926 -3.790 -0.818) 4.858 7.861 ( 7.785 2.181 0.010) 8.084 8.089 ( -0.508 -1.631 -0.432) 1.763 8.881 ( -2.756 -0.069 0.414) 2.788 8.930 ( -0.459 -0.601 -0.131) 0.768 9.812 ( 9.447 -2.233 0.214) 9.709 10.176 ( -7.272 -2.790 -0.420) 7.800 15.753 ( 9.502 -1.294 0.254) 9.593 15.884 ( 9.663 -1.807 -0.331) 9.836 ======================= Grid point 483 (220/256) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 7.551 0.000) 7.551 1.980 ( 0.000 8.811 0.000) 8.811 2.221 ( -0.000 15.746 0.000) 15.746 2.273 ( 0.000 14.818 0.000) 14.818 3.262 ( -0.000 -4.880 0.000) 4.880 3.269 ( -0.000 -4.666 0.000) 4.666 4.182 ( -0.000 -2.945 0.000) 2.945 4.237 ( -0.000 -3.253 0.000) 3.253 4.684 ( -0.000 25.517 0.000) 25.517 4.704 ( -0.000 24.911 0.000) 24.911 6.463 ( -0.000 13.224 0.000) 13.224 6.471 ( 0.000 13.634 0.000) 13.634 6.813 ( 0.000 6.425 0.000) 6.425 6.816 ( -0.000 5.875 -0.000) 5.875 7.407 ( 0.000 -3.658 0.000) 3.658 7.449 ( -0.000 -3.862 0.000) 3.862 8.000 ( 0.000 0.780 0.000) 0.780 8.017 ( -0.000 0.565 0.000) 0.565 8.889 ( -0.000 -0.814 0.000) 0.814 8.895 ( 0.000 -0.461 0.000) 0.461 9.994 ( -0.000 -2.372 0.000) 2.372 10.017 ( 0.000 -2.522 0.000) 2.522 15.851 ( -0.000 -1.298 0.000) 1.298 15.982 ( -0.000 -1.782 0.000) 1.782 ======================= Grid point 489 (221/256) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.000 22.504 0.000) 22.504 1.098 ( 0.000 16.191 0.000) 16.191 1.891 ( 0.000 0.954 0.000) 0.954 1.941 ( 0.000 38.709 0.000) 38.709 2.290 ( -0.000 -2.318 0.000) 2.318 2.423 ( 0.000 -4.431 0.000) 4.431 3.053 ( 0.000 28.320 0.000) 28.320 3.394 ( 0.000 -1.477 0.000) 1.477 4.403 ( -0.000 33.354 0.000) 33.354 4.595 ( 0.000 40.100 0.000) 40.100 7.000 ( 0.000 22.748 0.000) 22.748 7.003 ( -0.000 12.920 -0.000) 12.920 7.246 ( 0.000 12.093 0.000) 12.093 7.312 ( 0.000 -2.574 -0.000) 2.574 7.324 ( -0.000 3.216 0.000) 3.216 7.467 ( 0.000 -5.882 -0.000) 5.882 7.743 ( -0.000 -4.143 0.000) 4.143 8.008 ( 0.000 26.550 0.000) 26.550 8.127 ( -0.000 -0.087 0.000) 0.087 9.519 ( 0.000 -1.873 0.000) 1.873 9.737 ( -0.000 -3.335 0.000) 3.335 10.024 ( 0.000 -9.215 0.000) 9.215 14.801 ( 0.000 -3.595 0.000) 3.595 14.851 ( -0.000 -3.315 0.000) 3.315 ======================= Grid point 491 (222/256) ======================= q-point: ( 0.10 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.917 17.182 0.153) 17.207 1.152 ( 22.453 16.440 -0.984) 27.846 2.021 ( 7.953 36.748 -0.067) 37.599 2.137 ( 20.106 0.551 0.491) 20.120 2.487 ( 19.289 -2.892 -0.193) 19.505 2.631 ( 18.930 -3.491 0.313) 19.252 3.033 ( -1.828 28.338 -0.046) 28.397 3.376 ( -1.421 -1.590 0.149) 2.138 4.496 ( 8.885 33.084 -0.071) 34.256 4.668 ( 7.099 39.470 0.135) 40.103 6.976 ( -2.129 21.730 -0.274) 21.836 7.003 ( -0.102 12.782 0.206) 12.784 7.203 ( -3.606 11.747 -1.713) 12.407 7.293 ( -2.473 4.648 1.776) 5.556 7.344 ( 0.380 0.854 0.431) 1.030 7.522 ( 4.439 -3.599 -0.204) 5.718 7.692 ( -11.223 9.580 -1.731) 14.857 7.730 ( -3.089 -2.872 1.748) 4.566 8.468 ( 17.884 7.757 0.729) 19.507 9.512 ( -0.481 -2.195 -0.252) 2.262 9.554 ( -13.872 -3.385 -0.290) 14.282 10.127 ( 6.186 -7.751 0.357) 9.924 14.896 ( 9.295 -3.247 -0.012) 9.846 14.958 ( 10.412 -3.237 -0.099) 10.903 ======================= Grid point 492 (223/256) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 11.995 16.265 -0.407) 20.214 1.619 ( 22.506 12.779 -0.723) 25.891 2.234 ( 12.645 30.318 0.068) 32.849 2.531 ( 17.834 0.131 0.139) 17.835 2.936 ( 7.234 15.407 0.112) 17.021 3.012 ( 20.243 2.326 -2.131) 20.487 3.080 ( 16.468 6.534 3.768) 18.113 3.395 ( 7.348 -3.106 -0.921) 8.030 4.725 ( 13.395 32.686 -0.061) 35.324 4.856 ( 11.043 37.960 0.171) 39.533 6.921 ( -3.145 20.498 -0.329) 20.741 7.000 ( -0.293 12.061 0.167) 12.066 7.114 ( -4.775 12.101 -2.518) 13.251 7.164 ( -9.992 19.009 2.893) 21.669 7.324 ( -1.218 -5.546 0.784) 5.732 7.553 ( -2.363 -1.126 -0.095) 2.620 7.634 ( 4.300 2.073 -0.832) 4.845 7.768 ( 6.707 -7.831 -0.272) 10.314 8.766 ( 11.481 5.574 0.793) 12.787 9.269 ( -13.944 -1.470 0.005) 14.021 9.516 ( 1.520 -3.015 -0.368) 3.396 10.209 ( 1.777 -6.485 0.167) 6.726 15.147 ( 15.243 -2.655 0.078) 15.473 15.235 ( 16.568 -3.172 -0.203) 16.870 ======================= Grid point 493 (224/256) ======================= q-point: ( 0.30 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 18.277 13.099 -0.989) 22.509 1.996 ( 15.225 14.788 -0.335) 21.227 2.470 ( 9.450 21.318 0.700) 23.329 2.774 ( 3.596 10.574 -0.309) 11.173 2.977 ( 6.694 16.292 0.094) 17.614 3.174 ( 1.512 1.524 0.794) 2.289 3.586 ( 25.199 -1.887 1.136) 25.295 3.728 ( 20.397 -3.780 -1.081) 20.773 4.993 ( 12.814 32.568 -0.005) 34.998 5.078 ( 10.579 36.202 0.119) 37.716 6.858 ( -2.982 19.309 -0.338) 19.541 6.964 ( -7.824 19.580 0.175) 21.086 6.992 ( -0.601 10.706 0.119) 10.724 7.047 ( -3.346 10.561 -0.170) 11.080 7.308 ( -0.659 -6.005 1.042) 6.130 7.471 ( -4.698 -3.519 -0.566) 5.897 7.758 ( 7.243 1.245 -0.282) 7.355 7.926 ( 7.792 -6.176 -0.489) 9.955 8.918 ( 3.862 3.670 0.344) 5.339 9.027 ( -9.857 0.979 0.289) 9.910 9.591 ( 6.276 -3.544 -0.137) 7.208 10.197 ( -2.917 -5.479 -0.113) 6.208 15.461 ( 15.337 -2.308 0.173) 15.510 15.570 ( 16.121 -3.194 -0.262) 16.437 ======================= Grid point 494 (225/256) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 17.285 10.471 -1.304) 20.251 2.205 ( 4.966 14.295 0.143) 15.133 2.582 ( 2.427 17.791 1.248) 17.999 2.742 ( -3.819 21.600 -0.282) 21.937 3.148 ( 7.403 5.206 0.069) 9.051 3.214 ( 2.370 2.968 0.150) 3.801 3.984 ( 13.989 -2.310 0.480) 14.186 4.058 ( 11.919 -3.012 -0.435) 12.302 5.206 ( 8.117 32.882 0.035) 33.870 5.248 ( 6.041 34.626 0.041) 35.149 6.809 ( -1.723 18.105 -0.274) 18.189 6.846 ( -4.048 17.861 0.248) 18.316 6.978 ( -0.693 9.752 -0.021) 9.777 6.999 ( -1.452 10.230 -0.161) 10.334 7.304 ( -0.002 -5.751 1.052) 5.847 7.386 ( -3.421 -5.071 -0.844) 6.175 7.897 ( 6.558 0.602 -0.030) 6.586 8.031 ( 2.142 -4.298 -0.384) 4.817 8.899 ( -2.954 2.361 0.374) 3.800 8.939 ( -1.121 2.242 -0.045) 2.507 9.751 ( 9.274 -3.631 0.209) 9.962 10.099 ( -6.708 -4.673 -0.340) 8.182 15.717 ( 9.516 -2.242 0.151) 9.778 15.833 ( 9.691 -3.176 -0.199) 10.200 ======================= Grid point 495 (226/256) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.000 10.342 0.000) 10.342 2.168 ( 0.000 10.024 0.000) 10.024 2.624 ( 0.000 21.171 0.000) 21.171 2.676 ( -0.000 21.654 0.000) 21.654 3.231 ( -0.000 3.827 0.000) 3.827 3.237 ( 0.000 3.632 0.000) 3.632 4.126 ( -0.000 -2.523 0.000) 2.523 4.177 ( -0.000 -2.598 0.000) 2.598 5.296 ( -0.000 33.777 0.000) 33.777 5.303 ( -0.000 33.312 0.000) 33.312 6.792 ( -0.000 17.461 0.000) 17.461 6.804 ( 0.000 17.305 0.000) 17.305 6.970 ( 0.000 9.063 0.000) 9.063 6.986 ( -0.000 10.456 -0.000) 10.456 7.310 ( 0.000 -5.291 0.000) 5.291 7.345 ( -0.000 -5.901 0.000) 5.901 8.001 ( 0.000 -1.291 0.000) 1.291 8.012 ( -0.000 -1.574 0.000) 1.574 8.892 ( -0.000 1.800 0.000) 1.800 8.907 ( -0.000 2.364 0.000) 2.364 9.929 ( -0.000 -3.890 0.000) 3.890 9.948 ( 0.000 -4.140 0.000) 4.140 15.814 ( -0.000 -2.265 0.000) 2.265 15.931 ( -0.000 -3.144 0.000) 3.144 ======================= Grid point 501 (227/256) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -0.000 25.265 0.000) 25.265 1.463 ( 0.000 18.959 0.000) 18.959 1.914 ( 0.000 0.664 0.000) 0.664 2.338 ( -0.000 -4.161 -0.000) 4.161 2.340 ( 0.000 7.279 0.000) 7.279 2.582 ( 0.000 22.388 0.000) 22.388 3.447 ( 0.000 8.903 0.000) 8.903 3.605 ( 0.000 25.706 0.000) 25.706 5.101 ( -0.000 35.221 0.000) 35.221 5.388 ( 0.000 38.094 0.000) 38.094 7.164 ( -0.000 -5.255 0.000) 5.255 7.229 ( -0.000 -2.897 0.000) 2.897 7.296 ( 0.000 9.909 0.000) 9.909 7.327 ( 0.000 -7.312 0.000) 7.312 7.347 ( -0.000 -1.445 0.000) 1.445 7.434 ( 0.000 7.190 0.000) 7.190 7.881 ( 0.000 19.777 0.000) 19.777 8.171 ( -0.000 5.031 0.000) 5.031 8.415 ( 0.000 14.061 0.000) 14.061 9.487 ( 0.000 -1.191 0.000) 1.191 9.654 ( -0.000 -4.922 0.000) 4.922 9.847 ( 0.000 -8.148 0.000) 8.148 14.732 ( 0.000 -3.243 0.000) 3.243 14.781 ( -0.000 -3.566 0.000) 3.566 ======================= Grid point 503 (228/256) ======================= q-point: ( 0.10 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 2.223 20.391 0.086) 20.512 1.544 ( 15.579 21.728 -0.593) 26.743 2.166 ( 21.259 1.344 0.561) 21.309 2.500 ( 16.254 4.313 -0.892) 16.840 2.549 ( 17.611 0.129 -0.300) 17.614 2.640 ( 6.960 17.281 1.377) 18.681 3.436 ( -0.697 10.169 -0.196) 10.195 3.588 ( -1.583 25.865 -0.098) 25.913 5.186 ( 8.277 34.797 -0.190) 35.769 5.452 ( 6.108 37.686 0.217) 38.179 7.156 ( -0.880 -5.323 -0.773) 5.451 7.172 ( -3.634 -3.602 0.796) 5.178 7.292 ( -0.423 10.095 -0.125) 10.105 7.388 ( 1.868 2.614 -1.064) 3.385 7.417 ( 1.101 2.710 0.194) 2.932 7.426 ( 6.997 -5.519 0.526) 8.927 7.832 ( -4.739 19.117 -0.252) 19.697 7.917 ( -16.188 9.832 0.203) 18.941 8.655 ( 14.849 9.465 0.646) 17.621 9.472 ( -1.390 -1.634 -0.052) 2.146 9.481 ( -11.904 -3.705 -0.232) 12.470 9.970 ( 7.094 -7.756 0.260) 10.514 14.831 ( 9.724 -3.090 -0.073) 10.203 14.888 ( 10.400 -3.605 0.040) 11.007 ======================= Grid point 504 (229/256) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 9.610 20.175 -0.192) 22.348 1.912 ( 19.913 16.649 -0.515) 25.961 2.578 ( 17.993 3.987 0.200) 18.431 2.725 ( 5.346 14.262 0.797) 15.252 2.956 ( 27.603 0.111 -0.380) 27.605 3.044 ( 23.937 0.262 0.832) 23.953 3.449 ( 3.632 12.017 -0.611) 12.569 3.554 ( -1.171 26.115 -0.126) 26.142 5.403 ( 12.857 33.957 -0.225) 36.311 5.614 ( 9.590 36.695 0.285) 37.929 7.096 ( -3.349 -3.600 -1.514) 5.145 7.136 ( -1.706 -4.990 1.639) 5.522 7.280 ( -0.677 9.199 -0.091) 9.225 7.343 ( -3.041 9.665 -0.839) 10.167 7.497 ( 0.614 9.252 0.988) 9.325 7.587 ( 6.362 -8.984 -0.716) 11.032 7.654 ( -6.003 2.735 0.195) 6.599 7.712 ( -5.210 17.377 -0.316) 18.144 8.915 ( 10.328 8.697 0.620) 13.517 9.249 ( -10.697 -0.236 0.018) 10.699 9.454 ( 0.249 -2.984 -0.173) 3.000 10.070 ( 2.744 -7.162 0.135) 7.671 15.092 ( 15.639 -2.812 -0.061) 15.890 15.165 ( 16.471 -3.711 0.021) 16.884 ======================= Grid point 505 (230/256) ======================= q-point: ( 0.30 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 14.510 17.039 -0.496) 22.385 2.273 ( 15.284 14.111 -0.234) 20.804 2.800 ( 2.476 7.701 1.007) 8.152 2.872 ( 10.788 4.554 0.342) 11.715 3.354 ( 7.644 15.927 -0.264) 17.669 3.401 ( 9.270 14.012 0.040) 16.801 3.626 ( 15.204 10.257 -0.120) 18.340 3.693 ( 18.533 3.002 -0.160) 18.775 5.664 ( 12.734 33.368 -0.132) 35.715 5.807 ( 9.172 35.562 0.202) 36.726 7.032 ( -2.644 -2.947 -1.311) 4.171 7.097 ( -2.649 -4.266 1.427) 5.221 7.263 ( -1.152 8.173 -0.354) 8.262 7.288 ( -2.088 11.364 -0.359) 11.560 7.366 ( -7.493 17.359 0.699) 18.921 7.508 ( -8.321 6.960 -0.311) 10.852 7.728 ( 7.351 -4.320 -0.205) 8.529 7.804 ( 7.991 -3.767 -0.277) 8.839 9.040 ( 2.073 8.061 0.318) 8.329 9.073 ( -6.813 3.734 0.196) 7.772 9.515 ( 6.277 -3.771 -0.034) 7.322 10.078 ( -1.948 -6.206 -0.055) 6.505 15.411 ( 15.487 -2.655 -0.022) 15.713 15.498 ( 16.046 -3.817 -0.010) 16.494 ======================= Grid point 506 (231/256) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 14.369 13.194 -0.759) 19.522 2.458 ( 2.016 11.677 0.346) 11.854 2.855 ( 4.078 7.687 1.097) 8.771 2.999 ( 1.859 6.675 -0.213) 6.933 3.454 ( 3.207 20.455 -0.354) 20.707 3.474 ( 2.566 22.733 -0.001) 22.877 3.959 ( 13.173 0.258 -0.112) 13.176 4.019 ( 12.225 -0.282 0.130) 12.229 5.881 ( 8.569 33.373 -0.022) 34.456 5.953 ( 4.943 34.616 0.070) 34.967 6.991 ( -1.049 -2.110 -1.109) 2.605 7.042 ( -2.976 -1.906 1.109) 3.704 7.227 ( -1.923 11.805 -0.504) 11.971 7.260 ( -1.233 11.564 0.764) 11.655 7.279 ( -1.303 11.809 -0.030) 11.881 7.360 ( -5.847 4.445 -0.431) 7.357 7.861 ( 5.669 -4.092 0.061) 6.992 7.924 ( 3.644 -5.515 -0.329) 6.618 8.985 ( -2.092 6.060 0.271) 6.416 9.032 ( -1.926 6.683 -0.009) 6.955 9.677 ( 9.149 -3.384 0.184) 9.756 9.999 ( -5.787 -5.071 -0.220) 7.697 15.666 ( 9.498 -2.662 -0.001) 9.864 15.761 ( 9.701 -3.840 -0.018) 10.434 ======================= Grid point 507 (232/256) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -0.000 10.876 0.000) 10.876 2.377 ( -0.000 10.288 0.000) 10.288 2.939 ( -0.000 10.005 0.000) 10.005 2.980 ( -0.000 8.622 0.000) 8.622 3.486 ( -0.000 20.430 0.000) 20.430 3.506 ( -0.000 21.752 0.000) 21.752 4.092 ( -0.000 -0.500 0.000) 0.500 4.144 ( -0.000 -0.397 0.000) 0.397 5.985 ( -0.000 33.922 0.000) 33.922 5.987 ( 0.000 33.855 0.000) 33.855 6.984 ( -0.000 -1.740 0.000) 1.740 7.006 ( 0.000 -0.496 0.000) 0.496 7.206 ( -0.000 13.341 0.000) 13.341 7.247 ( -0.000 14.623 0.000) 14.623 7.282 ( 0.000 5.838 0.000) 5.838 7.288 ( -0.000 3.179 -0.000) 3.179 7.936 ( 0.000 -4.868 0.000) 4.868 7.944 ( -0.000 -4.875 0.000) 4.875 8.976 ( -0.000 6.290 0.000) 6.290 9.000 ( -0.000 6.600 0.000) 6.600 9.848 ( -0.000 -3.835 0.000) 3.835 9.862 ( -0.000 -4.084 0.000) 4.084 15.764 ( -0.000 -2.697 0.000) 2.697 15.860 ( -0.000 -3.826 0.000) 3.826 ======================= Grid point 513 (233/256) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 16.689 0.000) 16.689 1.873 ( -0.000 23.724 0.000) 23.724 1.912 ( -0.000 -0.568 -0.000) 0.568 2.257 ( -0.000 -3.664 0.000) 3.664 2.547 ( 0.000 12.040 0.000) 12.040 2.810 ( 0.000 2.923 0.000) 2.923 3.760 ( 0.000 19.300 0.000) 19.300 4.055 ( 0.000 18.594 0.000) 18.594 5.782 ( -0.000 31.989 0.000) 31.989 6.091 ( 0.000 31.374 0.000) 31.374 7.022 ( -0.000 -6.841 0.000) 6.841 7.072 ( -0.000 -9.372 0.000) 9.372 7.153 ( 0.000 -8.801 0.000) 8.801 7.262 ( -0.000 -6.516 0.000) 6.516 7.524 ( 0.000 10.082 0.000) 10.082 7.545 ( 0.000 4.197 0.000) 4.197 8.327 ( -0.000 10.019 0.000) 10.019 8.337 ( 0.000 22.022 0.000) 22.022 8.613 ( 0.000 6.894 0.000) 6.894 9.473 ( 0.000 -0.214 0.000) 0.214 9.539 ( -0.000 -6.548 0.000) 6.548 9.704 ( 0.000 -6.082 0.000) 6.082 14.672 ( 0.000 -2.672 0.000) 2.672 14.711 ( -0.000 -3.310 0.000) 3.310 ======================= Grid point 515 (234/256) ======================= q-point: ( 0.10 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 3.344 17.229 -0.100) 17.550 1.991 ( 11.287 22.204 -0.498) 24.913 2.176 ( 23.379 0.346 0.645) 23.391 2.480 ( 20.736 -3.809 -0.973) 21.105 2.665 ( 11.557 10.044 0.212) 15.313 2.828 ( 1.875 2.331 0.814) 3.100 3.776 ( 1.634 20.132 0.103) 20.198 4.043 ( -1.023 18.929 -0.370) 18.960 5.858 ( 7.417 31.475 -0.267) 32.338 6.148 ( 5.503 31.146 0.263) 31.630 7.012 ( -1.205 -7.096 -1.294) 7.313 7.023 ( -2.994 -8.564 1.324) 9.168 7.239 ( 6.573 -9.535 -0.210) 11.583 7.315 ( 5.094 -6.585 -0.154) 8.327 7.515 ( -0.930 9.876 0.037) 9.920 7.534 ( -0.929 4.768 -0.029) 4.858 8.123 ( -13.853 10.668 0.028) 17.485 8.265 ( -6.904 20.409 -0.071) 21.545 8.822 ( 14.263 7.245 0.215) 15.999 9.411 ( -8.286 -3.059 -0.063) 8.833 9.451 ( -2.101 -0.441 0.016) 2.147 9.819 ( 7.067 -7.229 0.122) 10.110 14.774 ( 9.908 -2.617 -0.171) 10.249 14.817 ( 10.272 -3.378 0.171) 10.815 ======================= Grid point 516 (235/256) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 7.789 16.712 -0.186) 18.439 2.273 ( 15.976 18.761 -0.368) 24.644 2.664 ( 21.358 4.308 0.362) 21.791 2.815 ( 3.640 -2.039 -0.010) 4.172 2.994 ( 24.083 3.300 -1.044) 24.331 3.050 ( 24.836 1.407 1.491) 24.920 3.830 ( 3.893 21.352 0.124) 21.704 4.021 ( -0.717 19.825 -0.546) 19.845 6.054 ( 11.794 30.252 -0.370) 32.472 6.295 ( 8.685 30.571 0.369) 31.783 6.956 ( -2.823 -7.962 -1.781) 8.634 6.990 ( -1.817 -7.357 1.954) 7.826 7.377 ( 6.691 -9.196 -0.746) 11.397 7.444 ( 7.032 -6.814 -0.067) 9.792 7.490 ( -1.379 9.587 -0.131) 9.687 7.517 ( -0.356 4.702 0.201) 4.720 7.864 ( -11.591 12.614 0.157) 17.131 8.087 ( -10.062 16.883 -0.103) 19.654 9.091 ( 11.737 8.471 0.214) 14.476 9.266 ( -6.097 1.887 0.041) 6.383 9.404 ( -1.935 -1.835 -0.002) 2.667 9.928 ( 3.573 -6.917 0.074) 7.786 15.037 ( 15.812 -2.524 -0.248) 16.014 15.091 ( 16.290 -3.530 0.249) 16.670 ======================= Grid point 517 (236/256) ======================= q-point: ( 0.30 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 10.711 14.039 -0.255) 17.661 2.567 ( 11.732 14.471 -0.252) 18.631 2.854 ( 2.680 0.265 0.678) 2.777 2.984 ( 11.603 6.874 0.094) 13.486 3.494 ( 23.240 2.011 -0.386) 23.330 3.547 ( 21.827 2.310 0.428) 21.953 3.927 ( 5.664 20.066 -0.094) 20.851 4.026 ( 1.842 19.975 -0.290) 20.062 6.297 ( 12.069 28.914 -0.310) 31.333 6.470 ( 8.298 29.840 0.308) 30.974 6.902 ( -2.081 -7.482 -1.563) 7.922 6.955 ( -2.161 -7.360 1.747) 7.867 7.451 ( -1.945 7.314 0.100) 7.569 7.460 ( 1.259 2.067 -0.866) 2.571 7.500 ( -0.639 -2.431 0.111) 2.516 7.582 ( 1.816 -3.599 -0.382) 4.049 7.703 ( -1.745 11.290 0.452) 11.433 7.919 ( -5.415 11.597 -0.105) 12.799 9.167 ( -3.438 5.474 0.071) 6.464 9.215 ( -0.552 8.050 0.141) 8.070 9.453 ( 7.928 -1.802 0.048) 8.130 9.957 ( -0.624 -5.609 -0.002) 5.643 15.358 ( 15.535 -2.492 -0.234) 15.735 15.422 ( 15.919 -3.677 0.235) 16.340 ======================= Grid point 518 (237/256) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 10.502 10.278 -0.365) 14.699 2.654 ( -2.091 6.725 0.297) 7.049 2.984 ( 8.901 7.740 0.354) 11.800 3.136 ( 3.608 7.835 -0.065) 8.626 3.822 ( 8.914 9.789 -0.334) 13.243 3.850 ( 8.423 11.029 0.316) 13.882 4.051 ( 6.783 11.908 -0.602) 13.717 4.114 ( 6.377 12.533 0.400) 14.068 6.507 ( 8.636 27.979 -0.194) 29.282 6.601 ( 4.181 28.909 0.188) 29.210 6.871 ( -0.593 -6.830 -1.336) 6.984 6.917 ( -1.911 -6.983 1.450) 7.383 7.404 ( -2.439 6.609 0.049) 7.045 7.444 ( -3.791 1.405 -0.099) 4.045 7.471 ( 0.489 6.892 -0.373) 6.919 7.530 ( -3.034 8.343 -0.090) 8.878 7.784 ( 5.229 -0.745 0.320) 5.292 7.878 ( -0.116 2.756 -0.237) 2.768 9.120 ( -1.275 6.636 0.123) 6.758 9.170 ( -2.591 5.868 -0.016) 6.415 9.634 ( 9.032 -0.320 0.107) 9.039 9.908 ( -4.213 -3.713 -0.074) 5.616 15.614 ( 9.466 -2.523 -0.143) 9.798 15.684 ( 9.665 -3.758 0.144) 10.370 ======================= Grid point 519 (238/256) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 0.000 7.338 -0.000) 7.338 2.552 ( -0.000 6.649 0.000) 6.649 3.116 ( -0.000 9.185 0.000) 9.185 3.136 ( 0.000 8.544 0.000) 8.544 3.895 ( -0.000 15.939 0.000) 15.939 3.925 ( -0.000 15.561 0.000) 15.561 4.134 ( -0.000 6.618 0.000) 6.618 4.193 ( -0.000 7.322 0.000) 7.322 6.618 ( -0.000 27.884 0.000) 27.884 6.621 ( 0.000 27.915 0.000) 27.915 6.867 ( -0.000 -6.424 0.000) 6.424 6.896 ( 0.000 -6.395 0.000) 6.395 7.374 ( -0.000 4.711 0.000) 4.711 7.400 ( -0.000 4.236 0.000) 4.236 7.488 ( -0.000 8.486 0.000) 8.486 7.489 ( 0.000 9.404 -0.000) 9.404 7.858 ( -0.000 -0.736 0.000) 0.736 7.863 ( 0.000 -1.263 0.000) 1.263 9.111 ( 0.000 6.188 0.000) 6.188 9.139 ( -0.000 6.207 0.000) 6.207 9.790 ( 0.000 -1.569 0.000) 1.569 9.800 ( -0.000 -1.741 0.000) 1.741 15.710 ( -0.000 -2.548 0.000) 2.548 15.783 ( -0.000 -3.778 0.000) 3.778 ======================= Grid point 525 (239/256) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.000 0.153 0.000) 0.153 2.093 ( 0.000 4.920 0.000) 4.920 2.176 ( -0.000 5.989 0.000) 5.989 2.354 ( -0.000 18.534 0.000) 18.534 2.774 ( -0.000 8.326 0.000) 8.326 2.801 ( 0.000 -1.330 0.000) 1.330 4.108 ( 0.000 14.179 0.000) 14.179 4.339 ( 0.000 9.646 0.000) 9.646 6.357 ( -0.000 24.756 0.000) 24.756 6.625 ( 0.000 21.379 0.000) 21.379 6.910 ( -0.000 -4.300 0.001) 4.300 6.911 ( 0.000 -6.150 -0.001) 6.150 6.988 ( 0.000 -7.192 0.000) 7.192 7.113 ( 0.000 -7.626 0.000) 7.626 7.618 ( -0.000 3.351 0.000) 3.351 7.683 ( 0.000 5.637 0.000) 5.637 8.549 ( -0.000 11.676 0.000) 11.676 8.704 ( 0.000 14.054 0.000) 14.054 8.730 ( 0.000 5.372 0.000) 5.372 9.391 ( -0.000 -8.197 0.000) 8.197 9.475 ( 0.000 0.319 0.000) 0.319 9.604 ( 0.000 -3.958 0.000) 3.958 14.626 ( 0.000 -1.899 0.000) 1.899 14.652 ( -0.000 -2.590 0.000) 2.590 ======================= Grid point 527 (240/256) ======================= q-point: ( 0.10 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 9.894 4.550 -0.416) 10.898 2.245 ( 18.955 8.765 0.073) 20.883 2.367 ( 18.400 3.551 -0.310) 18.742 2.448 ( 10.169 11.991 -0.224) 15.724 2.816 ( 2.915 -1.568 0.410) 3.335 2.869 ( 8.554 8.302 0.184) 11.922 4.132 ( 2.332 14.328 0.342) 14.520 4.334 ( -0.248 10.081 -0.383) 10.092 6.422 ( 6.275 24.067 -0.313) 24.873 6.677 ( 4.947 20.774 0.167) 21.356 6.874 ( -2.246 -5.043 -0.369) 5.533 6.899 ( -1.149 -4.313 0.478) 4.489 7.060 ( 5.823 -7.923 -0.031) 9.833 7.165 ( 4.913 -7.465 0.039) 8.936 7.615 ( -0.253 3.583 0.040) 3.592 7.673 ( -0.936 5.694 -0.091) 5.771 8.335 ( -13.094 10.251 -0.100) 16.629 8.588 ( -10.535 11.242 0.017) 15.407 8.960 ( 14.694 6.843 0.018) 16.209 9.360 ( -2.303 -2.204 0.009) 3.188 9.452 ( -2.267 0.437 0.056) 2.309 9.682 ( 6.145 -6.320 -0.025) 8.815 14.728 ( 9.971 -1.882 -0.233) 10.149 14.756 ( 10.144 -2.648 0.243) 10.486 ======================= Grid point 528 (241/256) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 6.710 9.617 -0.244) 11.728 2.636 ( 11.073 15.477 -0.256) 19.032 2.732 ( 9.901 -3.335 -1.072) 10.502 2.765 ( 24.932 5.516 0.685) 25.544 3.038 ( 23.250 0.909 -0.128) 23.268 3.125 ( 17.910 5.029 0.677) 18.615 4.199 ( 4.126 14.514 0.475) 15.096 4.334 ( 0.517 11.238 -0.557) 11.264 6.585 ( 9.604 21.621 -0.496) 23.663 6.780 ( 2.187 6.397 -0.603) 6.788 6.859 ( 3.538 9.580 -0.216) 10.215 6.874 ( -1.308 -3.536 1.456) 4.042 7.190 ( 6.797 -8.644 -0.368) 11.002 7.288 ( 6.798 -7.323 0.254) 9.995 7.609 ( -0.401 4.162 0.038) 4.181 7.651 ( -1.014 5.908 -0.188) 5.998 8.098 ( -10.361 10.620 -0.124) 14.837 8.344 ( -12.838 8.583 0.007) 15.443 9.243 ( 13.281 6.291 -0.042) 14.696 9.314 ( -2.083 2.422 0.022) 3.195 9.389 ( -3.939 0.843 0.084) 4.029 9.796 ( 4.740 -6.176 0.003) 7.785 14.993 ( 15.860 -1.858 -0.351) 15.972 15.027 ( 16.113 -2.782 0.368) 16.356 ======================= Grid point 529 (242/256) ======================= q-point: ( 0.30 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 7.761 8.249 -0.142) 11.327 2.735 ( 0.631 -0.202 -0.145) 0.679 2.952 ( 13.140 11.945 -0.121) 17.758 3.141 ( 12.739 8.348 0.071) 15.231 3.532 ( 23.814 1.689 -0.582) 23.881 3.575 ( 23.302 1.107 0.659) 23.338 4.286 ( 4.200 14.371 0.260) 14.975 4.357 ( 1.984 12.511 -0.348) 12.673 6.751 ( 4.727 8.969 -0.187) 10.140 6.760 ( -1.626 -4.224 -0.925) 4.619 6.875 ( 3.337 6.138 0.734) 7.025 7.000 ( 7.616 20.506 0.550) 21.882 7.303 ( 4.237 -8.691 -0.468) 9.680 7.405 ( 4.146 -5.836 0.488) 7.175 7.602 ( -0.136 5.102 -0.013) 5.104 7.641 ( 0.204 5.804 -0.320) 5.816 7.935 ( -5.673 10.522 -0.064) 11.953 8.120 ( -8.981 7.726 -0.035) 11.847 9.265 ( -2.349 3.684 -0.039) 4.369 9.305 ( -4.209 0.554 0.053) 4.245 9.490 ( 10.903 5.616 0.015) 12.265 9.859 ( 1.535 -4.072 0.034) 4.352 15.314 ( 15.537 -1.855 -0.334) 15.650 15.355 ( 15.770 -2.934 0.351) 16.044 ======================= Grid point 530 (243/256) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 7.043 5.608 -0.117) 9.003 2.717 ( -2.267 0.429 0.036) 2.307 3.188 ( 9.904 11.519 -0.113) 15.191 3.311 ( 4.569 9.014 0.070) 10.107 3.913 ( 13.557 2.354 -0.206) 13.761 3.946 ( 12.966 1.963 0.181) 13.115 4.353 ( 2.375 13.793 -0.100) 13.996 4.406 ( 2.506 12.858 0.058) 13.100 6.734 ( -0.636 -4.509 -0.967) 4.655 6.763 ( -1.259 -3.751 0.831) 4.043 7.005 ( 6.986 15.686 -0.206) 17.173 7.116 ( 3.161 19.046 0.491) 19.313 7.355 ( 1.824 -5.338 -0.443) 5.659 7.438 ( -0.750 -0.950 0.447) 1.291 7.609 ( 0.882 5.949 -0.030) 6.014 7.647 ( -0.152 5.303 -0.241) 5.311 7.885 ( 0.442 7.929 0.102) 7.942 7.993 ( -4.321 6.465 -0.138) 7.778 9.219 ( -2.223 2.640 0.040) 3.452 9.239 ( -2.112 1.224 -0.038) 2.442 9.675 ( 7.729 3.941 -0.006) 8.676 9.858 ( -1.610 -1.230 0.041) 2.026 15.569 ( 9.448 -1.863 -0.202) 9.632 15.615 ( 9.585 -3.053 0.212) 10.062 ======================= Grid point 531 (244/256) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 0.000 2.599 0.000) 2.599 2.651 ( -0.000 2.983 0.000) 2.983 3.317 ( -0.000 10.270 0.000) 10.270 3.328 ( -0.000 9.990 0.000) 9.990 4.048 ( -0.000 3.020 0.000) 3.020 4.075 ( -0.000 2.841 0.000) 2.841 4.378 ( -0.000 13.236 0.000) 13.236 4.435 ( -0.000 12.472 0.000) 12.472 6.729 ( -0.000 -4.458 0.000) 4.458 6.746 ( 0.000 -4.709 0.000) 4.709 7.102 ( -0.000 15.106 0.000) 15.106 7.121 ( 0.000 15.737 0.000) 15.737 7.398 ( -0.000 -0.400 0.000) 0.400 7.401 ( 0.000 1.294 -0.000) 1.294 7.628 ( -0.000 6.033 0.000) 6.033 7.634 ( 0.000 5.881 0.000) 5.881 7.922 ( -0.000 5.601 0.000) 5.601 7.928 ( 0.000 5.841 0.000) 5.841 9.194 ( 0.000 1.868 0.000) 1.868 9.219 ( -0.000 1.565 0.000) 1.565 9.794 ( 0.000 1.705 0.000) 1.705 9.800 ( -0.000 1.529 0.000) 1.529 15.665 ( -0.000 -1.868 0.000) 1.868 15.713 ( -0.000 -3.098 0.000) 3.098 ======================= Grid point 537 (245/256) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.000 1.717 0.000) 1.717 2.047 ( 0.000 -3.951 0.000) 3.951 2.382 ( 0.000 10.348 0.000) 10.348 2.696 ( -0.000 14.045 0.000) 14.045 2.708 ( 0.000 -5.772 0.000) 5.772 2.916 ( 0.000 3.308 0.000) 3.308 4.323 ( 0.000 7.606 0.000) 7.606 4.449 ( 0.000 1.774 0.000) 1.774 6.737 ( -0.000 11.242 0.000) 11.242 6.837 ( -0.000 -0.952 0.000) 0.952 6.838 ( 0.000 -2.967 -0.000) 2.967 6.872 ( -0.000 -1.678 0.000) 1.678 6.950 ( 0.000 8.389 0.000) 8.389 6.993 ( -0.000 -2.775 0.000) 2.775 7.684 ( 0.000 3.162 0.000) 3.162 7.750 ( 0.000 1.115 0.000) 1.115 8.783 ( -0.000 11.509 0.000) 11.509 8.838 ( 0.000 5.201 0.000) 5.201 8.894 ( 0.000 4.974 0.000) 4.974 9.212 ( -0.000 -9.664 0.000) 9.664 9.485 ( 0.000 0.652 0.000) 0.652 9.541 ( 0.000 -2.415 0.000) 2.415 14.598 ( 0.000 -0.890 0.000) 0.890 14.610 ( 0.000 -1.525 0.000) 1.525 ======================= Grid point 539 (246/256) ======================= q-point: ( 0.10 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 17.071 2.142 -0.387) 17.209 2.282 ( 20.453 -4.162 -1.055) 20.899 2.468 ( 10.877 9.408 0.658) 14.396 2.737 ( 4.938 1.045 0.265) 5.054 2.779 ( 7.177 8.149 -0.077) 10.859 2.991 ( 7.278 2.845 0.012) 7.814 4.346 ( 2.242 7.383 0.318) 7.722 4.454 ( 0.650 2.281 -0.187) 2.379 6.774 ( 1.593 5.656 0.344) 5.886 6.804 ( -0.409 3.305 -1.339) 3.589 6.835 ( 0.032 -1.779 0.356) 1.815 6.931 ( 4.836 -3.980 0.256) 6.268 7.007 ( 5.551 9.241 0.149) 10.781 7.059 ( 5.842 -1.516 0.425) 6.051 7.682 ( -0.113 3.087 0.013) 3.090 7.742 ( -0.707 1.272 -0.116) 1.459 8.527 ( -13.384 8.706 -0.103) 15.967 8.713 ( -13.608 1.537 0.023) 13.695 9.099 ( 13.819 6.906 -0.010) 15.449 9.311 ( 5.108 -3.037 0.040) 5.943 9.468 ( -1.561 1.143 0.002) 1.935 9.572 ( 3.642 -4.560 -0.114) 5.837 14.700 ( 9.988 -0.874 -0.172) 10.027 14.714 ( 10.056 -1.568 0.186) 10.179 ======================= Grid point 540 (247/256) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 7.447 5.603 -0.363) 9.326 2.600 ( 7.626 -6.015 -0.806) 9.746 2.890 ( 26.739 6.106 0.311) 27.429 2.958 ( 12.353 12.906 -0.238) 17.867 3.038 ( 24.283 -1.078 0.141) 24.307 3.197 ( 13.781 1.187 0.160) 13.833 4.409 ( 3.928 6.883 0.433) 7.937 4.478 ( 1.880 3.511 -0.254) 3.991 6.748 ( -2.070 -0.936 -0.291) 2.291 6.782 ( -1.926 -1.034 0.085) 2.187 6.926 ( 6.802 6.370 -0.297) 9.324 7.043 ( 5.846 -5.078 -0.051) 7.743 7.154 ( 8.697 9.996 0.305) 13.253 7.206 ( 8.463 0.664 0.632) 8.513 7.680 ( -0.025 3.001 0.007) 3.001 7.726 ( -0.647 1.647 -0.200) 1.781 8.287 ( -10.492 8.093 -0.183) 13.252 8.441 ( -12.938 1.445 -0.002) 13.018 9.320 ( 5.159 1.696 0.042) 5.431 9.347 ( -0.888 0.680 -0.062) 1.120 9.456 ( 3.532 5.367 -0.028) 6.425 9.680 ( 6.323 -5.472 -0.057) 8.362 14.965 ( 15.870 -0.838 -0.254) 15.894 14.982 ( 15.982 -1.677 0.277) 16.072 ======================= Grid point 541 (248/256) ======================= q-point: ( 0.30 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 5.977 5.025 -0.172) 7.810 2.680 ( 2.193 -3.912 -0.353) 4.499 3.198 ( 11.744 10.650 -0.185) 15.856 3.291 ( 12.758 5.772 -0.037) 14.003 3.555 ( 24.514 0.659 -0.367) 24.526 3.587 ( 23.233 -0.250 0.398) 23.238 4.492 ( 3.988 6.495 0.213) 7.625 4.527 ( 2.999 4.733 -0.066) 5.603 6.707 ( -1.814 -0.877 -0.471) 2.069 6.741 ( -2.181 -1.880 0.418) 2.910 7.052 ( 5.462 2.933 -0.292) 6.207 7.140 ( 3.530 -5.470 -0.044) 6.510 7.333 ( 8.776 10.465 0.268) 13.660 7.380 ( 8.407 3.820 0.636) 9.256 7.685 ( 0.592 3.196 -0.006) 3.250 7.721 ( 0.226 2.046 -0.237) 2.072 8.117 ( -6.520 7.391 -0.203) 9.858 8.224 ( -8.688 2.547 -0.077) 9.054 9.296 ( -3.483 -0.431 0.002) 3.510 9.304 ( -3.099 0.319 -0.039) 3.116 9.616 ( 8.820 6.023 -0.052) 10.681 9.790 ( 4.342 -3.148 0.020) 5.363 15.287 ( 15.536 -0.802 -0.236) 15.559 15.307 ( 15.641 -1.810 0.257) 15.747 ======================= Grid point 542 (249/256) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 4.554 3.116 -0.064) 5.518 2.702 ( 0.083 -1.561 -0.184) 1.574 3.400 ( 8.119 8.724 -0.167) 11.919 3.466 ( 5.313 5.636 0.048) 7.746 3.947 ( 14.058 1.224 -0.195) 14.113 3.968 ( 13.705 0.385 0.133) 13.711 4.556 ( 2.285 6.561 -0.072) 6.948 4.586 ( 2.531 5.203 0.152) 5.788 6.679 ( -0.838 -1.045 -0.452) 1.414 6.702 ( -1.737 -1.907 0.441) 2.617 7.133 ( 2.771 -0.804 -0.160) 2.890 7.178 ( 0.493 -4.893 0.023) 4.918 7.485 ( 6.085 10.701 0.128) 12.311 7.519 ( 4.950 7.340 0.410) 8.862 7.704 ( 1.160 3.436 0.030) 3.627 7.728 ( 0.268 2.490 -0.172) 2.510 8.031 ( -2.063 6.048 -0.102) 6.391 8.094 ( -4.579 3.234 -0.153) 5.608 9.230 ( -2.677 -0.383 0.033) 2.705 9.245 ( -2.507 -0.539 -0.063) 2.565 9.761 ( 5.679 4.049 -0.046) 6.975 9.846 ( 1.268 -0.448 0.049) 1.346 15.542 ( 9.445 -0.776 -0.140) 9.478 15.564 ( 9.504 -1.918 0.153) 9.697 ======================= Grid point 543 (250/256) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.000 0.973 0.000) 0.973 2.684 ( -0.000 0.670 0.000) 0.670 3.498 ( 0.000 7.044 0.000) 7.044 3.504 ( -0.000 6.754 0.000) 6.754 4.089 ( -0.000 1.356 0.000) 1.356 4.107 ( -0.000 0.644 0.000) 0.644 4.579 ( -0.000 6.702 0.000) 6.702 4.613 ( -0.000 5.202 0.000) 5.202 6.672 ( -0.000 -1.285 0.000) 1.285 6.682 ( 0.000 -1.737 0.000) 1.737 7.165 ( -0.000 -2.961 0.000) 2.961 7.174 ( 0.000 -3.682 0.000) 3.682 7.557 ( -0.000 10.200 0.000) 10.200 7.562 ( 0.000 9.821 0.000) 9.821 7.722 ( -0.000 3.201 0.000) 3.201 7.726 ( 0.000 3.047 0.000) 3.047 8.028 ( -0.000 4.215 0.000) 4.215 8.034 ( 0.000 4.039 0.000) 4.039 9.202 ( -0.000 -0.363 0.000) 0.363 9.218 ( -0.000 -1.011 0.000) 1.011 9.837 ( 0.000 2.034 0.000) 2.034 9.840 ( -0.000 1.881 0.000) 1.881 15.638 ( -0.000 -0.767 0.000) 0.767 15.662 ( -0.000 -1.960 0.000) 1.960 ======================= Grid point 549 (251/256) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -0.000 -3.223 -0.000) 3.223 1.973 ( 0.000 3.223 0.000) 3.223 2.568 ( 0.000 -8.170 0.000) 8.170 2.568 ( 0.000 8.170 0.000) 8.170 2.895 ( 0.000 -5.583 0.000) 5.583 2.895 ( 0.000 5.583 0.000) 5.583 4.430 ( 0.000 -3.276 0.000) 3.276 4.430 ( 0.000 3.276 0.000) 3.276 6.803 ( 0.000 -0.651 0.000) 0.651 6.803 ( 0.000 0.651 0.000) 0.651 6.847 ( -0.000 -0.418 0.000) 0.418 6.847 ( -0.000 0.418 0.000) 0.418 7.022 ( -0.000 -1.498 0.000) 1.498 7.022 ( 0.000 1.498 0.000) 1.498 7.738 ( 0.000 -1.979 0.000) 1.979 7.738 ( 0.000 1.979 0.000) 1.979 8.918 ( -0.000 -2.057 0.000) 2.057 8.918 ( 0.000 2.057 0.000) 2.057 9.006 ( 0.000 -10.748 0.000) 10.748 9.006 ( -0.000 10.748 0.000) 10.748 9.504 ( 0.000 -1.330 0.000) 1.330 9.504 ( 0.000 1.330 0.000) 1.330 14.592 ( 0.000 -0.301 0.000) 0.301 14.592 ( 0.000 0.301 0.000) 0.301 ======================= Grid point 553 (252/256) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 18.916 -3.609 -0.623) 19.268 2.201 ( 18.916 3.609 -0.623) 19.268 2.633 ( 8.096 -6.976 0.363) 10.693 2.633 ( 8.096 6.976 0.363) 10.693 2.965 ( 6.776 -5.617 -0.089) 8.802 2.965 ( 6.776 5.617 -0.089) 8.802 4.445 ( 1.579 -2.798 0.098) 3.215 4.445 ( 1.579 2.798 0.098) 3.215 6.791 ( -1.471 -1.313 0.078) 1.973 6.791 ( -1.471 1.313 0.078) 1.973 6.879 ( 3.788 -1.405 -0.324) 4.053 6.879 ( 3.788 1.405 -0.324) 4.053 7.090 ( 6.242 -0.987 0.386) 6.331 7.090 ( 6.242 0.987 0.386) 6.331 7.734 ( -0.375 -1.790 -0.068) 1.830 7.734 ( -0.375 1.790 -0.068) 1.830 8.671 ( -14.064 -5.200 -0.030) 14.995 8.671 ( -14.064 5.200 -0.030) 14.995 9.226 ( 10.923 -5.474 0.014) 12.218 9.226 ( 10.923 5.474 0.014) 12.218 9.502 ( 0.361 -2.441 -0.084) 2.469 9.502 ( 0.361 2.441 -0.084) 2.469 14.694 ( 10.008 -0.329 0.008) 10.013 14.694 ( 10.008 0.329 0.008) 10.013 ======================= Grid point 555 (253/256) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 8.101 -5.545 -0.587) 9.835 2.483 ( 8.101 5.545 -0.587) 9.835 2.990 ( 25.612 -3.718 0.183) 25.881 2.990 ( 25.612 3.718 0.183) 25.881 3.151 ( 12.226 -5.991 -0.084) 13.615 3.151 ( 12.226 5.991 -0.084) 13.615 4.493 ( 3.116 -1.724 0.142) 3.564 4.493 ( 3.116 1.724 0.142) 3.564 6.754 ( -2.095 -1.193 0.017) 2.411 6.754 ( -2.095 1.193 0.017) 2.411 6.977 ( 5.410 -1.562 -0.238) 5.636 6.977 ( 5.410 1.562 -0.238) 5.636 7.250 ( 9.296 -0.399 0.480) 9.317 7.250 ( 9.296 0.399 0.480) 9.317 7.726 ( -0.235 -1.394 -0.110) 1.418 7.726 ( -0.235 1.394 -0.110) 1.418 8.412 ( -11.589 -4.086 -0.098) 12.288 8.412 ( -11.589 4.086 -0.098) 12.288 9.343 ( 0.197 -0.801 0.005) 0.825 9.343 ( 0.197 0.801 0.005) 0.825 9.570 ( 7.058 -5.643 -0.089) 9.037 9.570 ( 7.058 5.643 -0.089) 9.037 14.961 ( 15.902 -0.407 0.012) 15.907 14.961 ( 15.902 0.407 0.012) 15.907 ======================= Grid point 557 (254/256) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 4.332 -4.358 -0.309) 6.153 2.596 ( 4.332 4.358 -0.309) 6.153 3.335 ( 10.933 -2.277 -0.130) 11.169 3.335 ( 10.933 2.277 -0.130) 11.169 3.569 ( 24.805 -1.015 -0.013) 24.826 3.569 ( 24.805 1.015 -0.013) 24.826 4.563 ( 3.684 -0.856 0.124) 3.784 4.563 ( 3.684 0.856 0.124) 3.784 6.713 ( -2.025 -1.021 0.007) 2.267 6.713 ( -2.025 1.021 0.007) 2.267 7.070 ( 3.640 -1.347 -0.110) 3.883 7.070 ( 3.640 1.347 -0.110) 3.883 7.441 ( 9.317 -0.288 0.427) 9.331 7.441 ( 9.317 0.288 0.427) 9.331 7.729 ( 0.597 -1.075 -0.112) 1.235 7.729 ( 0.597 1.075 -0.112) 1.235 8.221 ( -7.527 -2.780 -0.169) 8.026 8.221 ( -7.527 2.780 -0.169) 8.026 9.297 ( -3.516 -0.498 -0.024) 3.551 9.297 ( -3.516 0.498 -0.024) 3.551 9.719 ( 6.809 -4.222 -0.033) 8.012 9.719 ( 6.809 4.222 -0.033) 8.012 15.283 ( 15.563 -0.497 0.011) 15.571 15.283 ( 15.563 0.497 0.011) 15.571 ======================= Grid point 559 (255/256) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 2.397 -2.286 -0.157) 3.316 2.662 ( 2.397 2.286 -0.157) 3.316 3.509 ( 6.356 -1.703 -0.069) 6.581 3.509 ( 6.356 1.703 -0.069) 6.581 3.965 ( 14.109 -0.585 -0.050) 14.121 3.965 ( 14.109 0.585 -0.050) 14.121 4.628 ( 2.502 -0.790 0.070) 2.625 4.628 ( 2.502 0.790 0.070) 2.625 6.678 ( -1.310 -0.663 0.003) 1.469 6.678 ( -1.310 0.663 0.003) 1.469 7.117 ( 1.263 -0.752 -0.025) 1.470 7.117 ( 1.263 0.752 -0.025) 1.470 7.601 ( 6.202 -0.560 0.263) 6.232 7.601 ( 6.202 0.560 0.263) 6.232 7.746 ( 0.880 -0.681 -0.048) 1.114 7.746 ( 0.880 0.681 -0.048) 1.114 8.111 ( -3.648 -1.682 -0.170) 4.021 8.111 ( -3.648 1.682 -0.170) 4.021 9.230 ( -2.811 -0.532 -0.014) 2.861 9.230 ( -2.811 0.532 -0.014) 2.861 9.824 ( 3.622 -2.054 -0.009) 4.164 9.824 ( 3.622 2.054 -0.009) 4.164 15.539 ( 9.459 -0.564 0.006) 9.475 15.539 ( 9.459 0.564 0.006) 9.475 ======================= Grid point 561 (256/256) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -0.000 -0.331 0.000) 0.331 2.687 ( -0.000 0.331 0.000) 0.331 3.574 ( -0.000 -0.156 0.000) 0.156 3.574 ( -0.000 0.156 0.000) 0.156 4.107 ( -0.000 -0.489 0.000) 0.489 4.107 ( -0.000 0.489 0.000) 0.489 4.654 ( -0.000 -0.903 0.000) 0.903 4.654 ( -0.000 0.903 0.000) 0.903 6.665 ( -0.000 -0.256 0.000) 0.256 6.665 ( -0.000 0.256 0.000) 0.256 7.128 ( -0.000 -0.151 0.000) 0.151 7.128 ( -0.000 0.151 0.000) 0.151 7.667 ( -0.000 -0.078 0.000) 0.078 7.667 ( -0.000 0.078 0.000) 0.078 7.755 ( 0.000 -0.093 0.000) 0.093 7.755 ( -0.000 0.093 0.000) 0.093 8.074 ( -0.000 -0.159 0.000) 0.159 8.074 ( -0.000 0.159 0.000) 0.159 9.200 ( -0.000 -0.413 0.000) 0.413 9.200 ( -0.000 0.413 0.000) 0.413 9.860 ( -0.000 -0.062 0.000) 0.062 9.860 ( -0.000 0.062 0.000) 0.062 15.636 ( -0.000 -0.587 0.000) 0.587 15.636 ( -0.000 0.587 0.000) 0.587 =================== 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 3/20160 10.0 364.272 287.884 41.411 0.000 5.813 0.000 3/20160 20.0 223.338 300.302 16.632 0.000 0.918 0.000 3/20160 30.0 136.801 225.942 8.167 0.000 0.173 0.000 3/20160 40.0 98.364 171.865 5.055 0.000 0.068 0.000 3/20160 50.0 74.849 132.854 3.568 0.000 0.039 0.000 3/20160 60.0 58.793 104.899 2.721 0.000 0.025 0.000 3/20160 70.0 47.532 85.053 2.184 0.000 0.019 0.000 3/20160 80.0 39.471 70.814 1.818 0.000 0.015 0.000 3/20160 90.0 33.560 60.366 1.556 0.000 0.013 0.000 3/20160 100.0 29.114 52.491 1.360 0.000 0.011 0.000 3/20160 110.0 25.686 46.398 1.208 0.000 0.010 0.000 3/20160 120.0 22.981 41.569 1.087 0.000 0.009 0.000 3/20160 130.0 20.801 37.658 0.989 0.000 0.009 0.000 3/20160 140.0 19.013 34.432 0.907 0.000 0.008 0.000 3/20160 150.0 17.521 31.727 0.839 0.000 0.008 0.000 3/20160 160.0 16.258 29.427 0.780 0.000 0.007 0.000 3/20160 170.0 15.176 27.447 0.729 0.000 0.007 0.000 3/20160 180.0 14.238 25.724 0.685 0.000 0.007 0.000 3/20160 190.0 13.417 24.212 0.646 0.000 0.006 0.000 3/20160 200.0 12.691 22.872 0.611 0.000 0.006 0.000 3/20160 210.0 12.046 21.678 0.580 0.000 0.006 0.000 3/20160 220.0 11.467 20.606 0.552 0.000 0.006 0.000 3/20160 230.0 10.945 19.637 0.526 0.000 0.005 0.000 3/20160 240.0 10.472 18.759 0.503 0.000 0.005 0.000 3/20160 250.0 10.040 17.957 0.482 0.000 0.005 0.000 3/20160 260.0 9.644 17.223 0.463 0.000 0.005 0.000 3/20160 270.0 9.280 16.548 0.445 0.000 0.005 0.000 3/20160 280.0 8.944 15.925 0.428 0.000 0.005 0.000 3/20160 290.0 8.633 15.349 0.413 0.000 0.004 0.000 3/20160 300.0 8.344 14.813 0.399 0.000 0.004 0.000 3/20160 310.0 8.074 14.315 0.386 0.000 0.004 0.000 3/20160 320.0 7.822 13.850 0.373 0.000 0.004 0.000 3/20160 330.0 7.586 13.414 0.362 0.000 0.004 0.000 3/20160 340.0 7.364 13.006 0.351 0.000 0.004 0.000 3/20160 350.0 7.155 12.622 0.340 0.000 0.004 0.000 3/20160 360.0 6.959 12.260 0.331 0.000 0.004 0.000 3/20160 370.0 6.773 11.919 0.322 0.000 0.004 0.000 3/20160 380.0 6.597 11.597 0.313 0.000 0.003 0.000 3/20160 390.0 6.430 11.292 0.305 0.000 0.003 0.000 3/20160 400.0 6.271 11.003 0.297 0.000 0.003 0.000 3/20160 410.0 6.121 10.728 0.290 0.000 0.003 0.000 3/20160 420.0 5.977 10.467 0.283 0.000 0.003 0.000 3/20160 430.0 5.841 10.219 0.276 0.000 0.003 0.000 3/20160 440.0 5.710 9.982 0.270 0.000 0.003 0.000 3/20160 450.0 5.586 9.756 0.263 0.000 0.003 0.000 3/20160 460.0 5.467 9.540 0.258 0.000 0.003 0.000 3/20160 470.0 5.352 9.334 0.252 0.000 0.003 0.000 3/20160 480.0 5.243 9.136 0.247 0.000 0.003 0.000 3/20160 490.0 5.138 8.947 0.242 0.000 0.003 0.000 3/20160 500.0 5.037 8.765 0.237 0.000 0.003 0.000 3/20160 510.0 4.941 8.591 0.232 0.000 0.003 0.000 3/20160 520.0 4.848 8.424 0.228 0.000 0.003 0.000 3/20160 530.0 4.758 8.263 0.223 0.000 0.003 0.000 3/20160 540.0 4.672 8.108 0.219 0.000 0.002 0.000 3/20160 550.0 4.588 7.959 0.215 0.000 0.002 0.000 3/20160 560.0 4.508 7.815 0.211 0.000 0.002 0.000 3/20160 570.0 4.431 7.677 0.207 0.000 0.002 0.000 3/20160 580.0 4.356 7.543 0.204 0.000 0.002 0.000 3/20160 590.0 4.284 7.414 0.200 0.000 0.002 0.000 3/20160 600.0 4.214 7.289 0.197 0.000 0.002 0.000 3/20160 610.0 4.146 7.169 0.194 0.000 0.002 0.000 3/20160 620.0 4.080 7.052 0.191 0.000 0.002 0.000 3/20160 630.0 4.017 6.939 0.188 0.000 0.002 0.000 3/20160 640.0 3.955 6.830 0.185 0.000 0.002 0.000 3/20160 650.0 3.896 6.724 0.182 0.000 0.002 0.000 3/20160 660.0 3.838 6.622 0.179 0.000 0.002 0.000 3/20160 670.0 3.782 6.522 0.176 0.000 0.002 0.000 3/20160 680.0 3.727 6.426 0.174 0.000 0.002 0.000 3/20160 690.0 3.674 6.332 0.171 0.000 0.002 0.000 3/20160 700.0 3.623 6.241 0.169 0.000 0.002 0.000 3/20160 710.0 3.573 6.152 0.166 0.000 0.002 0.000 3/20160 720.0 3.524 6.067 0.164 0.000 0.002 0.000 3/20160 730.0 3.477 5.983 0.162 0.000 0.002 0.000 3/20160 740.0 3.431 5.902 0.160 0.000 0.002 0.000 3/20160 750.0 3.386 5.823 0.157 0.000 0.002 0.000 3/20160 760.0 3.342 5.746 0.155 0.000 0.002 0.000 3/20160 770.0 3.300 5.671 0.153 0.000 0.002 0.000 3/20160 780.0 3.258 5.598 0.151 0.000 0.002 0.000 3/20160 790.0 3.218 5.526 0.149 0.000 0.002 0.000 3/20160 800.0 3.178 5.457 0.148 0.000 0.002 0.000 3/20160 810.0 3.140 5.389 0.146 0.000 0.002 0.000 3/20160 820.0 3.102 5.324 0.144 0.000 0.002 0.000 3/20160 830.0 3.065 5.259 0.142 0.000 0.002 0.000 3/20160 840.0 3.030 5.196 0.140 0.000 0.002 0.000 3/20160 850.0 2.995 5.135 0.139 0.000 0.002 0.000 3/20160 860.0 2.960 5.075 0.137 0.000 0.002 0.000 3/20160 870.0 2.927 5.017 0.136 0.000 0.002 0.000 3/20160 880.0 2.894 4.959 0.134 0.000 0.002 0.000 3/20160 890.0 2.862 4.903 0.133 0.000 0.002 0.000 3/20160 900.0 2.831 4.849 0.131 0.000 0.002 0.000 3/20160 910.0 2.800 4.795 0.130 0.000 0.001 0.000 3/20160 920.0 2.771 4.743 0.128 0.000 0.001 0.000 3/20160 930.0 2.741 4.692 0.127 0.000 0.001 0.000 3/20160 940.0 2.713 4.642 0.125 0.000 0.001 0.000 3/20160 950.0 2.685 4.593 0.124 0.000 0.001 0.000 3/20160 960.0 2.657 4.545 0.123 0.000 0.001 0.000 3/20160 970.0 2.630 4.498 0.122 0.000 0.001 0.000 3/20160 980.0 2.604 4.452 0.120 0.000 0.001 0.000 3/20160 990.0 2.578 4.407 0.119 0.000 0.001 0.000 3/20160 1000.0 2.552 4.363 0.118 0.000 0.001 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m10146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:39:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|