----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:15:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.178105530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.883067880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): *1 S 0.61799045387949 0.75000000000000 0.18030713676897 32.065 2 S 0.38200954612051 0.25000000000000 0.81969286323103 32.065 3 S 0.11799045387949 0.75000000000000 0.31969286323103 32.065 4 S 0.88200954612051 0.25000000000000 0.68030713676897 32.065 *5 S 0.13785882570198 0.25000000000000 0.09857399087196 32.065 6 S 0.36214117429802 0.75000000000000 0.59857399087196 32.065 7 S 0.63785882570198 0.25000000000000 0.40142600912804 32.065 8 S 0.86214117429802 0.75000000000000 0.90142600912804 32.065 *9 Cu 0.24590459372955 0.25000000000000 0.67049572244018 63.546 10 Cu 0.74590459372955 0.25000000000000 0.82950427755982 63.546 11 Cu 0.75409540627045 0.75000000000000 0.32950427755981 63.546 12 Cu 0.25409540627045 0.75000000000000 0.17049572244018 63.546 *13 Bi 0.72878833199240 0.25000000000000 0.05882583064471 208.980 14 Bi 0.27121166800760 0.75000000000000 0.94117416935529 208.980 15 Bi 0.22878833199240 0.25000000000000 0.44117416935529 208.980 16 Bi 0.77121166800760 0.75000000000000 0.55882583064471 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.178105530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.883067880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): *1 S 0.61799045387949 0.75000000000000 0.18030713676897 32.065 > 1 2 S 0.38200954612051 0.25000000000000 0.81969286323103 32.065 > 2 3 S 0.11799045387949 0.75000000000000 0.31969286323103 32.065 > 3 4 S 0.88200954612051 0.25000000000000 0.68030713676897 32.065 > 4 *5 S 0.13785882570198 0.25000000000000 0.09857399087196 32.065 > 5 6 S 0.36214117429802 0.75000000000000 0.59857399087196 32.065 > 6 7 S 0.63785882570198 0.25000000000000 0.40142600912804 32.065 > 7 8 S 0.86214117429802 0.75000000000000 0.90142600912804 32.065 > 8 *9 Cu 0.24590459372955 0.25000000000000 0.67049572244018 63.546 > 9 10 Cu 0.74590459372955 0.25000000000000 0.82950427755982 63.546 > 10 11 Cu 0.75409540627045 0.75000000000000 0.32950427755981 63.546 > 11 12 Cu 0.25409540627045 0.75000000000000 0.17049572244018 63.546 > 12 *13 Bi 0.72878833199240 0.25000000000000 0.05882583064471 208.980 > 13 14 Bi 0.27121166800760 0.75000000000000 0.94117416935529 208.980 > 14 15 Bi 0.22878833199240 0.25000000000000 0.44117416935529 208.980 > 15 16 Bi 0.77121166800760 0.75000000000000 0.55882583064471 208.980 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.356211060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.532271520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): *1 S 0.30899522693974 0.18750000000000 0.18030713676897 32.065 > 1 2 S 0.80899522693974 0.18750000000000 0.18030713676897 32.065 > 1 3 S 0.30899522693974 0.43750000000000 0.18030713676897 32.065 > 1 4 S 0.80899522693974 0.43750000000000 0.18030713676897 32.065 > 1 5 S 0.30899522693974 0.68750000000000 0.18030713676897 32.065 > 1 6 S 0.80899522693974 0.68750000000000 0.18030713676897 32.065 > 1 7 S 0.30899522693974 0.93750000000000 0.18030713676897 32.065 > 1 8 S 0.80899522693974 0.93750000000000 0.18030713676897 32.065 > 1 9 S 0.19100477306026 0.06250000000000 0.81969286323103 32.065 > 2 10 S 0.69100477306026 0.06250000000000 0.81969286323103 32.065 > 2 11 S 0.19100477306026 0.31250000000000 0.81969286323103 32.065 > 2 12 S 0.69100477306026 0.31250000000000 0.81969286323103 32.065 > 2 13 S 0.19100477306026 0.56250000000000 0.81969286323103 32.065 > 2 14 S 0.69100477306026 0.56250000000000 0.81969286323103 32.065 > 2 15 S 0.19100477306026 0.81250000000000 0.81969286323103 32.065 > 2 16 S 0.69100477306026 0.81250000000000 0.81969286323103 32.065 > 2 17 S 0.05899522693974 0.18750000000000 0.31969286323103 32.065 > 3 18 S 0.55899522693974 0.18750000000000 0.31969286323103 32.065 > 3 19 S 0.05899522693974 0.43750000000000 0.31969286323103 32.065 > 3 20 S 0.55899522693974 0.43750000000000 0.31969286323103 32.065 > 3 21 S 0.05899522693974 0.68750000000000 0.31969286323103 32.065 > 3 22 S 0.55899522693974 0.68750000000000 0.31969286323103 32.065 > 3 23 S 0.05899522693974 0.93750000000000 0.31969286323103 32.065 > 3 24 S 0.55899522693974 0.93750000000000 0.31969286323103 32.065 > 3 25 S 0.44100477306026 0.06250000000000 0.68030713676897 32.065 > 4 26 S 0.94100477306026 0.06250000000000 0.68030713676897 32.065 > 4 27 S 0.44100477306026 0.31250000000000 0.68030713676897 32.065 > 4 28 S 0.94100477306026 0.31250000000000 0.68030713676897 32.065 > 4 29 S 0.44100477306026 0.56250000000000 0.68030713676897 32.065 > 4 30 S 0.94100477306026 0.56250000000000 0.68030713676897 32.065 > 4 31 S 0.44100477306026 0.81250000000000 0.68030713676897 32.065 > 4 32 S 0.94100477306026 0.81250000000000 0.68030713676897 32.065 > 4 *33 S 0.06892941285099 0.06250000000000 0.09857399087196 32.065 > 5 34 S 0.56892941285099 0.06250000000000 0.09857399087196 32.065 > 5 35 S 0.06892941285099 0.31250000000000 0.09857399087196 32.065 > 5 36 S 0.56892941285099 0.31250000000000 0.09857399087196 32.065 > 5 37 S 0.06892941285099 0.56250000000000 0.09857399087196 32.065 > 5 38 S 0.56892941285099 0.56250000000000 0.09857399087196 32.065 > 5 39 S 0.06892941285099 0.81250000000000 0.09857399087196 32.065 > 5 40 S 0.56892941285099 0.81250000000000 0.09857399087196 32.065 > 5 41 S 0.18107058714901 0.18750000000000 0.59857399087196 32.065 > 6 42 S 0.68107058714901 0.18750000000000 0.59857399087196 32.065 > 6 43 S 0.18107058714901 0.43750000000000 0.59857399087196 32.065 > 6 44 S 0.68107058714901 0.43750000000000 0.59857399087196 32.065 > 6 45 S 0.18107058714901 0.68750000000000 0.59857399087196 32.065 > 6 46 S 0.68107058714901 0.68750000000000 0.59857399087196 32.065 > 6 47 S 0.18107058714901 0.93750000000000 0.59857399087196 32.065 > 6 48 S 0.68107058714901 0.93750000000000 0.59857399087196 32.065 > 6 49 S 0.31892941285099 0.06250000000000 0.40142600912804 32.065 > 7 50 S 0.81892941285099 0.06250000000000 0.40142600912804 32.065 > 7 51 S 0.31892941285099 0.31250000000000 0.40142600912804 32.065 > 7 52 S 0.81892941285099 0.31250000000000 0.40142600912804 32.065 > 7 53 S 0.31892941285099 0.56250000000000 0.40142600912804 32.065 > 7 54 S 0.81892941285099 0.56250000000000 0.40142600912804 32.065 > 7 55 S 0.31892941285099 0.81250000000000 0.40142600912804 32.065 > 7 56 S 0.81892941285099 0.81250000000000 0.40142600912804 32.065 > 7 57 S 0.43107058714901 0.18750000000000 0.90142600912804 32.065 > 8 58 S 0.93107058714901 0.18750000000000 0.90142600912804 32.065 > 8 59 S 0.43107058714901 0.43750000000000 0.90142600912804 32.065 > 8 60 S 0.93107058714901 0.43750000000000 0.90142600912804 32.065 > 8 61 S 0.43107058714901 0.68750000000000 0.90142600912804 32.065 > 8 62 S 0.93107058714901 0.68750000000000 0.90142600912804 32.065 > 8 63 S 0.43107058714901 0.93750000000000 0.90142600912804 32.065 > 8 64 S 0.93107058714901 0.93750000000000 0.90142600912804 32.065 > 8 *65 Cu 0.12295229686477 0.06250000000000 0.67049572244018 63.546 > 9 66 Cu 0.62295229686477 0.06250000000000 0.67049572244018 63.546 > 9 67 Cu 0.12295229686477 0.31250000000000 0.67049572244018 63.546 > 9 68 Cu 0.62295229686477 0.31250000000000 0.67049572244018 63.546 > 9 69 Cu 0.12295229686477 0.56250000000000 0.67049572244018 63.546 > 9 70 Cu 0.62295229686477 0.56250000000000 0.67049572244018 63.546 > 9 71 Cu 0.12295229686477 0.81250000000000 0.67049572244018 63.546 > 9 72 Cu 0.62295229686477 0.81250000000000 0.67049572244018 63.546 > 9 73 Cu 0.37295229686477 0.06250000000000 0.82950427755982 63.546 > 10 74 Cu 0.87295229686477 0.06250000000000 0.82950427755982 63.546 > 10 75 Cu 0.37295229686477 0.31250000000000 0.82950427755982 63.546 > 10 76 Cu 0.87295229686477 0.31250000000000 0.82950427755982 63.546 > 10 77 Cu 0.37295229686477 0.56250000000000 0.82950427755982 63.546 > 10 78 Cu 0.87295229686477 0.56250000000000 0.82950427755982 63.546 > 10 79 Cu 0.37295229686477 0.81250000000000 0.82950427755982 63.546 > 10 80 Cu 0.87295229686477 0.81250000000000 0.82950427755982 63.546 > 10 81 Cu 0.37704770313523 0.18750000000000 0.32950427755981 63.546 > 11 82 Cu 0.87704770313523 0.18750000000000 0.32950427755981 63.546 > 11 83 Cu 0.37704770313523 0.43750000000000 0.32950427755981 63.546 > 11 84 Cu 0.87704770313523 0.43750000000000 0.32950427755981 63.546 > 11 85 Cu 0.37704770313523 0.68750000000000 0.32950427755981 63.546 > 11 86 Cu 0.87704770313523 0.68750000000000 0.32950427755981 63.546 > 11 87 Cu 0.37704770313523 0.93750000000000 0.32950427755981 63.546 > 11 88 Cu 0.87704770313523 0.93750000000000 0.32950427755981 63.546 > 11 89 Cu 0.12704770313523 0.18750000000000 0.17049572244018 63.546 > 12 90 Cu 0.62704770313523 0.18750000000000 0.17049572244018 63.546 > 12 91 Cu 0.12704770313523 0.43750000000000 0.17049572244018 63.546 > 12 92 Cu 0.62704770313523 0.43750000000000 0.17049572244018 63.546 > 12 93 Cu 0.12704770313523 0.68750000000000 0.17049572244018 63.546 > 12 94 Cu 0.62704770313523 0.68750000000000 0.17049572244018 63.546 > 12 95 Cu 0.12704770313523 0.93750000000000 0.17049572244018 63.546 > 12 96 Cu 0.62704770313523 0.93750000000000 0.17049572244018 63.546 > 12 *97 Bi 0.36439416599620 0.06250000000000 0.05882583064471 208.980 > 13 98 Bi 0.86439416599620 0.06250000000000 0.05882583064471 208.980 > 13 99 Bi 0.36439416599620 0.31250000000000 0.05882583064471 208.980 > 13 100 Bi 0.86439416599620 0.31250000000000 0.05882583064471 208.980 > 13 101 Bi 0.36439416599620 0.56250000000000 0.05882583064471 208.980 > 13 102 Bi 0.86439416599620 0.56250000000000 0.05882583064471 208.980 > 13 103 Bi 0.36439416599620 0.81250000000000 0.05882583064471 208.980 > 13 104 Bi 0.86439416599620 0.81250000000000 0.05882583064471 208.980 > 13 105 Bi 0.13560583400380 0.18750000000000 0.94117416935529 208.980 > 14 106 Bi 0.63560583400380 0.18750000000000 0.94117416935529 208.980 > 14 107 Bi 0.13560583400380 0.43750000000000 0.94117416935529 208.980 > 14 108 Bi 0.63560583400380 0.43750000000000 0.94117416935529 208.980 > 14 109 Bi 0.13560583400380 0.68750000000000 0.94117416935529 208.980 > 14 110 Bi 0.63560583400380 0.68750000000000 0.94117416935529 208.980 > 14 111 Bi 0.13560583400380 0.93750000000000 0.94117416935529 208.980 > 14 112 Bi 0.63560583400380 0.93750000000000 0.94117416935529 208.980 > 14 113 Bi 0.11439416599620 0.06250000000000 0.44117416935529 208.980 > 15 114 Bi 0.61439416599620 0.06250000000000 0.44117416935529 208.980 > 15 115 Bi 0.11439416599620 0.31250000000000 0.44117416935529 208.980 > 15 116 Bi 0.61439416599620 0.31250000000000 0.44117416935529 208.980 > 15 117 Bi 0.11439416599620 0.56250000000000 0.44117416935529 208.980 > 15 118 Bi 0.61439416599620 0.56250000000000 0.44117416935529 208.980 > 15 119 Bi 0.11439416599620 0.81250000000000 0.44117416935529 208.980 > 15 120 Bi 0.61439416599620 0.81250000000000 0.44117416935529 208.980 > 15 121 Bi 0.38560583400380 0.18750000000000 0.55882583064471 208.980 > 16 122 Bi 0.88560583400380 0.18750000000000 0.55882583064471 208.980 > 16 123 Bi 0.38560583400380 0.43750000000000 0.55882583064471 208.980 > 16 124 Bi 0.88560583400380 0.43750000000000 0.55882583064471 208.980 > 16 125 Bi 0.38560583400380 0.68750000000000 0.55882583064471 208.980 > 16 126 Bi 0.88560583400380 0.68750000000000 0.55882583064471 208.980 > 16 127 Bi 0.38560583400380 0.93750000000000 0.55882583064471 208.980 > 16 128 Bi 0.88560583400380 0.93750000000000 0.55882583064471 208.980 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.7011480 0.0000000 0.0000000 0.0000000 17.8374517 0.0000000 0.0000000 0.0000000 18.3238062 -------------------------- Born effective charges -------------------------- 1 S -1.2772666 0.0000000 0.6531944 0.0000000 -3.8695523 0.0000000 0.3060054 0.0000000 -1.4997569 2 S -1.2772666 0.0000000 0.6531944 0.0000000 -3.8695523 0.0000000 0.3060054 0.0000000 -1.4997569 3 S -1.2772666 0.0000000 -0.6531944 0.0000000 -3.8695523 0.0000000 -0.3060054 0.0000000 -1.4997569 4 S -1.2772666 0.0000000 -0.6531944 0.0000000 -3.8695523 0.0000000 -0.3060054 0.0000000 -1.4997569 5 S -2.5752294 0.0000000 0.6245560 0.0000000 -2.9306132 0.0000000 0.5331535 0.0000000 -1.8754575 6 S -2.5752294 0.0000000 -0.6245560 0.0000000 -2.9306132 0.0000000 -0.5331535 0.0000000 -1.8754575 7 S -2.5752294 0.0000000 -0.6245560 0.0000000 -2.9306132 0.0000000 -0.5331535 0.0000000 -1.8754575 8 S -2.5752294 0.0000000 0.6245560 0.0000000 -2.9306132 0.0000000 0.5331535 0.0000000 -1.8754575 9 Cu 0.5393405 0.0000000 0.3179527 0.0000000 1.2423200 0.0000000 -0.3652179 0.0000000 0.4449689 10 Cu 0.5393405 0.0000000 -0.3179527 0.0000000 1.2423200 0.0000000 0.3652179 0.0000000 0.4449689 11 Cu 0.5393405 0.0000000 0.3179527 0.0000000 1.2423200 0.0000000 -0.3652179 0.0000000 0.4449689 12 Cu 0.5393405 0.0000000 -0.3179527 0.0000000 1.2423200 0.0000000 0.3652179 0.0000000 0.4449689 13 Bi 3.3131556 0.0000000 -1.5262278 0.0000000 5.5578456 0.0000000 -1.4401470 0.0000000 2.9302456 14 Bi 3.3131556 0.0000000 -1.5262278 0.0000000 5.5578456 0.0000000 -1.4401470 0.0000000 2.9302456 15 Bi 3.3131556 0.0000000 1.5262278 0.0000000 5.5578456 0.0000000 1.4401470 0.0000000 2.9302456 16 Bi 3.3131556 0.0000000 1.5262278 0.0000000 5.5578456 0.0000000 1.4401470 0.0000000 2.9302456 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.701 Solver_block: 200 / 240 - Time: 1.719 Solver_block: 240 / 240 - Time: 0.761 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.209 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:15:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.178105530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.883067880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): 1 S 0.61799045387949 0.75000000000000 0.18030713676897 32.065 2 S 0.38200954612051 0.25000000000000 0.81969286323103 32.065 3 S 0.11799045387949 0.75000000000000 0.31969286323103 32.065 4 S 0.88200954612051 0.25000000000000 0.68030713676897 32.065 5 S 0.13785882570198 0.25000000000000 0.09857399087196 32.065 6 S 0.36214117429802 0.75000000000000 0.59857399087196 32.065 7 S 0.63785882570198 0.25000000000000 0.40142600912804 32.065 8 S 0.86214117429802 0.75000000000000 0.90142600912804 32.065 9 Cu 0.24590459372955 0.25000000000000 0.67049572244018 63.546 10 Cu 0.74590459372955 0.25000000000000 0.82950427755982 63.546 11 Cu 0.75409540627045 0.75000000000000 0.32950427755981 63.546 12 Cu 0.25409540627045 0.75000000000000 0.17049572244018 63.546 13 Bi 0.72878833199240 0.25000000000000 0.05882583064471 208.980 14 Bi 0.27121166800760 0.75000000000000 0.94117416935529 208.980 15 Bi 0.22878833199240 0.25000000000000 0.44117416935529 208.980 16 Bi 0.77121166800760 0.75000000000000 0.55882583064471 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.356211060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.532271520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): 1 S 0.30899522693974 0.18750000000000 0.18030713676897 32.065 > 1 2 S 0.80899522693974 0.18750000000000 0.18030713676897 32.065 > 1 3 S 0.30899522693974 0.43750000000000 0.18030713676897 32.065 > 1 4 S 0.80899522693974 0.43750000000000 0.18030713676897 32.065 > 1 5 S 0.30899522693974 0.68750000000000 0.18030713676897 32.065 > 1 6 S 0.80899522693974 0.68750000000000 0.18030713676897 32.065 > 1 7 S 0.30899522693974 0.93750000000000 0.18030713676897 32.065 > 1 8 S 0.80899522693974 0.93750000000000 0.18030713676897 32.065 > 1 9 S 0.19100477306026 0.06250000000000 0.81969286323103 32.065 > 9 10 S 0.69100477306026 0.06250000000000 0.81969286323103 32.065 > 9 11 S 0.19100477306026 0.31250000000000 0.81969286323103 32.065 > 9 12 S 0.69100477306026 0.31250000000000 0.81969286323103 32.065 > 9 13 S 0.19100477306026 0.56250000000000 0.81969286323103 32.065 > 9 14 S 0.69100477306026 0.56250000000000 0.81969286323103 32.065 > 9 15 S 0.19100477306026 0.81250000000000 0.81969286323103 32.065 > 9 16 S 0.69100477306026 0.81250000000000 0.81969286323103 32.065 > 9 17 S 0.05899522693974 0.18750000000000 0.31969286323103 32.065 > 17 18 S 0.55899522693974 0.18750000000000 0.31969286323103 32.065 > 17 19 S 0.05899522693974 0.43750000000000 0.31969286323103 32.065 > 17 20 S 0.55899522693974 0.43750000000000 0.31969286323103 32.065 > 17 21 S 0.05899522693974 0.68750000000000 0.31969286323103 32.065 > 17 22 S 0.55899522693974 0.68750000000000 0.31969286323103 32.065 > 17 23 S 0.05899522693974 0.93750000000000 0.31969286323103 32.065 > 17 24 S 0.55899522693974 0.93750000000000 0.31969286323103 32.065 > 17 25 S 0.44100477306026 0.06250000000000 0.68030713676897 32.065 > 25 26 S 0.94100477306026 0.06250000000000 0.68030713676897 32.065 > 25 27 S 0.44100477306026 0.31250000000000 0.68030713676897 32.065 > 25 28 S 0.94100477306026 0.31250000000000 0.68030713676897 32.065 > 25 29 S 0.44100477306026 0.56250000000000 0.68030713676897 32.065 > 25 30 S 0.94100477306026 0.56250000000000 0.68030713676897 32.065 > 25 31 S 0.44100477306026 0.81250000000000 0.68030713676897 32.065 > 25 32 S 0.94100477306026 0.81250000000000 0.68030713676897 32.065 > 25 33 S 0.06892941285099 0.06250000000000 0.09857399087196 32.065 > 33 34 S 0.56892941285099 0.06250000000000 0.09857399087196 32.065 > 33 35 S 0.06892941285099 0.31250000000000 0.09857399087196 32.065 > 33 36 S 0.56892941285099 0.31250000000000 0.09857399087196 32.065 > 33 37 S 0.06892941285099 0.56250000000000 0.09857399087196 32.065 > 33 38 S 0.56892941285099 0.56250000000000 0.09857399087196 32.065 > 33 39 S 0.06892941285099 0.81250000000000 0.09857399087196 32.065 > 33 40 S 0.56892941285099 0.81250000000000 0.09857399087196 32.065 > 33 41 S 0.18107058714901 0.18750000000000 0.59857399087196 32.065 > 41 42 S 0.68107058714901 0.18750000000000 0.59857399087196 32.065 > 41 43 S 0.18107058714901 0.43750000000000 0.59857399087196 32.065 > 41 44 S 0.68107058714901 0.43750000000000 0.59857399087196 32.065 > 41 45 S 0.18107058714901 0.68750000000000 0.59857399087196 32.065 > 41 46 S 0.68107058714901 0.68750000000000 0.59857399087196 32.065 > 41 47 S 0.18107058714901 0.93750000000000 0.59857399087196 32.065 > 41 48 S 0.68107058714901 0.93750000000000 0.59857399087196 32.065 > 41 49 S 0.31892941285099 0.06250000000000 0.40142600912804 32.065 > 49 50 S 0.81892941285099 0.06250000000000 0.40142600912804 32.065 > 49 51 S 0.31892941285099 0.31250000000000 0.40142600912804 32.065 > 49 52 S 0.81892941285099 0.31250000000000 0.40142600912804 32.065 > 49 53 S 0.31892941285099 0.56250000000000 0.40142600912804 32.065 > 49 54 S 0.81892941285099 0.56250000000000 0.40142600912804 32.065 > 49 55 S 0.31892941285099 0.81250000000000 0.40142600912804 32.065 > 49 56 S 0.81892941285099 0.81250000000000 0.40142600912804 32.065 > 49 57 S 0.43107058714901 0.18750000000000 0.90142600912804 32.065 > 57 58 S 0.93107058714901 0.18750000000000 0.90142600912804 32.065 > 57 59 S 0.43107058714901 0.43750000000000 0.90142600912804 32.065 > 57 60 S 0.93107058714901 0.43750000000000 0.90142600912804 32.065 > 57 61 S 0.43107058714901 0.68750000000000 0.90142600912804 32.065 > 57 62 S 0.93107058714901 0.68750000000000 0.90142600912804 32.065 > 57 63 S 0.43107058714901 0.93750000000000 0.90142600912804 32.065 > 57 64 S 0.93107058714901 0.93750000000000 0.90142600912804 32.065 > 57 65 Cu 0.12295229686477 0.06250000000000 0.67049572244018 63.546 > 65 66 Cu 0.62295229686477 0.06250000000000 0.67049572244018 63.546 > 65 67 Cu 0.12295229686477 0.31250000000000 0.67049572244018 63.546 > 65 68 Cu 0.62295229686477 0.31250000000000 0.67049572244018 63.546 > 65 69 Cu 0.12295229686477 0.56250000000000 0.67049572244018 63.546 > 65 70 Cu 0.62295229686477 0.56250000000000 0.67049572244018 63.546 > 65 71 Cu 0.12295229686477 0.81250000000000 0.67049572244018 63.546 > 65 72 Cu 0.62295229686477 0.81250000000000 0.67049572244018 63.546 > 65 73 Cu 0.37295229686477 0.06250000000000 0.82950427755982 63.546 > 73 74 Cu 0.87295229686477 0.06250000000000 0.82950427755982 63.546 > 73 75 Cu 0.37295229686477 0.31250000000000 0.82950427755982 63.546 > 73 76 Cu 0.87295229686477 0.31250000000000 0.82950427755982 63.546 > 73 77 Cu 0.37295229686477 0.56250000000000 0.82950427755982 63.546 > 73 78 Cu 0.87295229686477 0.56250000000000 0.82950427755982 63.546 > 73 79 Cu 0.37295229686477 0.81250000000000 0.82950427755982 63.546 > 73 80 Cu 0.87295229686477 0.81250000000000 0.82950427755982 63.546 > 73 81 Cu 0.37704770313523 0.18750000000000 0.32950427755981 63.546 > 81 82 Cu 0.87704770313523 0.18750000000000 0.32950427755981 63.546 > 81 83 Cu 0.37704770313523 0.43750000000000 0.32950427755981 63.546 > 81 84 Cu 0.87704770313523 0.43750000000000 0.32950427755981 63.546 > 81 85 Cu 0.37704770313523 0.68750000000000 0.32950427755981 63.546 > 81 86 Cu 0.87704770313523 0.68750000000000 0.32950427755981 63.546 > 81 87 Cu 0.37704770313523 0.93750000000000 0.32950427755981 63.546 > 81 88 Cu 0.87704770313523 0.93750000000000 0.32950427755981 63.546 > 81 89 Cu 0.12704770313523 0.18750000000000 0.17049572244018 63.546 > 89 90 Cu 0.62704770313523 0.18750000000000 0.17049572244018 63.546 > 89 91 Cu 0.12704770313523 0.43750000000000 0.17049572244018 63.546 > 89 92 Cu 0.62704770313523 0.43750000000000 0.17049572244018 63.546 > 89 93 Cu 0.12704770313523 0.68750000000000 0.17049572244018 63.546 > 89 94 Cu 0.62704770313523 0.68750000000000 0.17049572244018 63.546 > 89 95 Cu 0.12704770313523 0.93750000000000 0.17049572244018 63.546 > 89 96 Cu 0.62704770313523 0.93750000000000 0.17049572244018 63.546 > 89 97 Bi 0.36439416599620 0.06250000000000 0.05882583064471 208.980 > 97 98 Bi 0.86439416599620 0.06250000000000 0.05882583064471 208.980 > 97 99 Bi 0.36439416599620 0.31250000000000 0.05882583064471 208.980 > 97 100 Bi 0.86439416599620 0.31250000000000 0.05882583064471 208.980 > 97 101 Bi 0.36439416599620 0.56250000000000 0.05882583064471 208.980 > 97 102 Bi 0.86439416599620 0.56250000000000 0.05882583064471 208.980 > 97 103 Bi 0.36439416599620 0.81250000000000 0.05882583064471 208.980 > 97 104 Bi 0.86439416599620 0.81250000000000 0.05882583064471 208.980 > 97 105 Bi 0.13560583400380 0.18750000000000 0.94117416935529 208.980 > 105 106 Bi 0.63560583400380 0.18750000000000 0.94117416935529 208.980 > 105 107 Bi 0.13560583400380 0.43750000000000 0.94117416935529 208.980 > 105 108 Bi 0.63560583400380 0.43750000000000 0.94117416935529 208.980 > 105 109 Bi 0.13560583400380 0.68750000000000 0.94117416935529 208.980 > 105 110 Bi 0.63560583400380 0.68750000000000 0.94117416935529 208.980 > 105 111 Bi 0.13560583400380 0.93750000000000 0.94117416935529 208.980 > 105 112 Bi 0.63560583400380 0.93750000000000 0.94117416935529 208.980 > 105 113 Bi 0.11439416599620 0.06250000000000 0.44117416935529 208.980 > 113 114 Bi 0.61439416599620 0.06250000000000 0.44117416935529 208.980 > 113 115 Bi 0.11439416599620 0.31250000000000 0.44117416935529 208.980 > 113 116 Bi 0.61439416599620 0.31250000000000 0.44117416935529 208.980 > 113 117 Bi 0.11439416599620 0.56250000000000 0.44117416935529 208.980 > 113 118 Bi 0.61439416599620 0.56250000000000 0.44117416935529 208.980 > 113 119 Bi 0.11439416599620 0.81250000000000 0.44117416935529 208.980 > 113 120 Bi 0.61439416599620 0.81250000000000 0.44117416935529 208.980 > 113 121 Bi 0.38560583400380 0.18750000000000 0.55882583064471 208.980 > 121 122 Bi 0.88560583400380 0.18750000000000 0.55882583064471 208.980 > 121 123 Bi 0.38560583400380 0.43750000000000 0.55882583064471 208.980 > 121 124 Bi 0.88560583400380 0.43750000000000 0.55882583064471 208.980 > 121 125 Bi 0.38560583400380 0.68750000000000 0.55882583064471 208.980 > 121 126 Bi 0.88560583400380 0.68750000000000 0.55882583064471 208.980 > 121 127 Bi 0.38560583400380 0.93750000000000 0.55882583064471 208.980 > 121 128 Bi 0.88560583400380 0.93750000000000 0.55882583064471 208.980 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.7011480 0.0000000 0.0000000 0.0000000 17.8374517 0.0000000 0.0000000 0.0000000 18.3238062 -------------------------- Born effective charges -------------------------- 1 S -1.2772666 0.0000000 0.6531944 0.0000000 -3.8695523 0.0000000 0.3060054 0.0000000 -1.4997569 2 S -1.2772666 0.0000000 0.6531944 0.0000000 -3.8695523 0.0000000 0.3060054 0.0000000 -1.4997569 3 S -1.2772666 0.0000000 -0.6531944 0.0000000 -3.8695523 0.0000000 -0.3060054 0.0000000 -1.4997569 4 S -1.2772666 0.0000000 -0.6531944 0.0000000 -3.8695523 0.0000000 -0.3060054 0.0000000 -1.4997569 5 S -2.5752294 0.0000000 0.6245560 0.0000000 -2.9306132 0.0000000 0.5331535 0.0000000 -1.8754575 6 S -2.5752294 0.0000000 -0.6245560 0.0000000 -2.9306132 0.0000000 -0.5331535 0.0000000 -1.8754575 7 S -2.5752294 0.0000000 -0.6245560 0.0000000 -2.9306132 0.0000000 -0.5331535 0.0000000 -1.8754575 8 S -2.5752294 0.0000000 0.6245560 0.0000000 -2.9306132 0.0000000 0.5331535 0.0000000 -1.8754575 9 Cu 0.5393405 0.0000000 0.3179527 0.0000000 1.2423200 0.0000000 -0.3652179 0.0000000 0.4449689 10 Cu 0.5393405 0.0000000 -0.3179527 0.0000000 1.2423200 0.0000000 0.3652179 0.0000000 0.4449689 11 Cu 0.5393405 0.0000000 0.3179527 0.0000000 1.2423200 0.0000000 -0.3652179 0.0000000 0.4449689 12 Cu 0.5393405 0.0000000 -0.3179527 0.0000000 1.2423200 0.0000000 0.3652179 0.0000000 0.4449689 13 Bi 3.3131556 0.0000000 -1.5262278 0.0000000 5.5578456 0.0000000 -1.4401470 0.0000000 2.9302456 14 Bi 3.3131556 0.0000000 -1.5262278 0.0000000 5.5578456 0.0000000 -1.4401470 0.0000000 2.9302456 15 Bi 3.3131556 0.0000000 1.5262278 0.0000000 5.5578456 0.0000000 1.4401470 0.0000000 2.9302456 16 Bi 3.3131556 0.0000000 1.5262278 0.0000000 5.5578456 0.0000000 1.4401470 0.0000000 2.9302456 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 2026-01-08 05:15:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.178105530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.883067880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): 1 S 0.61799045387949 0.75000000000000 0.18030713676897 32.065 2 S 0.38200954612051 0.25000000000000 0.81969286323103 32.065 3 S 0.11799045387949 0.75000000000000 0.31969286323103 32.065 4 S 0.88200954612051 0.25000000000000 0.68030713676897 32.065 5 S 0.13785882570198 0.25000000000000 0.09857399087196 32.065 6 S 0.36214117429802 0.75000000000000 0.59857399087196 32.065 7 S 0.63785882570198 0.25000000000000 0.40142600912804 32.065 8 S 0.86214117429802 0.75000000000000 0.90142600912804 32.065 9 Cu 0.24590459372955 0.25000000000000 0.67049572244018 63.546 10 Cu 0.74590459372955 0.25000000000000 0.82950427755982 63.546 11 Cu 0.75409540627045 0.75000000000000 0.32950427755981 63.546 12 Cu 0.25409540627045 0.75000000000000 0.17049572244018 63.546 13 Bi 0.72878833199240 0.25000000000000 0.05882583064471 208.980 14 Bi 0.27121166800760 0.75000000000000 0.94117416935529 208.980 15 Bi 0.22878833199240 0.25000000000000 0.44117416935529 208.980 16 Bi 0.77121166800760 0.75000000000000 0.55882583064471 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.356211060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.532271520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.102471389999998 Atomic positions (fractional): 1 S 0.30899522693974 0.18750000000000 0.18030713676897 32.065 > 1 2 S 0.80899522693974 0.18750000000000 0.18030713676897 32.065 > 1 3 S 0.30899522693974 0.43750000000000 0.18030713676897 32.065 > 1 4 S 0.80899522693974 0.43750000000000 0.18030713676897 32.065 > 1 5 S 0.30899522693974 0.68750000000000 0.18030713676897 32.065 > 1 6 S 0.80899522693974 0.68750000000000 0.18030713676897 32.065 > 1 7 S 0.30899522693974 0.93750000000000 0.18030713676897 32.065 > 1 8 S 0.80899522693974 0.93750000000000 0.18030713676897 32.065 > 1 9 S 0.19100477306026 0.06250000000000 0.81969286323103 32.065 > 9 10 S 0.69100477306026 0.06250000000000 0.81969286323103 32.065 > 9 11 S 0.19100477306026 0.31250000000000 0.81969286323103 32.065 > 9 12 S 0.69100477306026 0.31250000000000 0.81969286323103 32.065 > 9 13 S 0.19100477306026 0.56250000000000 0.81969286323103 32.065 > 9 14 S 0.69100477306026 0.56250000000000 0.81969286323103 32.065 > 9 15 S 0.19100477306026 0.81250000000000 0.81969286323103 32.065 > 9 16 S 0.69100477306026 0.81250000000000 0.81969286323103 32.065 > 9 17 S 0.05899522693974 0.18750000000000 0.31969286323103 32.065 > 17 18 S 0.55899522693974 0.18750000000000 0.31969286323103 32.065 > 17 19 S 0.05899522693974 0.43750000000000 0.31969286323103 32.065 > 17 20 S 0.55899522693974 0.43750000000000 0.31969286323103 32.065 > 17 21 S 0.05899522693974 0.68750000000000 0.31969286323103 32.065 > 17 22 S 0.55899522693974 0.68750000000000 0.31969286323103 32.065 > 17 23 S 0.05899522693974 0.93750000000000 0.31969286323103 32.065 > 17 24 S 0.55899522693974 0.93750000000000 0.31969286323103 32.065 > 17 25 S 0.44100477306026 0.06250000000000 0.68030713676897 32.065 > 25 26 S 0.94100477306026 0.06250000000000 0.68030713676897 32.065 > 25 27 S 0.44100477306026 0.31250000000000 0.68030713676897 32.065 > 25 28 S 0.94100477306026 0.31250000000000 0.68030713676897 32.065 > 25 29 S 0.44100477306026 0.56250000000000 0.68030713676897 32.065 > 25 30 S 0.94100477306026 0.56250000000000 0.68030713676897 32.065 > 25 31 S 0.44100477306026 0.81250000000000 0.68030713676897 32.065 > 25 32 S 0.94100477306026 0.81250000000000 0.68030713676897 32.065 > 25 33 S 0.06892941285099 0.06250000000000 0.09857399087196 32.065 > 33 34 S 0.56892941285099 0.06250000000000 0.09857399087196 32.065 > 33 35 S 0.06892941285099 0.31250000000000 0.09857399087196 32.065 > 33 36 S 0.56892941285099 0.31250000000000 0.09857399087196 32.065 > 33 37 S 0.06892941285099 0.56250000000000 0.09857399087196 32.065 > 33 38 S 0.56892941285099 0.56250000000000 0.09857399087196 32.065 > 33 39 S 0.06892941285099 0.81250000000000 0.09857399087196 32.065 > 33 40 S 0.56892941285099 0.81250000000000 0.09857399087196 32.065 > 33 41 S 0.18107058714901 0.18750000000000 0.59857399087196 32.065 > 41 42 S 0.68107058714901 0.18750000000000 0.59857399087196 32.065 > 41 43 S 0.18107058714901 0.43750000000000 0.59857399087196 32.065 > 41 44 S 0.68107058714901 0.43750000000000 0.59857399087196 32.065 > 41 45 S 0.18107058714901 0.68750000000000 0.59857399087196 32.065 > 41 46 S 0.68107058714901 0.68750000000000 0.59857399087196 32.065 > 41 47 S 0.18107058714901 0.93750000000000 0.59857399087196 32.065 > 41 48 S 0.68107058714901 0.93750000000000 0.59857399087196 32.065 > 41 49 S 0.31892941285099 0.06250000000000 0.40142600912804 32.065 > 49 50 S 0.81892941285099 0.06250000000000 0.40142600912804 32.065 > 49 51 S 0.31892941285099 0.31250000000000 0.40142600912804 32.065 > 49 52 S 0.81892941285099 0.31250000000000 0.40142600912804 32.065 > 49 53 S 0.31892941285099 0.56250000000000 0.40142600912804 32.065 > 49 54 S 0.81892941285099 0.56250000000000 0.40142600912804 32.065 > 49 55 S 0.31892941285099 0.81250000000000 0.40142600912804 32.065 > 49 56 S 0.81892941285099 0.81250000000000 0.40142600912804 32.065 > 49 57 S 0.43107058714901 0.18750000000000 0.90142600912804 32.065 > 57 58 S 0.93107058714901 0.18750000000000 0.90142600912804 32.065 > 57 59 S 0.43107058714901 0.43750000000000 0.90142600912804 32.065 > 57 60 S 0.93107058714901 0.43750000000000 0.90142600912804 32.065 > 57 61 S 0.43107058714901 0.68750000000000 0.90142600912804 32.065 > 57 62 S 0.93107058714901 0.68750000000000 0.90142600912804 32.065 > 57 63 S 0.43107058714901 0.93750000000000 0.90142600912804 32.065 > 57 64 S 0.93107058714901 0.93750000000000 0.90142600912804 32.065 > 57 65 Cu 0.12295229686477 0.06250000000000 0.67049572244018 63.546 > 65 66 Cu 0.62295229686477 0.06250000000000 0.67049572244018 63.546 > 65 67 Cu 0.12295229686477 0.31250000000000 0.67049572244018 63.546 > 65 68 Cu 0.62295229686477 0.31250000000000 0.67049572244018 63.546 > 65 69 Cu 0.12295229686477 0.56250000000000 0.67049572244018 63.546 > 65 70 Cu 0.62295229686477 0.56250000000000 0.67049572244018 63.546 > 65 71 Cu 0.12295229686477 0.81250000000000 0.67049572244018 63.546 > 65 72 Cu 0.62295229686477 0.81250000000000 0.67049572244018 63.546 > 65 73 Cu 0.37295229686477 0.06250000000000 0.82950427755982 63.546 > 73 74 Cu 0.87295229686477 0.06250000000000 0.82950427755982 63.546 > 73 75 Cu 0.37295229686477 0.31250000000000 0.82950427755982 63.546 > 73 76 Cu 0.87295229686477 0.31250000000000 0.82950427755982 63.546 > 73 77 Cu 0.37295229686477 0.56250000000000 0.82950427755982 63.546 > 73 78 Cu 0.87295229686477 0.56250000000000 0.82950427755982 63.546 > 73 79 Cu 0.37295229686477 0.81250000000000 0.82950427755982 63.546 > 73 80 Cu 0.87295229686477 0.81250000000000 0.82950427755982 63.546 > 73 81 Cu 0.37704770313523 0.18750000000000 0.32950427755981 63.546 > 81 82 Cu 0.87704770313523 0.18750000000000 0.32950427755981 63.546 > 81 83 Cu 0.37704770313523 0.43750000000000 0.32950427755981 63.546 > 81 84 Cu 0.87704770313523 0.43750000000000 0.32950427755981 63.546 > 81 85 Cu 0.37704770313523 0.68750000000000 0.32950427755981 63.546 > 81 86 Cu 0.87704770313523 0.68750000000000 0.32950427755981 63.546 > 81 87 Cu 0.37704770313523 0.93750000000000 0.32950427755981 63.546 > 81 88 Cu 0.87704770313523 0.93750000000000 0.32950427755981 63.546 > 81 89 Cu 0.12704770313523 0.18750000000000 0.17049572244018 63.546 > 89 90 Cu 0.62704770313523 0.18750000000000 0.17049572244018 63.546 > 89 91 Cu 0.12704770313523 0.43750000000000 0.17049572244018 63.546 > 89 92 Cu 0.62704770313523 0.43750000000000 0.17049572244018 63.546 > 89 93 Cu 0.12704770313523 0.68750000000000 0.17049572244018 63.546 > 89 94 Cu 0.62704770313523 0.68750000000000 0.17049572244018 63.546 > 89 95 Cu 0.12704770313523 0.93750000000000 0.17049572244018 63.546 > 89 96 Cu 0.62704770313523 0.93750000000000 0.17049572244018 63.546 > 89 97 Bi 0.36439416599620 0.06250000000000 0.05882583064471 208.980 > 97 98 Bi 0.86439416599620 0.06250000000000 0.05882583064471 208.980 > 97 99 Bi 0.36439416599620 0.31250000000000 0.05882583064471 208.980 > 97 100 Bi 0.86439416599620 0.31250000000000 0.05882583064471 208.980 > 97 101 Bi 0.36439416599620 0.56250000000000 0.05882583064471 208.980 > 97 102 Bi 0.86439416599620 0.56250000000000 0.05882583064471 208.980 > 97 103 Bi 0.36439416599620 0.81250000000000 0.05882583064471 208.980 > 97 104 Bi 0.86439416599620 0.81250000000000 0.05882583064471 208.980 > 97 105 Bi 0.13560583400380 0.18750000000000 0.94117416935529 208.980 > 105 106 Bi 0.63560583400380 0.18750000000000 0.94117416935529 208.980 > 105 107 Bi 0.13560583400380 0.43750000000000 0.94117416935529 208.980 > 105 108 Bi 0.63560583400380 0.43750000000000 0.94117416935529 208.980 > 105 109 Bi 0.13560583400380 0.68750000000000 0.94117416935529 208.980 > 105 110 Bi 0.63560583400380 0.68750000000000 0.94117416935529 208.980 > 105 111 Bi 0.13560583400380 0.93750000000000 0.94117416935529 208.980 > 105 112 Bi 0.63560583400380 0.93750000000000 0.94117416935529 208.980 > 105 113 Bi 0.11439416599620 0.06250000000000 0.44117416935529 208.980 > 113 114 Bi 0.61439416599620 0.06250000000000 0.44117416935529 208.980 > 113 115 Bi 0.11439416599620 0.31250000000000 0.44117416935529 208.980 > 113 116 Bi 0.61439416599620 0.31250000000000 0.44117416935529 208.980 > 113 117 Bi 0.11439416599620 0.56250000000000 0.44117416935529 208.980 > 113 118 Bi 0.61439416599620 0.56250000000000 0.44117416935529 208.980 > 113 119 Bi 0.11439416599620 0.81250000000000 0.44117416935529 208.980 > 113 120 Bi 0.61439416599620 0.81250000000000 0.44117416935529 208.980 > 113 121 Bi 0.38560583400380 0.18750000000000 0.55882583064471 208.980 > 121 122 Bi 0.88560583400380 0.18750000000000 0.55882583064471 208.980 > 121 123 Bi 0.38560583400380 0.43750000000000 0.55882583064471 208.980 > 121 124 Bi 0.88560583400380 0.43750000000000 0.55882583064471 208.980 > 121 125 Bi 0.38560583400380 0.68750000000000 0.55882583064471 208.980 > 121 126 Bi 0.88560583400380 0.68750000000000 0.55882583064471 208.980 > 121 127 Bi 0.38560583400380 0.93750000000000 0.55882583064471 208.980 > 121 128 Bi 0.88560583400380 0.93750000000000 0.55882583064471 208.980 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.7011480 0.0000000 0.0000000 0.0000000 17.8374517 0.0000000 0.0000000 0.0000000 18.3238062 -------------------------- Born effective charges -------------------------- 1 S -1.2772666 0.0000000 0.6531944 0.0000000 -3.8695523 0.0000000 0.3060054 0.0000000 -1.4997569 2 S -1.2772666 0.0000000 0.6531944 0.0000000 -3.8695523 0.0000000 0.3060054 0.0000000 -1.4997569 3 S -1.2772666 0.0000000 -0.6531944 0.0000000 -3.8695523 0.0000000 -0.3060054 0.0000000 -1.4997569 4 S -1.2772666 0.0000000 -0.6531944 0.0000000 -3.8695523 0.0000000 -0.3060054 0.0000000 -1.4997569 5 S -2.5752294 0.0000000 0.6245560 0.0000000 -2.9306132 0.0000000 0.5331535 0.0000000 -1.8754575 6 S -2.5752294 0.0000000 -0.6245560 0.0000000 -2.9306132 0.0000000 -0.5331535 0.0000000 -1.8754575 7 S -2.5752294 0.0000000 -0.6245560 0.0000000 -2.9306132 0.0000000 -0.5331535 0.0000000 -1.8754575 8 S -2.5752294 0.0000000 0.6245560 0.0000000 -2.9306132 0.0000000 0.5331535 0.0000000 -1.8754575 9 Cu 0.5393405 0.0000000 0.3179527 0.0000000 1.2423200 0.0000000 -0.3652179 0.0000000 0.4449689 10 Cu 0.5393405 0.0000000 -0.3179527 0.0000000 1.2423200 0.0000000 0.3652179 0.0000000 0.4449689 11 Cu 0.5393405 0.0000000 0.3179527 0.0000000 1.2423200 0.0000000 -0.3652179 0.0000000 0.4449689 12 Cu 0.5393405 0.0000000 -0.3179527 0.0000000 1.2423200 0.0000000 0.3652179 0.0000000 0.4449689 13 Bi 3.3131556 0.0000000 -1.5262278 0.0000000 5.5578456 0.0000000 -1.4401470 0.0000000 2.9302456 14 Bi 3.3131556 0.0000000 -1.5262278 0.0000000 5.5578456 0.0000000 -1.4401470 0.0000000 2.9302456 15 Bi 3.3131556 0.0000000 1.5262278 0.0000000 5.5578456 0.0000000 1.4401470 0.0000000 2.9302456 16 Bi 3.3131556 0.0000000 1.5262278 0.0000000 5.5578456 0.0000000 1.4401470 0.0000000 2.9302456 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 315, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.738 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.048 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.124 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.589 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 16.403 0.000 0.000) 16.403 0.360 ( 16.902 0.000 0.000) 16.902 0.749 ( 35.486 0.000 0.000) 35.486 0.788 ( 4.552 0.000 0.000) 4.552 1.051 ( 1.750 0.000 0.000) 1.750 1.058 ( 0.862 0.000 0.000) 0.862 1.063 ( 0.612 0.000 0.000) 0.612 1.183 ( 5.160 0.000 0.000) 5.160 1.495 ( 3.081 0.000 0.000) 3.081 1.631 ( -4.441 0.000 0.000) 4.441 1.676 ( 2.810 0.000 0.000) 2.810 1.727 ( 1.230 0.000 0.000) 1.230 1.922 ( 1.867 0.000 0.000) 1.867 2.001 ( -1.613 0.000 0.000) 1.613 2.028 ( 0.947 0.000 0.000) 0.947 2.235 ( -5.704 0.000 0.000) 5.704 2.499 ( -4.186 0.000 0.000) 4.186 2.564 ( 7.124 0.000 0.000) 7.124 3.329 ( -5.032 0.000 0.000) 5.032 3.611 ( 0.884 0.000 0.000) 0.884 3.936 ( 3.181 0.000 0.000) 3.181 4.178 ( 2.459 0.000 0.000) 2.459 4.249 ( -1.806 0.000 0.000) 1.806 4.281 ( 0.377 0.000 0.000) 0.377 5.040 ( 0.853 0.000 0.000) 0.853 5.124 ( -1.924 0.000 0.000) 1.924 5.402 ( 2.424 0.000 0.000) 2.424 5.596 ( -3.041 0.000 0.000) 3.041 5.767 ( 1.291 0.000 0.000) 1.291 6.068 ( -1.198 0.000 0.000) 1.198 6.424 ( 1.758 0.000 0.000) 1.758 6.896 ( -2.576 0.000 0.000) 2.576 7.211 ( -1.462 0.000 0.000) 1.462 7.470 ( -4.882 0.000 0.000) 4.882 7.672 ( 4.534 0.000 0.000) 4.534 7.684 ( 2.574 0.000 0.000) 2.574 7.830 ( 4.593 0.000 0.000) 4.593 7.989 ( 1.806 0.000 0.000) 1.806 8.060 ( -1.081 0.000 0.000) 1.081 8.175 ( 2.090 0.000 0.000) 2.090 8.776 ( -4.048 0.000 0.000) 4.048 8.851 ( -0.888 0.000 0.000) 0.888 8.866 ( -0.076 0.000 0.000) 0.076 8.886 ( -0.762 0.000 0.000) 0.762 9.247 ( 1.829 0.000 0.000) 1.829 9.355 ( 1.909 0.000 0.000) 1.909 9.684 ( -1.787 0.000 0.000) 1.787 9.734 ( 0.570 0.000 0.000) 0.570 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 13.310 0.000 0.000) 13.310 0.669 ( 13.292 0.000 0.000) 13.292 0.899 ( 5.772 0.000 0.000) 5.772 1.076 ( 0.683 0.000 0.000) 0.683 1.078 ( 0.804 0.000 0.000) 0.804 1.148 ( 8.104 0.000 0.000) 8.104 1.237 ( 4.770 0.000 0.000) 4.770 1.437 ( 23.943 0.000 0.000) 23.943 1.542 ( -2.625 0.000 0.000) 2.625 1.577 ( 4.683 0.000 0.000) 4.683 1.715 ( 0.436 0.000 0.000) 0.436 1.755 ( 1.255 0.000 0.000) 1.255 1.965 ( -1.914 0.000 0.000) 1.914 1.972 ( 2.787 0.000 0.000) 2.787 2.051 ( 1.152 0.000 0.000) 1.152 2.100 ( -6.669 0.000 0.000) 6.669 2.393 ( -3.891 0.000 0.000) 3.891 2.770 ( 11.959 0.000 0.000) 11.959 3.213 ( -6.125 0.000 0.000) 6.125 3.589 ( -3.646 0.000 0.000) 3.646 4.005 ( 3.209 0.000 0.000) 3.209 4.203 ( -2.551 0.000 0.000) 2.551 4.242 ( 3.501 0.000 0.000) 3.501 4.294 ( 1.008 0.000 0.000) 1.008 5.062 ( 1.125 0.000 0.000) 1.125 5.092 ( -1.063 0.000 0.000) 1.063 5.439 ( 1.040 0.000 0.000) 1.040 5.524 ( -3.668 0.000 0.000) 3.668 5.805 ( 2.348 0.000 0.000) 2.348 6.034 ( -2.163 0.000 0.000) 2.163 6.475 ( 3.147 0.000 0.000) 3.147 6.825 ( -4.249 0.000 0.000) 4.249 7.183 ( -1.006 0.000 0.000) 1.006 7.373 ( -4.635 0.000 0.000) 4.635 7.745 ( 3.134 0.000 0.000) 3.134 7.754 ( 3.484 0.000 0.000) 3.484 7.944 ( 6.094 0.000 0.000) 6.094 8.040 ( 3.137 0.000 0.000) 3.137 8.055 ( 0.614 0.000 0.000) 0.614 8.207 ( 0.942 0.000 0.000) 0.942 8.688 ( -4.143 0.000 0.000) 4.143 8.810 ( -3.169 0.000 0.000) 3.169 8.849 ( -1.424 0.000 0.000) 1.424 8.860 ( -1.871 0.000 0.000) 1.871 9.307 ( 4.006 0.000 0.000) 4.006 9.417 ( 4.159 0.000 0.000) 4.159 9.640 ( -2.579 0.000 0.000) 2.579 9.733 ( -0.804 0.000 0.000) 0.804 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 10.483 0.000 0.000) 10.483 0.891 ( 8.655 0.000 0.000) 8.655 1.003 ( 4.288 0.000 0.000) 4.288 1.075 ( -1.017 0.000 0.000) 1.017 1.088 ( -0.036 0.000 0.000) 0.036 1.217 ( -5.077 0.000 0.000) 5.077 1.360 ( 12.007 0.000 0.000) 12.007 1.539 ( 3.109 0.000 0.000) 3.109 1.671 ( 4.329 0.000 0.000) 4.329 1.693 ( -2.374 0.000 0.000) 2.374 1.728 ( 1.227 0.000 0.000) 1.227 1.768 ( -0.200 0.000 0.000) 0.200 1.924 ( -1.983 0.000 0.000) 1.983 1.979 ( -5.540 0.000 0.000) 5.540 2.026 ( 2.381 0.000 0.000) 2.381 2.068 ( 0.373 0.000 0.000) 0.373 2.486 ( 14.594 0.000 0.000) 14.594 3.019 ( 12.140 0.000 0.000) 12.140 3.071 ( -8.653 0.000 0.000) 8.653 3.458 ( -8.930 0.000 0.000) 8.930 4.059 ( 2.266 0.000 0.000) 2.266 4.151 ( -2.545 0.000 0.000) 2.545 4.305 ( 2.383 0.000 0.000) 2.383 4.318 ( 1.193 0.000 0.000) 1.193 5.080 ( 0.559 0.000 0.000) 0.559 5.081 ( -0.092 0.000 0.000) 0.092 5.445 ( -0.289 0.000 0.000) 0.289 5.462 ( -2.136 0.000 0.000) 2.136 5.860 ( 2.983 0.000 0.000) 2.983 5.983 ( -2.814 0.000 0.000) 2.814 6.548 ( 4.045 0.000 0.000) 4.045 6.732 ( -4.787 0.000 0.000) 4.787 7.180 ( 0.761 0.000 0.000) 0.761 7.284 ( -4.014 0.000 0.000) 4.014 7.800 ( 2.098 0.000 0.000) 2.098 7.809 ( 1.777 0.000 0.000) 1.777 8.051 ( 3.912 0.000 0.000) 3.912 8.077 ( 1.319 0.000 0.000) 1.319 8.111 ( 3.610 0.000 0.000) 3.610 8.209 ( -0.788 0.000 0.000) 0.788 8.628 ( -1.262 0.000 0.000) 1.262 8.729 ( -4.457 0.000 0.000) 4.457 8.818 ( -1.412 0.000 0.000) 1.412 8.820 ( -1.717 0.000 0.000) 1.717 9.400 ( 4.858 0.000 0.000) 4.858 9.516 ( 5.342 0.000 0.000) 5.342 9.578 ( -3.581 0.000 0.000) 3.581 9.697 ( -2.826 0.000 0.000) 2.826 ======================= Grid point 4 (5/105) ======================= 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -4.183 0.000 0.000) 4.183 1.020 ( 4.183 0.000 0.000) 4.183 1.070 ( -1.856 0.000 0.000) 1.856 1.070 ( 1.856 0.000 0.000) 1.856 1.078 ( -8.179 0.000 0.000) 8.179 1.078 ( 8.179 0.000 0.000) 8.179 1.589 ( -6.718 0.000 0.000) 6.718 1.589 ( 6.718 0.000 0.000) 6.718 1.635 ( -0.220 0.000 0.000) 0.220 1.635 ( 0.220 0.000 0.000) 0.220 1.742 ( -2.459 0.000 0.000) 2.459 1.742 ( 2.459 0.000 0.000) 2.459 1.906 ( -1.011 0.000 0.000) 1.011 1.906 ( 1.011 0.000 0.000) 1.011 2.062 ( -1.052 0.000 0.000) 1.052 2.062 ( 1.052 0.000 0.000) 1.052 2.829 ( -15.708 0.000 0.000) 15.708 2.829 ( 15.708 0.000 0.000) 15.708 3.252 ( -10.936 0.000 0.000) 10.936 3.252 ( 10.936 0.000 0.000) 10.936 4.103 ( -2.194 0.000 0.000) 2.194 4.103 ( 2.194 0.000 0.000) 2.194 4.331 ( -0.203 0.000 0.000) 0.203 4.331 ( 0.203 0.000 0.000) 0.203 5.083 ( -0.131 0.000 0.000) 0.131 5.083 ( 0.131 0.000 0.000) 0.131 5.440 ( -0.175 0.000 0.000) 0.175 5.440 ( 0.175 0.000 0.000) 0.175 5.922 ( -3.117 0.000 0.000) 3.117 5.922 ( 3.117 0.000 0.000) 3.117 6.636 ( -4.585 0.000 0.000) 4.585 6.636 ( 4.585 0.000 0.000) 4.585 7.215 ( -2.701 0.000 0.000) 2.701 7.215 ( 2.701 0.000 0.000) 2.701 7.824 ( -0.249 0.000 0.000) 0.249 7.824 ( 0.249 0.000 0.000) 0.249 8.092 ( -0.302 0.000 0.000) 0.302 8.092 ( 0.302 0.000 0.000) 0.302 8.175 ( -2.556 0.000 0.000) 2.556 8.175 ( 2.556 0.000 0.000) 2.556 8.648 ( -2.999 0.000 0.000) 2.999 8.648 ( 2.999 0.000 0.000) 2.999 8.802 ( -0.017 0.000 0.000) 0.017 8.802 ( 0.017 0.000 0.000) 0.017 9.496 ( -4.497 0.000 0.000) 4.497 9.496 ( 4.497 0.000 0.000) 4.497 9.620 ( -4.687 0.000 0.000) 4.687 9.620 ( 4.687 0.000 0.000) 4.687 ======================= Grid point 9 (6/105) ======================= q-point: ( 0.00 0.08 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 18.777 0.000) 18.777 0.397 ( 0.000 20.155 0.000) 20.155 0.756 ( 0.000 35.111 0.000) 35.111 0.927 ( 0.000 15.342 0.000) 15.342 1.081 ( 0.000 4.394 0.000) 4.394 1.164 ( 0.000 9.540 0.000) 9.540 1.198 ( 0.000 12.868 0.000) 12.868 1.200 ( 0.000 7.473 0.000) 7.473 1.607 ( 0.000 -1.750 0.000) 1.750 1.671 ( 0.000 -0.601 0.000) 0.601 1.850 ( 0.000 12.514 0.000) 12.514 1.900 ( 0.000 -0.333 0.000) 0.333 1.909 ( 0.000 -7.556 0.000) 7.556 1.933 ( 0.000 7.765 0.000) 7.765 2.131 ( 0.000 9.113 0.000) 9.113 2.294 ( 0.000 0.370 0.000) 0.370 2.565 ( 0.000 0.532 0.000) 0.532 2.587 ( 0.000 10.258 0.000) 10.258 3.396 ( 0.000 0.754 0.000) 0.754 3.573 ( 0.000 -1.707 0.000) 1.707 3.865 ( 0.000 -1.922 0.000) 1.922 4.117 ( 0.000 -3.464 0.000) 3.464 4.250 ( 0.000 -1.915 0.000) 1.915 4.267 ( 0.000 -0.865 0.000) 0.865 5.061 ( 0.000 3.034 0.000) 3.034 5.135 ( 0.000 -1.110 0.000) 1.110 5.223 ( 0.000 -11.871 0.000) 11.871 5.284 ( 0.000 -17.046 0.000) 17.046 6.208 ( 0.000 11.903 0.000) 11.903 6.603 ( 0.000 16.268 0.000) 16.268 7.005 ( 0.000 5.877 0.000) 5.877 7.256 ( 0.000 3.117 0.000) 3.117 7.577 ( 0.000 -1.862 0.000) 1.862 7.584 ( 0.000 2.697 0.000) 2.697 7.609 ( 0.000 5.277 0.000) 5.277 7.661 ( 0.000 0.763 0.000) 0.763 7.667 ( 0.000 3.192 0.000) 3.192 7.792 ( 0.000 1.271 0.000) 1.271 8.105 ( 0.000 2.482 0.000) 2.482 8.163 ( 0.000 2.006 0.000) 2.006 8.691 ( 0.000 0.908 0.000) 0.908 8.826 ( 0.000 -2.762 0.000) 2.762 8.845 ( 0.000 -0.887 0.000) 0.887 8.869 ( 0.000 -2.497 0.000) 2.497 9.213 ( 0.000 -1.565 0.000) 1.565 9.321 ( 0.000 -1.484 0.000) 1.484 9.683 ( 0.000 -2.751 0.000) 2.751 9.684 ( 0.000 -2.739 0.000) 2.739 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.12 0.08 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 10.253 14.722 0.000) 17.941 0.610 ( 13.920 13.845 0.000) 19.633 0.960 ( 2.870 14.099 0.000) 14.388 0.986 ( 20.976 21.956 0.000) 30.366 1.083 ( 1.324 3.954 0.000) 4.170 1.180 ( 1.947 10.681 0.000) 10.857 1.209 ( 1.060 12.864 0.000) 12.908 1.240 ( 3.514 5.793 0.000) 6.775 1.614 ( -4.969 -0.168 0.000) 4.972 1.647 ( 3.088 -1.590 0.000) 3.474 1.804 ( -5.902 15.795 0.000) 16.861 1.859 ( 0.703 10.407 0.000) 10.431 1.901 ( 0.086 0.906 0.000) 0.910 1.940 ( 2.320 -6.447 0.000) 6.851 2.127 ( -0.227 9.244 0.000) 9.247 2.258 ( -4.020 1.397 0.000) 4.256 2.498 ( -5.093 0.274 0.000) 5.101 2.658 ( 6.131 8.630 0.000) 10.586 3.338 ( -4.799 0.979 0.000) 4.897 3.592 ( 0.734 -1.851 0.000) 1.992 3.909 ( 3.697 -2.030 0.000) 4.218 4.143 ( 2.484 -3.433 0.000) 4.238 4.230 ( -1.773 -1.794 0.000) 2.522 4.270 ( 0.285 -1.057 0.000) 1.095 5.064 ( 0.332 2.103 0.000) 2.130 5.106 ( -1.768 -1.687 0.000) 2.443 5.262 ( 2.578 -11.176 0.000) 11.470 5.305 ( 1.303 -17.222 0.000) 17.272 6.198 ( -0.945 12.094 0.000) 12.131 6.604 ( 0.177 14.785 0.000) 14.786 6.633 ( -36.335 41.329 0.000) 55.030 6.974 ( -4.014 5.787 0.000) 7.043 7.246 ( -0.798 3.916 0.000) 3.997 7.501 ( -4.505 2.803 0.000) 5.306 7.686 ( 4.230 2.252 0.000) 4.792 7.688 ( 2.363 0.577 0.000) 2.432 7.840 ( 4.517 0.937 0.000) 4.613 7.952 ( 5.021 -2.601 0.000) 5.655 8.085 ( -0.987 2.596 0.000) 2.777 8.189 ( 1.588 1.377 0.000) 2.102 8.754 ( -0.384 -1.105 0.000) 1.170 8.825 ( -0.490 -2.431 0.000) 2.480 8.842 ( 0.064 -1.660 0.000) 1.661 8.861 ( -0.844 -2.473 0.000) 2.613 9.230 ( 1.719 -1.676 0.000) 2.401 9.340 ( 1.905 -1.475 0.000) 2.409 9.650 ( -1.722 -2.982 0.000) 3.443 9.705 ( 0.597 -2.786 0.000) 2.849 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.08 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 10.450 8.698 0.000) 13.596 0.854 ( 10.466 13.557 0.000) 17.127 1.032 ( 4.393 10.775 0.000) 11.636 1.160 ( 5.039 5.580 0.000) 7.519 1.194 ( 1.728 9.883 0.000) 10.032 1.246 ( 3.432 11.628 0.000) 12.124 1.284 ( 0.996 4.137 0.000) 4.255 1.498 ( 21.135 6.428 0.000) 22.091 1.529 ( -2.073 1.362 0.000) 2.481 1.694 ( 0.944 -1.298 0.000) 1.605 1.765 ( 1.034 13.806 0.000) 13.845 1.868 ( 0.085 2.286 0.000) 2.287 1.907 ( 0.488 7.458 0.000) 7.474 1.975 ( 0.528 -4.719 0.000) 4.748 2.124 ( -0.176 8.470 0.000) 8.472 2.158 ( -4.780 3.019 0.000) 5.653 2.405 ( -1.925 1.887 0.000) 2.695 2.829 ( 10.252 5.754 0.000) 11.757 3.229 ( -5.785 1.628 0.000) 6.009 3.568 ( -3.489 -1.877 0.000) 3.962 3.987 ( 3.535 -1.595 0.000) 3.878 4.185 ( -2.434 -1.650 0.000) 2.940 4.208 ( 3.566 -3.356 0.000) 4.897 4.280 ( 0.721 -1.453 0.000) 1.623 5.075 ( 0.687 0.849 0.000) 1.092 5.081 ( -0.625 -0.953 0.000) 1.140 5.301 ( 1.126 -11.530 0.000) 11.585 5.316 ( -0.191 -15.472 0.000) 15.473 6.172 ( -1.631 12.674 0.000) 12.779 6.205 ( -10.280 30.461 0.000) 32.149 6.615 ( 0.942 11.392 0.000) 11.431 6.882 ( -4.927 4.187 0.000) 6.466 7.232 ( -0.386 5.382 0.000) 5.396 7.412 ( -4.214 3.869 0.000) 5.721 7.744 ( 2.863 0.191 0.000) 2.869 7.763 ( 3.182 1.470 0.000) 3.505 7.953 ( 6.029 0.699 0.000) 6.069 8.031 ( 3.610 -0.822 0.000) 3.702 8.082 ( 0.693 2.609 0.000) 2.700 8.211 ( 0.519 0.424 0.000) 0.671 8.698 ( -3.733 0.965 0.000) 3.856 8.792 ( -2.849 -1.670 0.000) 3.302 8.829 ( -1.411 -1.909 0.000) 2.374 8.834 ( -1.846 -2.524 0.000) 3.127 9.287 ( 3.887 -1.931 0.000) 4.340 9.401 ( 4.069 -1.528 0.000) 4.346 9.609 ( -2.401 -2.886 0.000) 3.755 9.705 ( -0.765 -2.750 0.000) 2.855 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.38 0.08 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 8.660 4.893 0.000) 9.946 1.031 ( 6.716 11.292 0.000) 13.139 1.126 ( 4.329 10.615 0.000) 11.464 1.205 ( -0.218 10.383 0.000) 10.385 1.212 ( -0.099 10.139 0.000) 10.139 1.241 ( -4.183 3.299 0.000) 5.328 1.397 ( 10.218 4.497 0.000) 11.164 1.546 ( 3.100 1.455 0.000) 3.424 1.681 ( -2.001 -0.866 0.000) 2.181 1.728 ( -0.043 0.535 0.000) 0.537 1.816 ( 3.647 11.931 0.000) 12.476 1.865 ( -0.280 -1.091 0.000) 1.126 1.910 ( -0.429 10.406 0.000) 10.415 1.943 ( -3.780 -2.770 0.000) 4.686 2.103 ( -0.204 2.289 0.000) 2.298 2.118 ( -0.292 6.200 0.000) 6.207 2.528 ( 14.196 4.648 0.000) 14.938 3.050 ( 11.079 3.200 0.000) 11.532 3.091 ( -8.536 2.127 0.000) 8.797 3.448 ( -8.067 -0.804 0.000) 8.107 4.046 ( 2.384 -1.239 0.000) 2.687 4.136 ( -2.406 -1.418 0.000) 2.793 4.273 ( 2.522 -3.177 0.000) 4.057 4.297 ( 0.813 -2.141 0.000) 2.290 5.079 ( 0.256 -0.216 0.000) 0.335 5.086 ( 0.335 0.267 0.000) 0.428 5.305 ( -0.601 -13.248 0.000) 13.262 5.308 ( -0.254 -11.828 0.000) 11.831 6.101 ( -1.602 21.018 0.000) 21.079 6.135 ( -1.848 13.852 0.000) 13.975 6.645 ( 2.140 7.861 0.000) 8.147 6.784 ( -4.568 4.022 0.000) 6.086 7.237 ( 0.924 6.198 0.000) 6.267 7.332 ( -3.565 4.964 0.000) 6.112 7.795 ( 2.019 -0.037 0.000) 2.020 7.810 ( 1.458 0.765 0.000) 1.646 8.062 ( 4.282 0.896 0.000) 4.375 8.105 ( 1.213 2.463 0.000) 2.745 8.106 ( 3.672 -0.411 0.000) 3.695 8.207 ( -0.972 -0.186 0.000) 0.990 8.637 ( -1.640 0.919 0.000) 1.880 8.718 ( -4.113 -1.031 0.000) 4.240 8.795 ( -1.688 -2.457 0.000) 2.981 8.796 ( -1.560 -2.148 0.000) 2.654 9.378 ( 4.788 -2.121 0.000) 5.237 9.497 ( 5.125 -1.824 0.000) 5.440 9.551 ( -3.407 -2.579 0.000) 4.273 9.670 ( -2.710 -2.595 0.000) 3.752 ======================= Grid point 13 (10/105) ======================= q-point: (-0.50 0.08 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -4.357 4.346 0.000) 6.154 1.078 ( 4.357 4.346 0.000) 6.154 1.176 ( -0.719 9.551 0.000) 9.578 1.176 ( 0.719 9.551 0.000) 9.578 1.197 ( -1.872 11.119 0.000) 11.276 1.197 ( 1.872 11.119 0.000) 11.276 1.600 ( -6.309 1.567 0.000) 6.500 1.600 ( 6.309 1.567 0.000) 6.500 1.628 ( -0.430 -0.414 0.000) 0.597 1.628 ( 0.430 -0.414 0.000) 0.597 1.868 ( -0.130 4.332 0.000) 4.334 1.868 ( 0.130 4.332 0.000) 4.334 1.888 ( -0.772 5.614 0.000) 5.667 1.888 ( 0.772 5.614 0.000) 5.667 2.112 ( -0.448 3.620 0.000) 3.648 2.112 ( 0.448 3.620 0.000) 3.648 2.853 ( -15.130 2.750 0.000) 15.378 2.853 ( 15.130 2.750 0.000) 15.378 3.263 ( -9.885 1.246 0.000) 9.963 3.263 ( 9.885 1.246 0.000) 9.963 4.090 ( -2.128 -1.211 0.000) 2.448 4.090 ( 2.128 -1.211 0.000) 2.448 4.303 ( -0.476 -2.793 0.000) 2.833 4.303 ( 0.476 -2.793 0.000) 2.833 5.086 ( -0.326 0.142 0.000) 0.356 5.086 ( 0.326 0.142 0.000) 0.356 5.301 ( -0.207 -12.196 0.000) 12.198 5.301 ( 0.207 -12.196 0.000) 12.198 6.102 ( -1.196 16.226 0.000) 16.270 6.102 ( 1.196 16.226 0.000) 16.270 6.702 ( -3.453 5.272 0.000) 6.302 6.702 ( 3.453 5.272 0.000) 6.302 7.271 ( -2.425 5.932 0.000) 6.408 7.271 ( 2.425 5.932 0.000) 6.408 7.821 ( -0.452 0.185 0.000) 0.488 7.821 ( 0.452 0.185 0.000) 0.488 8.114 ( -0.780 1.830 0.000) 1.989 8.114 ( 0.780 1.830 0.000) 1.989 8.171 ( -2.587 -0.395 0.000) 2.617 8.171 ( 2.587 -0.395 0.000) 2.617 8.646 ( -2.433 -0.092 0.000) 2.435 8.646 ( 2.433 -0.092 0.000) 2.435 8.777 ( -0.095 -2.382 0.000) 2.384 8.777 ( 0.095 -2.382 0.000) 2.384 9.472 ( -4.379 -2.301 0.000) 4.947 9.472 ( 4.379 -2.301 0.000) 4.947 9.597 ( -4.482 -2.262 0.000) 5.021 9.597 ( 4.482 -2.262 0.000) 5.021 ======================= Grid point 18 (11/105) ======================= q-point: ( 0.00 0.15 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 16.896 0.000) 16.896 0.785 ( 0.000 18.450 0.000) 18.450 1.198 ( 0.000 6.880 0.000) 6.880 1.205 ( 0.000 10.481 0.000) 10.481 1.251 ( 0.000 12.108 0.000) 12.108 1.347 ( 0.000 6.137 0.000) 6.137 1.465 ( 0.000 18.138 0.000) 18.138 1.489 ( 0.000 15.161 0.000) 15.161 1.621 ( 0.000 3.938 0.000) 3.938 1.681 ( 0.000 3.546 0.000) 3.546 1.805 ( 0.000 -1.191 0.000) 1.191 1.891 ( 0.000 -0.580 0.000) 0.580 2.136 ( 0.000 11.975 0.000) 11.975 2.145 ( 0.000 15.773 0.000) 15.773 2.284 ( 0.000 -0.701 0.000) 0.701 2.305 ( 0.000 7.365 0.000) 7.365 2.598 ( 0.000 3.603 0.000) 3.603 2.803 ( 0.000 10.124 0.000) 10.124 3.421 ( 0.000 1.694 0.000) 1.694 3.526 ( 0.000 -2.917 0.000) 2.917 3.815 ( 0.000 -2.818 0.000) 2.818 4.021 ( 0.000 -6.056 0.000) 6.056 4.208 ( 0.000 -2.087 0.000) 2.087 4.238 ( 0.000 -1.998 0.000) 1.998 4.927 ( 0.000 -16.414 0.000) 16.414 4.995 ( 0.000 -9.523 0.000) 9.523 5.131 ( 0.000 1.269 0.000) 1.269 5.148 ( 0.000 5.576 0.000) 5.576 6.491 ( 0.000 14.936 0.000) 14.936 6.896 ( 0.000 10.340 0.000) 10.340 7.070 ( 0.000 -0.049 0.000) 0.049 7.389 ( 0.000 11.278 0.000) 11.278 7.518 ( 0.000 -3.514 0.000) 3.514 7.654 ( 0.000 4.092 0.000) 4.092 7.693 ( 0.000 2.744 0.000) 2.744 7.744 ( 0.000 2.823 0.000) 2.823 7.769 ( 0.000 10.556 0.000) 10.556 7.855 ( 0.000 6.296 0.000) 6.296 8.188 ( 0.000 5.986 0.000) 5.986 8.217 ( 0.000 3.225 0.000) 3.225 8.717 ( 0.000 1.728 0.000) 1.728 8.763 ( 0.000 -3.057 0.000) 3.057 8.796 ( 0.000 -4.796 0.000) 4.796 8.823 ( 0.000 -1.226 0.000) 1.226 9.176 ( 0.000 -2.090 0.000) 2.090 9.279 ( 0.000 -2.715 0.000) 2.715 9.610 ( 0.000 -4.326 0.000) 4.326 9.611 ( 0.000 -4.303 0.000) 4.303 ======================= Grid point 19 (12/105) ======================= q-point: ( 0.12 0.15 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 5.139 16.417 0.000) 17.203 0.856 ( 10.224 11.852 0.000) 15.652 1.170 ( -1.321 6.396 0.000) 6.531 1.243 ( 3.581 10.499 0.000) 11.092 1.295 ( 3.501 7.514 0.000) 8.290 1.380 ( 1.785 5.910 0.000) 6.173 1.499 ( 0.920 15.030 0.000) 15.058 1.506 ( 4.963 16.268 0.000) 17.009 1.651 ( -1.828 6.799 0.000) 7.041 1.656 ( 2.579 3.191 0.000) 4.103 1.841 ( 2.742 -1.614 0.000) 3.181 1.876 ( -1.356 -0.713 0.000) 1.532 2.072 ( -4.271 10.618 0.000) 11.445 2.158 ( 1.119 15.418 0.000) 15.459 2.282 ( -1.522 1.826 0.000) 2.378 2.296 ( -0.901 6.899 0.000) 6.957 2.542 ( -3.804 5.599 0.000) 6.769 2.849 ( 4.296 9.331 0.000) 10.273 3.369 ( -4.015 2.156 0.000) 4.558 3.543 ( 0.566 -2.839 0.000) 2.895 3.862 ( 4.041 -2.552 0.000) 4.779 4.048 ( 2.551 -6.011 0.000) 6.530 4.190 ( -1.651 -1.977 0.000) 2.576 4.237 ( -0.073 -2.248 0.000) 2.250 4.926 ( 0.001 -15.862 0.000) 15.862 4.998 ( 0.284 -9.076 0.000) 9.080 5.134 ( 0.260 0.349 0.000) 0.435 5.159 ( 0.854 4.401 0.000) 4.483 6.483 ( -0.808 14.830 0.000) 14.852 6.868 ( -2.506 9.322 0.000) 9.653 7.024 ( -4.237 1.041 0.000) 4.363 7.177 ( -24.068 13.912 0.000) 27.800 7.396 ( 0.713 11.615 0.000) 11.637 7.569 ( -2.524 4.574 0.000) 5.225 7.719 ( 2.259 3.003 0.000) 3.758 7.794 ( 2.126 8.485 0.000) 8.748 7.854 ( 4.839 -0.072 0.000) 4.840 7.940 ( 5.032 2.738 0.000) 5.729 8.165 ( -1.240 5.509 0.000) 5.647 8.228 ( 0.365 2.517 0.000) 2.543 8.753 ( 1.236 0.895 0.000) 1.526 8.767 ( 0.054 -3.095 0.000) 3.096 8.793 ( -0.500 -4.104 0.000) 4.134 8.809 ( -1.178 -1.651 0.000) 2.028 9.189 ( 1.457 -2.234 0.000) 2.668 9.299 ( 1.982 -2.598 0.000) 3.268 9.577 ( -1.802 -4.144 0.000) 4.519 9.631 ( 0.576 -4.453 0.000) 4.490 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.25 0.15 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 5.292 11.577 0.000) 12.729 1.074 ( 10.041 8.149 0.000) 12.932 1.198 ( 4.435 6.385 0.000) 7.774 1.335 ( 4.999 10.132 0.000) 11.298 1.365 ( -2.805 3.724 0.000) 4.662 1.374 ( 4.112 5.887 0.000) 7.181 1.522 ( 1.299 14.175 0.000) 14.234 1.600 ( 0.685 7.646 0.000) 7.676 1.690 ( 0.359 1.580 0.000) 1.621 1.698 ( 7.844 9.728 0.000) 12.496 1.847 ( -1.191 -0.755 0.000) 1.410 1.886 ( 1.081 -1.792 0.000) 2.093 2.013 ( -1.099 8.097 0.000) 8.171 2.178 ( 0.573 14.422 0.000) 14.434 2.204 ( -5.236 1.743 0.000) 5.518 2.267 ( -2.022 5.416 0.000) 5.781 2.529 ( 3.887 12.263 0.000) 12.865 2.969 ( 7.394 7.416 0.000) 10.472 3.281 ( -4.744 3.591 0.000) 5.949 3.524 ( -2.720 -2.375 0.000) 3.611 3.949 ( 4.038 -1.999 0.000) 4.505 4.114 ( 3.717 -5.868 0.000) 6.946 4.148 ( -2.255 -1.821 0.000) 2.899 4.236 ( -0.008 -2.886 0.000) 2.886 4.932 ( 0.556 -15.128 0.000) 15.138 5.004 ( 0.141 -9.165 0.000) 9.166 5.138 ( 0.051 -0.669 0.000) 0.671 5.173 ( 0.309 2.739 0.000) 2.756 6.461 ( -1.284 14.524 0.000) 14.580 6.754 ( -15.674 21.413 0.000) 26.536 6.814 ( -2.427 7.048 0.000) 7.454 6.935 ( -4.912 0.796 0.000) 4.976 7.415 ( 1.085 12.644 0.000) 12.690 7.522 ( -2.132 7.182 0.000) 7.492 7.772 ( 2.727 3.327 0.000) 4.302 7.837 ( 1.806 5.991 0.000) 6.257 7.964 ( 5.811 0.100 0.000) 5.812 8.028 ( 4.054 1.645 0.000) 4.375 8.153 ( 0.128 4.519 0.000) 4.521 8.226 ( -0.569 0.997 0.000) 1.148 8.727 ( -2.951 1.976 0.000) 3.551 8.752 ( -1.769 -2.173 0.000) 2.802 8.768 ( -1.874 -3.684 0.000) 4.133 8.782 ( -1.776 -2.534 0.000) 3.094 9.240 ( 3.548 -2.600 0.000) 4.399 9.360 ( 3.942 -2.485 0.000) 4.660 9.538 ( -2.157 -3.992 0.000) 4.537 9.632 ( -0.652 -4.427 0.000) 4.475 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.38 0.15 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 5.914 7.510 0.000) 9.559 1.242 ( 5.863 8.700 0.000) 10.491 1.291 ( -3.411 2.896 0.000) 4.474 1.315 ( 5.952 6.662 0.000) 8.933 1.409 ( 1.118 10.255 0.000) 10.315 1.443 ( 1.828 8.785 0.000) 8.974 1.563 ( 3.429 9.578 0.000) 10.173 1.607 ( 0.662 5.227 0.000) 5.269 1.678 ( -1.079 2.117 0.000) 2.376 1.769 ( -2.331 3.433 0.000) 4.150 1.832 ( -0.295 -0.662 0.000) 0.725 1.887 ( -1.371 -2.092 0.000) 2.501 2.036 ( 3.807 8.210 0.000) 9.050 2.141 ( -0.222 1.838 0.000) 1.851 2.174 ( -1.155 12.868 0.000) 12.919 2.217 ( -2.700 3.306 0.000) 4.269 2.698 ( 11.878 13.071 0.000) 17.662 3.136 ( 8.641 4.884 0.000) 9.926 3.161 ( -7.689 5.127 0.000) 9.241 3.436 ( -5.699 -0.295 0.000) 5.707 4.016 ( 2.616 -1.593 0.000) 3.062 4.103 ( -2.167 -1.652 0.000) 2.725 4.184 ( 2.864 -5.532 0.000) 6.230 4.236 ( -0.119 -3.885 0.000) 3.887 4.950 ( 1.190 -14.398 0.000) 14.447 4.999 ( -0.691 -11.075 0.000) 11.097 5.140 ( 0.322 0.033 0.000) 0.324 5.169 ( -0.606 1.812 0.000) 1.911 6.438 ( -0.671 14.365 0.000) 14.381 6.530 ( -6.983 18.595 0.000) 19.863 6.782 ( -0.561 4.929 0.000) 4.961 6.847 ( -3.637 2.106 0.000) 4.203 7.437 ( 1.088 13.422 0.000) 13.466 7.485 ( -1.505 10.292 0.000) 10.402 7.822 ( 2.142 3.427 0.000) 4.041 7.861 ( 0.488 4.447 0.000) 4.474 8.075 ( 4.884 -0.039 0.000) 4.885 8.107 ( 3.605 1.372 0.000) 3.857 8.163 ( 0.493 3.219 0.000) 3.256 8.205 ( -1.525 0.041 0.000) 1.525 8.668 ( -2.277 2.233 0.000) 3.189 8.699 ( -2.997 -0.520 0.000) 3.042 8.730 ( -1.599 -3.777 0.000) 4.101 8.740 ( -1.984 -3.104 0.000) 3.684 9.325 ( 4.545 -2.973 0.000) 5.431 9.449 ( 4.617 -2.806 0.000) 5.403 9.486 ( -3.052 -3.657 0.000) 4.763 9.602 ( -2.354 -4.126 0.000) 4.750 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.15 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -5.450 5.836 0.000) 7.985 1.185 ( 5.450 5.836 0.000) 7.985 1.359 ( -3.656 6.918 0.000) 7.825 1.359 ( 3.656 6.918 0.000) 7.825 1.427 ( -2.947 10.100 0.000) 10.521 1.427 ( 2.947 10.100 0.000) 10.521 1.631 ( -0.353 0.913 0.000) 0.979 1.631 ( 0.353 0.913 0.000) 0.979 1.680 ( -4.120 6.894 0.000) 8.031 1.680 ( 4.120 6.894 0.000) 8.031 1.844 ( -1.742 -0.548 0.000) 1.826 1.844 ( 1.742 -0.548 0.000) 1.826 2.125 ( -3.770 9.792 0.000) 10.492 2.125 ( 3.770 9.792 0.000) 10.492 2.167 ( -2.104 2.362 0.000) 3.163 2.167 ( 2.104 2.362 0.000) 3.163 2.956 ( -12.309 8.186 0.000) 14.782 2.956 ( 12.309 8.186 0.000) 14.782 3.302 ( -7.489 2.439 0.000) 7.876 3.302 ( 7.489 2.439 0.000) 7.876 4.061 ( -2.007 -1.502 0.000) 2.507 4.061 ( 2.007 -1.502 0.000) 2.507 4.225 ( -1.161 -4.886 0.000) 5.022 4.225 ( 1.161 -4.886 0.000) 5.022 4.977 ( -1.377 -13.184 0.000) 13.256 4.977 ( 1.377 -13.184 0.000) 13.256 5.153 ( -0.857 1.149 0.000) 1.434 5.153 ( 0.857 1.149 0.000) 1.434 6.446 ( -1.839 15.491 0.000) 15.600 6.446 ( 1.839 15.491 0.000) 15.600 6.793 ( -1.664 3.405 0.000) 3.789 6.793 ( 1.664 3.405 0.000) 3.789 7.459 ( -1.113 12.682 0.000) 12.731 7.459 ( 1.113 12.682 0.000) 12.731 7.855 ( -1.018 3.653 0.000) 3.792 7.855 ( 1.018 3.653 0.000) 3.792 8.153 ( -2.354 1.721 0.000) 2.916 8.153 ( 2.354 1.721 0.000) 2.916 8.163 ( -2.147 0.074 0.000) 2.148 8.163 ( 2.147 0.074 0.000) 2.148 8.653 ( -0.982 1.141 0.000) 1.506 8.653 ( 0.982 1.141 0.000) 1.506 8.715 ( -0.289 -3.548 0.000) 3.560 8.715 ( 0.289 -3.548 0.000) 3.560 9.414 ( -4.093 -3.294 0.000) 5.254 9.414 ( 4.093 -3.294 0.000) 5.254 9.537 ( -3.907 -3.502 0.000) 5.247 9.537 ( 3.907 -3.502 0.000) 5.247 ======================= Grid point 27 (16/105) ======================= q-point: ( 0.00 0.23 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 13.500 0.000) 13.500 1.104 ( 0.000 13.193 0.000) 13.193 1.333 ( 0.000 3.801 0.000) 3.801 1.337 ( 0.000 6.896 0.000) 6.896 1.368 ( 0.000 -1.709 0.000) 1.709 1.397 ( 0.000 4.227 0.000) 4.227 1.592 ( 0.000 -0.243 0.000) 0.243 1.744 ( 0.000 6.839 0.000) 6.839 1.763 ( 0.000 11.973 0.000) 11.973 1.867 ( 0.000 5.045 0.000) 5.045 1.878 ( 0.000 -0.635 0.000) 0.635 1.924 ( 0.000 14.014 0.000) 14.014 2.292 ( 0.000 2.052 0.000) 2.052 2.342 ( 0.000 7.253 0.000) 7.253 2.411 ( 0.000 3.691 0.000) 3.691 2.433 ( 0.000 12.631 0.000) 12.631 2.761 ( 0.000 13.624 0.000) 13.624 2.959 ( 0.000 5.465 0.000) 5.465 3.458 ( 0.000 1.826 0.000) 1.826 3.463 ( 0.000 -3.256 0.000) 3.256 3.767 ( 0.000 -1.618 0.000) 1.618 3.887 ( 0.000 -7.251 0.000) 7.251 4.172 ( 0.000 -1.522 0.000) 1.522 4.198 ( 0.000 -1.560 0.000) 1.560 4.701 ( 0.000 -5.593 0.000) 5.593 4.888 ( 0.000 -0.796 0.000) 0.796 5.195 ( 0.000 5.116 0.000) 5.116 5.271 ( 0.000 6.472 0.000) 6.472 6.743 ( 0.000 9.699 0.000) 9.699 6.999 ( 0.000 1.438 0.000) 1.438 7.025 ( 0.000 -3.257 0.000) 3.257 7.453 ( 0.000 -2.893 0.000) 2.893 7.667 ( 0.000 14.689 0.000) 14.689 7.738 ( 0.000 4.166 0.000) 4.166 7.776 ( 0.000 1.055 0.000) 1.055 7.779 ( 0.000 5.919 0.000) 5.919 7.998 ( 0.000 11.729 0.000) 11.729 8.027 ( 0.000 9.975 0.000) 9.975 8.283 ( 0.000 3.261 0.000) 3.261 8.335 ( 0.000 8.134 0.000) 8.134 8.693 ( 0.000 -4.868 0.000) 4.868 8.727 ( 0.000 -0.242 0.000) 0.242 8.758 ( 0.000 2.264 0.000) 2.264 8.802 ( 0.000 -0.732 0.000) 0.732 9.134 ( 0.000 -2.158 0.000) 2.158 9.215 ( 0.000 -3.783 0.000) 3.783 9.522 ( 0.000 -4.367 0.000) 4.367 9.524 ( 0.000 -4.275 0.000) 4.275 ======================= Grid point 28 (17/105) ======================= q-point: ( 0.12 0.23 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 4.028 10.330 0.000) 11.088 1.131 ( 2.094 11.869 0.000) 12.052 1.295 ( -1.343 5.965 0.000) 6.114 1.387 ( 3.552 4.949 0.000) 6.091 1.387 ( 1.980 1.364 0.000) 2.404 1.418 ( 0.923 0.660 0.000) 1.135 1.615 ( 2.959 0.052 0.000) 2.959 1.743 ( -0.585 6.662 0.000) 6.688 1.784 ( 1.692 10.558 0.000) 10.693 1.844 ( -1.694 6.681 0.000) 6.892 1.865 ( -1.005 -0.232 0.000) 1.032 1.951 ( 1.467 10.191 0.000) 10.296 2.206 ( -5.173 4.749 0.000) 7.022 2.340 ( -2.961 3.023 0.000) 4.232 2.393 ( -1.749 3.379 0.000) 3.805 2.434 ( -0.132 11.611 0.000) 11.612 2.771 ( 2.071 16.701 0.000) 16.829 2.997 ( 3.509 5.335 0.000) 6.386 3.414 ( -2.309 1.966 0.000) 3.032 3.490 ( 0.691 -2.049 0.000) 2.162 3.820 ( 4.502 -1.404 0.000) 4.716 3.915 ( 2.692 -7.155 0.000) 7.644 4.156 ( -1.416 -1.360 0.000) 1.963 4.193 ( -0.541 -1.796 0.000) 1.876 4.699 ( -0.170 -5.944 0.000) 5.946 4.880 ( -0.842 -1.796 0.000) 1.983 5.194 ( -0.100 5.038 0.000) 5.039 5.269 ( -0.304 5.975 0.000) 5.983 6.730 ( -1.265 9.422 0.000) 9.507 6.965 ( -3.062 1.655 0.000) 3.481 6.994 ( -2.893 -2.687 0.000) 3.949 7.309 ( -12.925 1.605 0.000) 13.024 7.648 ( -0.857 11.414 0.000) 11.446 7.687 ( -1.555 6.148 0.000) 6.342 7.829 ( 3.845 8.551 0.000) 9.376 7.849 ( 4.513 0.132 0.000) 4.515 7.976 ( -0.298 9.016 0.000) 9.021 8.074 ( 2.603 9.827 0.000) 10.166 8.268 ( -1.154 2.843 0.000) 3.069 8.309 ( -2.336 6.911 0.000) 7.295 8.693 ( 0.090 -4.071 0.000) 4.072 8.743 ( 0.770 -0.246 0.000) 0.808 8.778 ( -0.323 0.115 0.000) 0.343 8.788 ( -0.108 0.987 0.000) 0.993 9.145 ( 1.269 -2.189 0.000) 2.530 9.239 ( 2.378 -3.377 0.000) 4.130 9.495 ( -1.533 -3.916 0.000) 4.205 9.539 ( 0.459 -4.588 0.000) 4.611 ======================= Grid point 29 (18/105) ======================= q-point: ( 0.25 0.23 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.903 8.531 0.000) 8.579 1.196 ( 6.905 4.663 0.000) 8.332 1.325 ( 4.179 6.062 0.000) 7.363 1.409 ( -1.464 0.990 0.000) 1.767 1.446 ( 3.752 2.380 0.000) 4.443 1.476 ( 4.954 4.313 0.000) 6.569 1.700 ( -3.700 2.836 0.000) 4.662 1.716 ( 5.952 -1.841 0.000) 6.230 1.800 ( -2.755 7.114 0.000) 7.629 1.818 ( 1.490 10.423 0.000) 10.529 1.854 ( 0.015 1.841 0.000) 1.841 1.942 ( -2.505 3.866 0.000) 4.606 2.147 ( -0.116 7.168 0.000) 7.169 2.235 ( -5.885 1.561 0.000) 6.089 2.339 ( -3.604 2.386 0.000) 4.322 2.417 ( -1.716 8.873 0.000) 9.037 2.862 ( 6.576 19.147 0.000) 20.245 3.093 ( 5.813 4.844 0.000) 7.566 3.368 ( -2.450 5.067 0.000) 5.628 3.483 ( -1.383 -1.474 0.000) 2.021 3.915 ( 4.271 -1.477 0.000) 4.519 3.989 ( 4.303 -6.330 0.000) 7.654 4.120 ( -2.086 -1.125 0.000) 2.370 4.179 ( -0.807 -2.384 0.000) 2.517 4.699 ( 0.285 -6.837 0.000) 6.843 4.852 ( -1.928 -4.159 0.000) 4.584 5.193 ( 0.016 4.797 0.000) 4.797 5.258 ( -0.816 4.933 0.000) 5.000 6.694 ( -2.216 8.530 0.000) 8.813 6.893 ( -3.428 1.799 0.000) 3.871 6.912 ( -5.611 -1.496 0.000) 5.807 7.031 ( -11.877 6.892 0.000) 13.732 7.651 ( 1.109 9.128 0.000) 9.195 7.681 ( 0.582 7.778 0.000) 7.799 7.906 ( 3.357 10.136 0.000) 10.677 7.945 ( 4.282 0.983 0.000) 4.393 7.986 ( 1.365 5.772 0.000) 5.931 8.124 ( 2.438 7.476 0.000) 7.864 8.244 ( -1.352 1.117 0.000) 1.754 8.255 ( -2.398 4.996 0.000) 5.542 8.688 ( -0.806 -3.101 0.000) 3.204 8.732 ( -2.856 -1.426 0.000) 3.192 8.740 ( -1.005 0.653 0.000) 1.199 8.786 ( -1.316 3.116 0.000) 3.383 9.190 ( 3.215 -2.306 0.000) 3.957 9.307 ( 4.035 -2.832 0.000) 4.930 9.462 ( -1.869 -3.554 0.000) 4.015 9.539 ( -0.528 -4.652 0.000) 4.682 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.38 0.23 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.458 5.738 0.000) 6.700 1.310 ( 2.227 0.222 0.000) 2.238 1.389 ( 1.160 5.059 0.000) 5.190 1.420 ( 4.253 4.173 0.000) 5.958 1.527 ( 3.407 1.564 0.000) 3.749 1.557 ( 1.095 3.811 0.000) 3.965 1.627 ( -1.240 0.348 0.000) 1.288 1.711 ( -4.306 0.728 0.000) 4.367 1.819 ( 1.538 3.993 0.000) 4.279 1.829 ( -0.616 6.460 0.000) 6.490 1.868 ( 1.448 6.530 0.000) 6.689 1.903 ( -0.149 2.560 0.000) 2.564 2.135 ( -1.446 2.523 0.000) 2.908 2.197 ( 2.913 4.180 0.000) 5.095 2.253 ( -4.626 0.882 0.000) 4.709 2.362 ( -3.651 5.589 0.000) 6.676 3.017 ( 8.252 17.572 0.000) 19.413 3.222 ( 6.618 3.649 0.000) 7.557 3.301 ( -4.555 8.759 0.000) 9.873 3.435 ( -3.375 0.203 0.000) 3.381 3.985 ( 2.774 -1.900 0.000) 3.363 4.072 ( 3.607 -4.894 0.000) 6.080 4.076 ( -2.147 -1.175 0.000) 2.448 4.160 ( -1.122 -3.169 0.000) 3.361 4.714 ( 1.331 -7.687 0.000) 7.802 4.804 ( -2.630 -6.486 0.000) 6.999 5.197 ( 0.490 4.356 0.000) 4.384 5.237 ( -1.193 4.125 0.000) 4.294 6.652 ( -1.488 7.009 0.000) 7.166 6.756 ( -7.590 4.411 0.000) 8.779 6.845 ( -1.198 1.992 0.000) 2.325 6.892 ( -3.544 3.106 0.000) 4.712 7.683 ( 1.699 9.047 0.000) 9.205 7.699 ( 0.932 9.547 0.000) 9.592 7.956 ( 1.485 10.029 0.000) 10.138 7.975 ( 0.040 6.691 0.000) 6.691 8.063 ( 4.779 -0.776 0.000) 4.842 8.171 ( 2.125 4.567 0.000) 5.037 8.201 ( -2.270 -0.043 0.000) 2.271 8.229 ( -0.962 2.623 0.000) 2.794 8.662 ( -1.408 -2.434 0.000) 2.812 8.676 ( -2.325 -1.625 0.000) 2.837 8.716 ( -0.987 2.607 0.000) 2.787 8.744 ( -2.253 4.361 0.000) 4.909 9.268 ( 4.202 -2.588 0.000) 4.935 9.391 ( 4.087 -2.953 0.000) 5.042 9.416 ( -2.705 -3.233 0.000) 4.216 9.516 ( -1.835 -4.341 0.000) 4.713 ======================= Grid point 31 (20/105) ======================= q-point: (-0.50 0.23 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -3.533 3.104 0.000) 4.703 1.279 ( 3.533 3.104 0.000) 4.703 1.449 ( -2.312 3.116 0.000) 3.880 1.449 ( 2.312 3.116 0.000) 3.880 1.545 ( -0.845 2.342 0.000) 2.490 1.545 ( 0.845 2.342 0.000) 2.490 1.655 ( -1.548 0.377 0.000) 1.593 1.655 ( 1.548 0.377 0.000) 1.593 1.817 ( -0.069 5.340 0.000) 5.340 1.817 ( 0.069 5.340 0.000) 5.340 1.898 ( -1.141 6.093 0.000) 6.199 1.898 ( 1.141 6.093 0.000) 6.199 2.164 ( -3.732 -0.207 0.000) 3.738 2.164 ( 3.732 -0.207 0.000) 3.738 2.277 ( -4.477 3.911 0.000) 5.945 2.277 ( 4.477 3.911 0.000) 5.945 3.179 ( -7.346 13.410 0.000) 15.290 3.179 ( 7.346 13.410 0.000) 15.290 3.346 ( -5.392 1.964 0.000) 5.738 3.346 ( 5.392 1.964 0.000) 5.738 4.033 ( -2.140 -1.590 0.000) 2.666 4.033 ( 2.140 -1.590 0.000) 2.666 4.129 ( -2.040 -3.975 0.000) 4.468 4.129 ( 2.040 -3.975 0.000) 4.468 4.752 ( -2.350 -7.724 0.000) 8.073 4.752 ( 2.350 -7.724 0.000) 8.073 5.213 ( -1.041 3.973 0.000) 4.107 5.213 ( 1.041 3.973 0.000) 4.107 6.655 ( -2.312 5.823 0.000) 6.265 6.655 ( 2.312 5.823 0.000) 6.265 6.845 ( -1.178 2.249 0.000) 2.539 6.845 ( 1.178 2.249 0.000) 2.539 7.707 ( -0.422 9.958 0.000) 9.966 7.707 ( 0.422 9.958 0.000) 9.966 7.971 ( -0.340 8.028 0.000) 8.035 7.971 ( 0.340 8.028 0.000) 8.035 8.148 ( -3.358 -0.903 0.000) 3.478 8.148 ( 3.358 -0.903 0.000) 3.478 8.206 ( -1.362 2.578 0.000) 2.916 8.206 ( 1.362 2.578 0.000) 2.916 8.648 ( -0.318 -1.926 0.000) 1.952 8.648 ( 0.318 -1.926 0.000) 1.952 8.712 ( -0.725 4.320 0.000) 4.380 8.712 ( 0.725 4.320 0.000) 4.380 9.350 ( -3.765 -2.918 0.000) 4.763 9.350 ( 3.765 -2.918 0.000) 4.763 9.465 ( -3.136 -3.637 0.000) 4.802 9.465 ( 3.136 -3.637 0.000) 4.802 ======================= Grid point 36 (21/105) ======================= q-point: ( 0.00 0.31 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 6.608 0.000) 6.608 1.296 ( 0.000 6.333 0.000) 6.333 1.383 ( 0.000 4.678 0.000) 4.678 1.399 ( 0.000 3.298 0.000) 3.298 1.416 ( 0.000 -2.193 0.000) 2.193 1.466 ( 0.000 6.031 0.000) 6.031 1.597 ( 0.000 1.475 0.000) 1.475 1.841 ( 0.000 2.409 0.000) 2.409 1.867 ( 0.000 -0.549 0.000) 0.549 1.938 ( 0.000 2.094 0.000) 2.094 1.953 ( 0.000 7.031 0.000) 7.031 2.114 ( 0.000 5.266 0.000) 5.266 2.361 ( 0.000 4.198 0.000) 4.198 2.436 ( 0.000 3.163 0.000) 3.163 2.476 ( 0.000 3.539 0.000) 3.539 2.623 ( 0.000 6.174 0.000) 6.174 3.034 ( 0.000 2.979 0.000) 2.979 3.082 ( 0.000 16.901 0.000) 16.901 3.416 ( 0.000 -0.960 0.000) 0.960 3.488 ( 0.000 1.109 0.000) 1.109 3.739 ( 0.000 -7.560 0.000) 7.560 3.759 ( 0.000 0.604 0.000) 0.604 4.154 ( 0.000 -0.082 0.000) 0.082 4.186 ( 0.000 0.352 0.000) 0.352 4.709 ( 0.000 5.875 0.000) 5.875 4.957 ( 0.000 7.153 0.000) 7.153 5.317 ( 0.000 6.571 0.000) 6.571 5.385 ( 0.000 4.463 0.000) 4.463 6.872 ( 0.000 3.792 0.000) 3.792 6.985 ( 0.000 -0.074 0.000) 0.074 6.997 ( 0.000 -0.971 0.000) 0.971 7.405 ( 0.000 -2.095 0.000) 2.095 7.798 ( 0.000 1.199 0.000) 1.199 7.811 ( 0.000 3.019 0.000) 3.019 7.913 ( 0.000 9.462 0.000) 9.462 7.919 ( 0.000 7.702 0.000) 7.702 8.210 ( 0.000 9.316 0.000) 9.316 8.221 ( 0.000 9.115 0.000) 9.115 8.348 ( 0.000 3.574 0.000) 3.574 8.446 ( 0.000 1.346 0.000) 1.346 8.656 ( 0.000 2.551 0.000) 2.551 8.757 ( 0.000 3.084 0.000) 3.084 8.798 ( 0.000 0.294 0.000) 0.294 8.803 ( 0.000 2.200 0.000) 2.200 9.089 ( 0.000 -2.353 0.000) 2.353 9.129 ( 0.000 -4.858 0.000) 4.858 9.445 ( 0.000 -3.260 0.000) 3.260 9.449 ( 0.000 -3.128 0.000) 3.128 ======================= Grid point 37 (22/105) ======================= q-point: ( 0.12 0.31 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.262 6.285 0.000) 6.291 1.303 ( 0.349 5.647 0.000) 5.658 1.394 ( -0.333 4.121 0.000) 4.135 1.402 ( 1.237 1.090 0.000) 1.648 1.426 ( 1.579 0.190 0.000) 1.591 1.483 ( 2.143 5.026 0.000) 5.464 1.612 ( 1.521 0.386 0.000) 1.570 1.812 ( -3.324 1.241 0.000) 3.548 1.866 ( 0.487 -0.061 0.000) 0.491 1.927 ( -1.018 2.235 0.000) 2.456 1.970 ( 1.453 7.025 0.000) 7.173 2.094 ( -2.640 4.146 0.000) 4.915 2.306 ( -3.587 4.709 0.000) 5.919 2.392 ( -4.573 2.269 0.000) 5.105 2.454 ( -2.248 3.296 0.000) 3.990 2.598 ( -2.518 4.826 0.000) 5.444 3.075 ( 3.571 3.426 0.000) 4.949 3.125 ( 4.217 17.490 0.000) 17.991 3.434 ( 1.674 0.639 0.000) 1.792 3.484 ( -0.418 0.983 0.000) 1.068 3.768 ( 2.622 -7.351 0.000) 7.805 3.815 ( 4.968 0.450 0.000) 4.988 4.139 ( -1.418 -0.159 0.000) 1.427 4.179 ( -0.663 0.427 0.000) 0.789 4.699 ( -0.955 5.468 0.000) 5.551 4.931 ( -2.592 6.386 0.000) 6.892 5.313 ( -0.437 6.298 0.000) 6.313 5.374 ( -1.047 4.130 0.000) 4.261 6.855 ( -1.710 3.614 0.000) 3.999 6.961 ( -2.332 0.020 0.000) 2.332 6.970 ( -2.542 -0.611 0.000) 2.614 7.311 ( -8.661 -0.721 0.000) 8.691 7.781 ( -0.055 3.331 0.000) 3.332 7.830 ( -3.368 7.793 0.000) 8.490 7.862 ( 3.524 1.030 0.000) 3.672 8.011 ( 4.397 7.817 0.000) 8.968 8.151 ( -2.357 8.368 0.000) 8.693 8.265 ( 1.181 8.411 0.000) 8.494 8.310 ( -2.824 1.648 0.000) 3.269 8.424 ( -2.753 3.545 0.000) 4.489 8.657 ( 0.581 1.485 0.000) 1.594 8.773 ( 0.917 2.943 0.000) 3.082 8.777 ( -1.901 0.635 0.000) 2.004 8.828 ( 1.858 2.219 0.000) 2.894 9.102 ( 1.455 -2.108 0.000) 2.561 9.166 ( 3.355 -3.955 0.000) 5.186 9.428 ( -1.094 -2.773 0.000) 2.981 9.457 ( 0.216 -3.536 0.000) 3.543 ======================= Grid point 38 (23/105) ======================= q-point: ( 0.25 0.31 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.795 2.821 0.000) 3.344 1.293 ( -0.874 5.228 0.000) 5.300 1.415 ( 0.940 0.015 0.000) 0.940 1.415 ( 2.305 2.701 0.000) 3.551 1.488 ( 3.610 1.996 0.000) 4.125 1.544 ( 3.306 2.881 0.000) 4.386 1.655 ( 2.201 -2.919 0.000) 3.655 1.722 ( -5.050 0.463 0.000) 5.071 1.879 ( 0.552 0.233 0.000) 0.599 1.902 ( -1.049 2.590 0.000) 2.794 2.003 ( 1.639 7.085 0.000) 7.272 2.004 ( -5.022 3.081 0.000) 5.892 2.253 ( -3.634 1.898 0.000) 4.100 2.287 ( -3.066 4.099 0.000) 5.119 2.384 ( -4.661 2.528 0.000) 5.303 2.519 ( -5.167 1.793 0.000) 5.469 3.164 ( 5.040 4.518 0.000) 6.768 3.240 ( 6.579 16.734 0.000) 17.980 3.468 ( -0.573 2.886 0.000) 2.942 3.474 ( 1.316 2.257 0.000) 2.613 3.834 ( 3.630 -6.723 0.000) 7.640 3.930 ( 5.816 0.344 0.000) 5.826 4.099 ( -2.424 -0.618 0.000) 2.501 4.162 ( -1.032 0.635 0.000) 1.211 4.677 ( -1.003 4.312 0.000) 4.427 4.859 ( -4.301 4.576 0.000) 6.280 5.300 ( -0.724 5.439 0.000) 5.487 5.346 ( -1.695 3.393 0.000) 3.793 6.803 ( -3.323 3.015 0.000) 4.487 6.894 ( -4.251 0.247 0.000) 4.259 6.910 ( -2.762 0.282 0.000) 2.776 7.105 ( -10.159 1.632 0.000) 10.289 7.790 ( -0.468 5.986 0.000) 6.004 7.798 ( 1.499 4.084 0.000) 4.350 7.945 ( 4.588 -0.074 0.000) 4.589 8.087 ( 2.992 5.932 0.000) 6.644 8.123 ( -0.701 6.866 0.000) 6.902 8.256 ( -2.388 0.272 0.000) 2.403 8.267 ( -0.700 5.751 0.000) 5.794 8.343 ( -4.708 3.448 0.000) 5.836 8.668 ( 0.092 1.580 0.000) 1.583 8.729 ( -2.555 1.473 0.000) 2.949 8.786 ( 0.497 3.672 0.000) 3.705 8.855 ( 0.453 3.491 0.000) 3.521 9.150 ( 3.228 -1.694 0.000) 3.646 9.249 ( 4.456 -2.932 0.000) 5.334 9.402 ( -1.556 -2.411 0.000) 2.870 9.455 ( -0.523 -3.757 0.000) 3.793 ======================= Grid point 39 (24/105) ======================= q-point: ( 0.38 0.31 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.832 3.491 0.000) 3.589 1.303 ( 1.112 -0.516 0.000) 1.226 1.449 ( 2.400 0.941 0.000) 2.578 1.470 ( 2.298 0.875 0.000) 2.459 1.555 ( 2.699 1.578 0.000) 3.126 1.584 ( -0.695 -0.134 0.000) 0.708 1.644 ( -1.113 1.482 0.000) 1.854 1.658 ( -1.924 -3.930 0.000) 4.376 1.885 ( 0.135 0.972 0.000) 0.981 1.891 ( -0.611 1.707 0.000) 1.814 1.964 ( 2.009 3.714 0.000) 4.222 2.027 ( 0.463 6.776 0.000) 6.792 2.162 ( -3.172 0.696 0.000) 3.247 2.273 ( -5.990 1.321 0.000) 6.134 2.279 ( 0.703 3.036 0.000) 3.117 2.404 ( -5.687 -0.715 0.000) 5.732 3.271 ( 5.333 4.112 0.000) 6.734 3.369 ( 5.743 14.944 0.000) 16.010 3.436 ( -2.363 1.700 0.000) 2.911 3.493 ( -0.126 7.949 0.000) 7.950 3.907 ( 3.519 -5.532 0.000) 6.557 4.034 ( 4.227 0.507 0.000) 4.257 4.043 ( -3.105 -1.825 0.000) 3.602 4.138 ( -1.410 0.829 0.000) 1.636 4.668 ( 0.347 2.869 0.000) 2.889 4.768 ( -4.292 2.809 0.000) 5.129 5.288 ( -0.413 4.169 0.000) 4.189 5.311 ( -1.543 2.867 0.000) 3.255 6.737 ( -2.594 2.412 0.000) 3.542 6.793 ( -5.104 1.210 0.000) 5.245 6.874 ( -0.734 0.949 0.000) 1.199 6.947 ( -5.135 1.909 0.000) 5.478 7.805 ( 1.544 4.553 0.000) 4.808 7.830 ( 1.263 4.158 0.000) 4.345 8.040 ( 4.618 -0.907 0.000) 4.706 8.115 ( -0.068 6.027 0.000) 6.027 8.128 ( 0.883 4.193 0.000) 4.285 8.205 ( -3.155 1.127 0.000) 3.351 8.248 ( -0.960 2.307 0.000) 2.499 8.259 ( -2.827 0.607 0.000) 2.892 8.660 ( -0.615 2.573 0.000) 2.645 8.682 ( -1.926 2.594 0.000) 3.231 8.800 ( 0.974 5.349 0.000) 5.437 8.848 ( -0.954 5.382 0.000) 5.466 9.225 ( 3.958 -1.662 0.000) 4.293 9.334 ( 3.728 -2.811 0.000) 4.669 9.362 ( -2.441 -2.164 0.000) 3.262 9.436 ( -1.394 -3.656 0.000) 3.913 ======================= Grid point 40 (25/105) ======================= q-point: (-0.50 0.31 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.422 0.564 0.000) 0.705 1.310 ( 0.422 0.564 0.000) 0.705 1.486 ( -0.796 0.195 0.000) 0.820 1.486 ( 0.796 0.195 0.000) 0.820 1.570 ( -0.520 0.640 0.000) 0.825 1.570 ( 0.520 0.640 0.000) 0.825 1.641 ( -0.346 -0.990 0.000) 1.048 1.641 ( 0.346 -0.990 0.000) 1.048 1.886 ( -0.063 1.717 0.000) 1.719 1.886 ( 0.063 1.717 0.000) 1.719 2.016 ( -1.645 4.987 0.000) 5.251 2.016 ( 1.645 4.987 0.000) 5.251 2.165 ( -3.684 0.313 0.000) 3.697 2.165 ( 3.684 0.313 0.000) 3.697 2.313 ( -2.957 0.156 0.000) 2.961 2.313 ( 2.957 0.156 0.000) 2.961 3.369 ( -4.191 2.749 0.000) 5.013 3.369 ( 4.191 2.749 0.000) 5.013 3.461 ( -3.125 11.950 0.000) 12.352 3.461 ( 3.125 11.950 0.000) 12.352 3.977 ( -3.379 -3.710 0.000) 5.018 3.977 ( 3.379 -3.710 0.000) 5.018 4.100 ( -2.424 0.764 0.000) 2.541 4.100 ( 2.424 0.764 0.000) 2.541 4.697 ( -2.575 2.131 0.000) 3.343 4.697 ( 2.575 2.131 0.000) 3.343 5.289 ( -0.592 3.113 0.000) 3.169 5.289 ( 0.592 3.113 0.000) 3.169 6.722 ( -1.439 2.056 0.000) 2.510 6.722 ( 1.439 2.056 0.000) 2.510 6.882 ( -1.623 1.286 0.000) 2.071 6.882 ( 1.623 1.286 0.000) 2.071 7.834 ( -0.904 4.086 0.000) 4.185 7.834 ( 0.904 4.086 0.000) 4.185 8.120 ( -1.900 0.659 0.000) 2.011 8.120 ( 1.900 0.659 0.000) 2.011 8.132 ( -3.040 4.211 0.000) 5.193 8.132 ( 3.040 4.211 0.000) 5.193 8.236 ( -0.087 -0.035 0.000) 0.094 8.236 ( 0.087 -0.036 0.000) 0.094 8.657 ( -0.493 3.135 0.000) 3.173 8.657 ( 0.493 3.135 0.000) 3.173 8.824 ( -1.269 6.204 0.000) 6.333 8.824 ( 1.269 6.204 0.000) 6.333 9.302 ( -3.473 -1.904 0.000) 3.961 9.302 ( 3.473 -1.904 0.000) 3.961 9.397 ( -2.474 -3.221 0.000) 4.062 9.397 ( 2.474 -3.221 0.000) 4.062 ======================= Grid point 45 (26/105) ======================= q-point: ( 0.00 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 2.074 0.000) 2.074 1.354 ( 0.000 -2.977 0.000) 2.977 1.381 ( 0.000 3.145 0.000) 3.145 1.462 ( 0.000 2.735 0.000) 2.735 1.509 ( 0.000 6.272 0.000) 6.272 1.571 ( 0.000 4.464 0.000) 4.464 1.632 ( 0.000 1.528 0.000) 1.528 1.822 ( 0.000 -3.634 0.000) 3.634 1.878 ( 0.000 1.642 0.000) 1.642 1.975 ( 0.000 2.260 0.000) 2.260 2.036 ( 0.000 1.306 0.000) 1.306 2.154 ( 0.000 -0.602 0.000) 0.602 2.432 ( 0.000 2.709 0.000) 2.709 2.478 ( 0.000 1.094 0.000) 1.094 2.559 ( 0.000 4.525 0.000) 4.525 2.685 ( 0.000 0.823 0.000) 0.823 3.109 ( 0.000 5.070 0.000) 5.070 3.385 ( 0.000 12.806 0.000) 12.806 3.429 ( 0.000 1.917 0.000) 1.917 3.500 ( 0.000 0.163 0.000) 0.163 3.589 ( 0.000 -7.272 0.000) 7.272 3.773 ( 0.000 0.170 0.000) 0.170 4.170 ( 0.000 1.522 0.000) 1.522 4.204 ( 0.000 1.042 0.000) 1.042 4.900 ( 0.000 12.376 0.000) 12.376 5.138 ( 0.000 10.211 0.000) 10.211 5.426 ( 0.000 3.704 0.000) 3.704 5.428 ( 0.000 -0.611 0.000) 0.611 6.916 ( 0.000 1.096 0.000) 1.096 6.973 ( 0.000 -1.296 0.000) 1.296 7.032 ( 0.000 4.650 0.000) 4.650 7.358 ( 0.000 -2.971 0.000) 2.971 7.824 ( 0.000 1.417 0.000) 1.417 7.854 ( 0.000 1.345 0.000) 1.345 8.039 ( 0.000 3.689 0.000) 3.689 8.052 ( 0.000 4.818 0.000) 4.818 8.360 ( 0.000 5.768 0.000) 5.768 8.372 ( 0.000 5.794 0.000) 5.794 8.429 ( 0.000 4.426 0.000) 4.426 8.442 ( 0.000 0.610 0.000) 0.610 8.742 ( 0.000 4.253 0.000) 4.253 8.813 ( 0.000 1.126 0.000) 1.126 8.830 ( 0.000 3.734 0.000) 3.734 8.839 ( 0.000 1.289 0.000) 1.289 9.025 ( 0.000 -5.414 0.000) 5.414 9.041 ( 0.000 -2.492 0.000) 2.492 9.396 ( 0.000 -1.667 0.000) 1.667 9.402 ( 0.000 -1.695 0.000) 1.695 ======================= Grid point 46 (27/105) ======================= q-point: ( 0.12 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.110 1.748 0.000) 1.752 1.367 ( 1.176 -2.126 0.000) 2.429 1.380 ( -0.146 2.911 0.000) 2.915 1.464 ( -0.081 2.623 0.000) 2.624 1.501 ( -0.187 4.899 0.000) 4.902 1.573 ( 0.398 3.853 0.000) 3.874 1.627 ( -0.522 0.684 0.000) 0.860 1.811 ( -2.173 -2.829 0.000) 3.567 1.855 ( -0.792 1.234 0.000) 1.466 1.964 ( -0.995 2.167 0.000) 2.385 2.052 ( 1.431 1.129 0.000) 1.823 2.129 ( -2.746 -0.295 0.000) 2.761 2.374 ( -4.431 2.296 0.000) 4.991 2.422 ( -5.045 0.599 0.000) 5.080 2.529 ( -2.982 4.017 0.000) 5.002 2.642 ( -4.214 0.382 0.000) 4.231 3.157 ( 4.196 5.354 0.000) 6.802 3.438 ( 4.692 13.660 0.000) 14.444 3.461 ( 2.806 1.895 0.000) 3.386 3.501 ( 0.172 0.586 0.000) 0.610 3.617 ( 2.723 -7.750 0.000) 8.215 3.826 ( 4.769 -0.028 0.000) 4.769 4.155 ( -1.447 1.639 0.000) 2.186 4.198 ( -0.527 1.064 0.000) 1.187 4.883 ( -1.611 12.133 0.000) 12.240 5.102 ( -3.416 10.099 0.000) 10.661 5.411 ( -1.530 -0.812 0.000) 1.732 5.414 ( -1.186 3.224 0.000) 3.435 6.895 ( -1.999 0.983 0.000) 2.227 6.953 ( -1.902 -1.024 0.000) 2.160 7.004 ( -2.650 4.235 0.000) 4.996 7.284 ( -6.848 -2.111 0.000) 7.166 7.831 ( 0.852 1.947 0.000) 2.126 7.881 ( 2.351 0.635 0.000) 2.435 7.964 ( -3.903 5.540 0.000) 6.777 8.104 ( 1.883 1.566 0.000) 2.449 8.295 ( -3.431 5.998 0.000) 6.910 8.339 ( -4.588 1.950 0.000) 4.985 8.387 ( -0.985 3.811 0.000) 3.936 8.472 ( -1.552 1.895 0.000) 2.449 8.726 ( -0.198 4.228 0.000) 4.232 8.805 ( -0.714 2.085 0.000) 2.204 8.841 ( 0.808 3.342 0.000) 3.438 8.865 ( 2.217 1.307 0.000) 2.574 9.063 ( 2.173 -1.872 0.000) 2.868 9.085 ( 4.889 -4.071 0.000) 6.362 9.387 ( -0.753 -1.419 0.000) 1.607 9.402 ( -0.130 -2.014 0.000) 2.018 ======================= Grid point 47 (28/105) ======================= q-point: ( 0.25 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -0.959 1.730 0.000) 1.978 1.369 ( -1.076 2.741 0.000) 2.945 1.398 ( 1.917 -1.166 0.000) 2.244 1.461 ( 0.081 1.483 0.000) 1.485 1.523 ( 2.288 1.474 0.000) 2.722 1.586 ( 0.557 1.558 0.000) 1.655 1.612 ( -0.969 -1.528 0.000) 1.809 1.734 ( -4.227 0.023 0.000) 4.227 1.866 ( 1.236 -0.042 0.000) 1.237 1.942 ( -1.008 2.115 0.000) 2.343 2.048 ( -4.254 1.075 0.000) 4.387 2.088 ( 1.920 1.133 0.000) 2.229 2.276 ( -5.731 0.777 0.000) 5.783 2.330 ( -2.595 0.178 0.000) 2.601 2.438 ( -6.007 2.581 0.000) 6.538 2.522 ( -7.366 -0.602 0.000) 7.390 3.256 ( 5.164 5.538 0.000) 7.572 3.491 ( -0.251 1.490 0.000) 1.511 3.541 ( 3.598 1.970 0.000) 4.102 3.543 ( 4.871 12.531 0.000) 13.444 3.697 ( 5.123 -6.364 0.000) 8.170 3.940 ( 5.897 -0.144 0.000) 5.898 4.112 ( -2.814 1.899 0.000) 3.395 4.184 ( -0.825 1.104 0.000) 1.378 4.842 ( -2.215 11.405 0.000) 11.618 5.009 ( -5.481 9.785 0.000) 11.216 5.371 ( -2.293 -1.286 0.000) 2.629 5.380 ( -2.112 1.897 0.000) 2.839 6.838 ( -3.448 1.055 0.000) 3.606 6.908 ( -2.172 -0.631 0.000) 2.262 6.930 ( -4.559 3.261 0.000) 5.605 7.115 ( -8.833 -0.537 0.000) 8.849 7.858 ( 1.746 2.371 0.000) 2.944 7.903 ( -1.890 5.331 0.000) 5.656 7.941 ( 3.523 -0.403 0.000) 3.546 8.125 ( 0.381 -1.330 0.000) 1.383 8.239 ( -2.149 4.661 0.000) 5.132 8.262 ( -3.065 0.939 0.000) 3.206 8.336 ( -3.578 1.466 0.000) 3.866 8.390 ( -5.510 0.818 0.000) 5.571 8.739 ( 0.862 4.964 0.000) 5.039 8.787 ( -1.009 3.921 0.000) 4.049 8.864 ( 1.432 3.467 0.000) 3.751 8.909 ( 1.784 1.691 0.000) 2.458 9.124 ( 3.705 -0.973 0.000) 3.831 9.190 ( 5.040 -2.991 0.000) 5.861 9.366 ( -1.330 -1.218 0.000) 1.803 9.394 ( -0.707 -2.331 0.000) 2.436 ======================= Grid point 48 (29/105) ======================= q-point: ( 0.38 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.154 0.713 0.000) 0.729 1.344 ( -1.191 2.004 0.000) 2.331 1.440 ( 1.849 -1.518 0.000) 2.392 1.464 ( -0.099 -1.326 0.000) 1.330 1.578 ( 2.715 0.206 0.000) 2.723 1.579 ( -1.046 0.077 0.000) 1.049 1.585 ( -1.419 -2.817 0.000) 3.155 1.671 ( -1.961 0.480 0.000) 2.019 1.895 ( 1.466 1.247 0.000) 1.925 1.924 ( -0.774 2.253 0.000) 2.382 2.017 ( 1.943 1.413 0.000) 2.403 2.117 ( 0.455 1.925 0.000) 1.978 2.174 ( -3.493 0.724 0.000) 3.568 2.297 ( -7.386 0.769 0.000) 7.426 2.299 ( -0.994 -0.984 0.000) 1.399 2.369 ( -6.742 -1.851 0.000) 6.992 3.354 ( 4.430 4.969 0.000) 6.657 3.474 ( -1.431 2.554 0.000) 2.927 3.606 ( 2.497 2.405 0.000) 3.466 3.616 ( 2.252 7.140 0.000) 7.487 3.816 ( 6.313 -1.254 0.000) 6.437 4.041 ( -4.261 2.078 0.000) 4.741 4.048 ( 4.588 0.160 0.000) 4.590 4.162 ( -1.403 1.021 0.000) 1.735 4.807 ( -0.837 10.374 0.000) 10.408 4.898 ( -5.067 9.467 0.000) 10.738 5.328 ( -1.640 -1.607 0.000) 2.296 5.337 ( -1.909 0.169 0.000) 1.916 6.774 ( -2.326 1.707 0.000) 2.885 6.830 ( -4.773 2.601 0.000) 5.436 6.878 ( -0.583 -0.644 0.000) 0.869 6.965 ( -5.523 -0.084 0.000) 5.524 7.890 ( 0.405 4.264 0.000) 4.283 7.893 ( 1.353 2.622 0.000) 2.951 8.017 ( 3.766 -1.418 0.000) 4.024 8.123 ( -0.689 -2.695 0.000) 2.781 8.206 ( -1.030 3.072 0.000) 3.240 8.214 ( -1.479 -0.000 0.000) 1.479 8.263 ( -3.217 -0.223 0.000) 3.224 8.281 ( -4.717 0.636 0.000) 4.760 8.750 ( 0.217 5.724 0.000) 5.728 8.767 ( -0.862 5.336 0.000) 5.405 8.896 ( 1.640 3.555 0.000) 3.916 8.931 ( 0.320 2.494 0.000) 2.514 9.203 ( 3.925 -0.550 0.000) 3.964 9.279 ( 3.671 -2.690 0.000) 4.551 9.331 ( -2.201 -0.996 0.000) 2.416 9.374 ( -1.312 -2.521 0.000) 2.842 ======================= Grid point 49 (30/105) ======================= q-point: (-0.50 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.235 0.698 0.000) 1.418 1.319 ( 1.235 0.698 0.000) 1.418 1.459 ( -0.221 -2.549 0.000) 2.558 1.459 ( 0.221 -2.549 0.000) 2.558 1.567 ( -0.033 -0.565 0.000) 0.566 1.567 ( 0.033 -0.565 0.000) 0.566 1.632 ( -2.275 -0.448 0.000) 2.319 1.632 ( 2.275 -0.448 0.000) 2.319 1.917 ( -0.443 2.308 0.000) 2.350 1.917 ( 0.443 2.308 0.000) 2.350 2.087 ( -3.308 1.948 0.000) 3.839 2.087 ( 3.309 1.948 0.000) 3.839 2.170 ( -3.887 0.194 0.000) 3.892 2.170 ( 3.887 0.194 0.000) 3.891 2.292 ( -0.851 -2.137 0.000) 2.300 2.292 ( 0.851 -2.137 0.000) 2.300 3.430 ( -2.959 3.806 0.000) 4.821 3.430 ( 2.959 3.806 0.000) 4.821 3.635 ( -0.320 3.710 0.000) 3.724 3.635 ( 0.320 3.710 0.000) 3.724 3.940 ( -5.665 1.531 0.000) 5.868 3.940 ( 5.665 1.531 0.000) 5.868 4.122 ( -2.737 0.667 0.000) 2.817 4.122 ( 2.737 0.667 0.000) 2.817 4.820 ( -2.289 9.588 0.000) 9.858 4.820 ( 2.289 9.588 0.000) 9.858 5.313 ( -0.241 -1.182 0.000) 1.206 5.313 ( 0.241 -1.182 0.000) 1.206 6.763 ( -1.480 2.304 0.000) 2.738 6.763 ( 1.480 2.304 0.000) 2.738 6.891 ( -2.006 -0.508 0.000) 2.070 6.891 ( 2.006 -0.508 0.000) 2.070 7.903 ( -0.375 3.232 0.000) 3.254 7.903 ( 0.375 3.232 0.000) 3.254 8.086 ( -2.886 -2.290 0.000) 3.684 8.086 ( 2.886 -2.290 0.000) 3.684 8.205 ( -0.480 1.187 0.000) 1.280 8.205 ( 0.480 1.187 0.000) 1.280 8.221 ( -0.017 -0.375 0.000) 0.375 8.221 ( 0.017 -0.375 0.000) 0.375 8.754 ( -0.382 5.960 0.000) 5.972 8.754 ( 0.382 5.960 0.000) 5.972 8.924 ( -0.961 3.215 0.000) 3.356 8.924 ( 0.961 3.215 0.000) 3.356 9.276 ( -3.197 -0.688 0.000) 3.270 9.276 ( 3.197 -0.688 0.000) 3.270 9.339 ( -2.251 -2.609 0.000) 3.446 9.339 ( 2.251 -2.609 0.000) 3.446 ======================= Grid point 54 (31/105) ======================= q-point: ( 0.00 0.46 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -0.085 0.000) 0.085 1.336 ( 0.000 -0.678 0.000) 0.678 1.442 ( 0.000 3.108 0.000) 3.108 1.486 ( 0.000 -0.682 0.000) 0.682 1.606 ( 0.000 3.376 0.000) 3.376 1.644 ( 0.000 -0.546 0.000) 0.546 1.648 ( 0.000 3.702 0.000) 3.702 1.731 ( 0.000 -4.772 0.000) 4.772 1.933 ( 0.000 3.858 0.000) 3.858 2.012 ( 0.000 -3.300 0.000) 3.300 2.035 ( 0.000 3.696 0.000) 3.696 2.110 ( 0.000 -3.441 0.000) 3.441 2.470 ( 0.000 1.198 0.000) 1.198 2.484 ( 0.000 -0.310 0.000) 0.310 2.639 ( 0.000 3.159 0.000) 3.159 2.680 ( 0.000 -1.124 0.000) 1.124 3.240 ( 0.000 7.899 0.000) 7.899 3.405 ( 0.000 -8.140 0.000) 8.140 3.470 ( 0.000 1.804 0.000) 1.804 3.495 ( 0.000 -0.720 0.000) 0.720 3.626 ( 0.000 8.186 0.000) 8.186 3.743 ( 0.000 -3.539 0.000) 3.539 4.202 ( 0.000 1.386 0.000) 1.386 4.216 ( 0.000 0.025 0.000) 0.025 5.154 ( 0.000 12.205 0.000) 12.205 5.329 ( 0.000 8.299 0.000) 8.299 5.351 ( 0.000 -7.132 0.000) 7.132 5.441 ( 0.000 -2.543 0.000) 2.543 6.931 ( 0.000 0.744 0.000) 0.744 6.949 ( 0.000 -1.071 0.000) 1.071 7.151 ( 0.000 6.749 0.000) 6.749 7.276 ( 0.000 -5.414 0.000) 5.414 7.850 ( 0.000 1.150 0.000) 1.150 7.865 ( 0.000 -0.187 0.000) 0.187 8.083 ( 0.000 1.244 0.000) 1.244 8.096 ( 0.000 0.163 0.000) 0.163 8.439 ( 0.000 2.208 0.000) 2.208 8.445 ( 0.000 1.611 0.000) 1.611 8.488 ( 0.000 2.774 0.000) 2.774 8.500 ( 0.000 1.957 0.000) 1.957 8.807 ( 0.000 2.734 0.000) 2.734 8.837 ( 0.000 1.128 0.000) 1.128 8.851 ( 0.000 -0.123 0.000) 0.123 8.865 ( 0.000 -1.936 0.000) 1.936 8.954 ( 0.000 0.126 0.000) 0.126 8.992 ( 0.000 -2.445 0.000) 2.445 9.377 ( 0.000 -0.334 0.000) 0.334 9.380 ( 0.000 -0.590 0.000) 0.590 ======================= Grid point 55 (32/105) ======================= q-point: ( 0.12 0.46 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.769 0.186 0.000) 0.791 1.346 ( 1.012 -0.825 0.000) 1.306 1.438 ( -0.479 2.981 0.000) 3.020 1.482 ( -0.497 -0.924 0.000) 1.049 1.584 ( -1.904 3.193 0.000) 3.718 1.625 ( -1.737 -1.023 0.000) 2.015 1.643 ( -0.603 3.526 0.000) 3.577 1.724 ( -0.917 -4.730 0.000) 4.818 1.923 ( -0.570 4.833 0.000) 4.867 2.019 ( 0.772 -4.014 0.000) 4.088 2.022 ( -1.200 3.567 0.000) 3.763 2.093 ( -1.750 -3.117 0.000) 3.574 2.405 ( -5.340 1.015 0.000) 5.436 2.420 ( -5.515 -0.528 0.000) 5.540 2.599 ( -3.919 2.764 0.000) 4.796 2.635 ( -4.358 -0.973 0.000) 4.466 3.289 ( 4.241 7.776 0.000) 8.857 3.452 ( 3.924 -8.310 0.000) 9.190 3.494 ( 2.082 1.167 0.000) 2.387 3.506 ( 1.113 -0.105 0.000) 1.118 3.668 ( 4.084 8.816 0.000) 9.716 3.792 ( 4.465 -3.786 0.000) 5.854 4.191 ( -1.064 1.619 0.000) 1.937 4.209 ( -0.652 -0.120 0.000) 0.663 5.135 ( -1.885 12.167 0.000) 12.312 5.297 ( -3.126 8.685 0.000) 9.231 5.332 ( -1.814 -7.232 0.000) 7.456 5.418 ( -2.201 -3.102 0.000) 3.804 6.911 ( -1.951 0.844 0.000) 2.126 6.931 ( -1.744 -1.127 0.000) 2.076 7.111 ( -3.791 5.967 0.000) 7.069 7.219 ( -5.329 -4.536 0.000) 6.998 7.863 ( 1.260 1.351 0.000) 1.847 7.882 ( 1.635 -0.480 0.000) 1.704 8.046 ( -2.613 2.978 0.000) 3.961 8.094 ( -0.804 -1.848 0.000) 2.016 8.386 ( -3.758 3.197 0.000) 4.934 8.406 ( -5.213 4.320 0.000) 6.771 8.421 ( -3.001 -0.195 0.000) 3.008 8.476 ( -4.096 -1.980 0.000) 4.549 8.812 ( 1.161 4.419 0.000) 4.569 8.848 ( 0.920 1.994 0.000) 2.196 8.874 ( 1.963 -0.467 0.000) 2.018 8.876 ( 0.838 -0.847 0.000) 1.191 9.021 ( 5.028 -1.304 0.000) 5.194 9.031 ( 3.873 -1.504 0.000) 4.155 9.371 ( -0.597 -0.247 0.000) 0.646 9.376 ( -0.434 -0.748 0.000) 0.865 ======================= Grid point 56 (33/105) ======================= q-point: ( 0.25 0.46 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.041 1.442 0.000) 1.443 1.373 ( 1.424 -1.479 0.000) 2.054 1.420 ( -1.391 2.574 0.000) 2.926 1.462 ( -1.473 -1.332 0.000) 1.986 1.551 ( -0.732 1.528 0.000) 1.694 1.583 ( -2.004 -1.584 0.000) 2.554 1.624 ( -1.224 2.548 0.000) 2.827 1.689 ( -2.310 -3.705 0.000) 4.366 1.930 ( 1.357 5.734 0.000) 5.892 1.994 ( -1.293 2.973 0.000) 3.242 2.043 ( -2.671 -1.556 0.000) 3.091 2.045 ( 1.841 -4.897 0.000) 5.232 2.290 ( -5.623 0.816 0.000) 5.682 2.312 ( -4.106 -1.409 0.000) 4.341 2.482 ( -7.463 1.942 0.000) 7.711 2.510 ( -7.706 -0.814 0.000) 7.749 3.384 ( 4.699 7.257 0.000) 8.646 3.524 ( 0.986 1.739 0.000) 1.999 3.533 ( 3.644 -7.424 0.000) 8.270 3.551 ( 2.728 -0.705 0.000) 2.817 3.780 ( 6.551 8.547 0.000) 10.769 3.904 ( 6.029 -3.868 0.000) 7.163 4.160 ( -2.033 2.388 0.000) 3.137 4.191 ( -1.138 -0.599 0.000) 1.286 5.085 ( -2.762 12.037 0.000) 12.350 5.210 ( -5.124 9.588 0.000) 10.871 5.284 ( -2.683 -7.492 0.000) 7.958 5.356 ( -3.770 -4.517 0.000) 5.884 6.859 ( -2.861 1.251 0.000) 3.122 6.887 ( -2.328 -1.365 0.000) 2.698 7.009 ( -5.935 4.254 0.000) 7.302 7.082 ( -7.528 -2.807 0.000) 8.035 7.898 ( 2.081 1.724 0.000) 2.702 7.927 ( 2.643 -1.102 0.000) 2.864 7.997 ( -1.941 4.133 0.000) 4.566 8.071 ( -1.125 -3.447 0.000) 3.626 8.305 ( -4.512 3.173 0.000) 5.516 8.308 ( -3.701 2.470 0.000) 4.449 8.340 ( -4.479 -0.798 0.000) 4.549 8.368 ( -5.702 -2.667 0.000) 6.295 8.841 ( 1.300 4.645 0.000) 4.823 8.865 ( 0.561 3.518 0.000) 3.562 8.897 ( 1.254 -0.549 0.000) 1.369 8.914 ( 1.689 -1.250 0.000) 2.101 9.114 ( 4.686 0.186 0.000) 4.690 9.137 ( 5.312 -2.104 0.000) 5.714 9.353 ( -1.160 -0.108 0.000) 1.165 9.362 ( -0.961 -0.986 0.000) 1.377 ======================= Grid point 57 (34/105) ======================= q-point: ( 0.38 0.46 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.221 2.481 0.000) 2.491 1.383 ( -2.022 2.130 0.000) 2.937 1.393 ( 0.421 -3.033 0.000) 3.062 1.427 ( -1.830 -2.176 0.000) 2.843 1.553 ( 0.351 -0.040 0.000) 0.354 1.569 ( 1.165 -1.095 0.000) 1.599 1.596 ( -1.434 1.730 0.000) 2.247 1.644 ( -1.994 -2.667 0.000) 3.330 1.968 ( 1.998 5.735 0.000) 6.073 1.979 ( -0.003 2.891 0.000) 2.891 2.020 ( 1.147 -1.037 0.000) 1.546 2.084 ( 1.525 -4.878 0.000) 5.111 2.199 ( -2.995 2.017 0.000) 3.610 2.253 ( -1.977 -3.086 0.000) 3.664 2.315 ( -8.301 1.450 0.000) 8.427 2.344 ( -7.943 -1.166 0.000) 8.028 3.468 ( 3.392 6.260 0.000) 7.120 3.535 ( -0.041 3.419 0.000) 3.419 3.591 ( 2.036 -5.713 0.000) 6.064 3.597 ( 1.656 -2.443 0.000) 2.951 3.913 ( 6.301 7.055 0.000) 9.460 4.020 ( 5.175 -3.342 0.000) 6.160 4.107 ( -3.216 3.702 0.000) 4.904 4.161 ( -1.956 -1.415 0.000) 2.414 5.037 ( -1.515 11.766 0.000) 11.863 5.106 ( -4.697 10.540 0.000) 11.539 5.237 ( -1.660 -7.675 0.000) 7.853 5.278 ( -3.508 -6.153 0.000) 7.083 6.811 ( -1.498 2.050 0.000) 2.539 6.851 ( -0.835 -1.860 0.000) 2.039 6.890 ( -5.298 3.131 0.000) 6.153 6.943 ( -5.637 -2.033 0.000) 5.993 7.941 ( 1.920 2.303 0.000) 2.998 7.974 ( -0.409 4.153 0.000) 4.173 7.983 ( 2.801 -1.949 0.000) 3.413 8.054 ( -0.674 -3.915 0.000) 3.972 8.230 ( -2.638 1.603 0.000) 3.086 8.243 ( -2.550 1.001 0.000) 2.739 8.256 ( -3.510 -0.413 0.000) 3.534 8.267 ( -3.950 -1.711 0.000) 4.305 8.860 ( 0.618 4.854 0.000) 4.893 8.870 ( 0.055 4.666 0.000) 4.666 8.922 ( 1.112 -1.062 0.000) 1.538 8.937 ( 0.601 -1.769 0.000) 1.868 9.205 ( 4.055 0.704 0.000) 4.115 9.232 ( 3.930 -1.986 0.000) 4.403 9.323 ( -1.888 0.152 0.000) 1.894 9.337 ( -1.557 -1.257 0.000) 2.001 ======================= Grid point 58 (35/105) ======================= q-point: (-0.50 0.46 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.378 2.111 0.000) 2.521 1.346 ( 1.378 2.111 0.000) 2.521 1.400 ( -0.673 -3.093 0.000) 3.166 1.400 ( 0.673 -3.093 0.000) 3.166 1.570 ( -1.131 1.086 0.000) 1.568 1.570 ( 1.131 1.086 0.000) 1.568 1.605 ( -1.948 -2.060 0.000) 2.835 1.605 ( 1.948 -2.060 0.000) 2.835 1.990 ( -0.195 4.745 0.000) 4.749 1.990 ( 0.195 4.745 0.000) 4.749 2.076 ( -2.865 -3.057 0.000) 4.190 2.076 ( 2.865 -3.057 0.000) 4.190 2.190 ( -2.903 1.950 0.000) 3.497 2.190 ( 2.903 1.950 0.000) 3.497 2.239 ( -1.462 -2.852 0.000) 3.204 2.239 ( 1.462 -2.852 0.000) 3.204 3.519 ( -1.635 4.948 0.000) 5.211 3.519 ( 1.635 4.948 0.000) 5.211 3.613 ( -0.139 -4.086 0.000) 4.089 3.613 ( 0.139 -4.086 0.000) 4.089 4.027 ( -4.793 5.350 0.000) 7.183 4.027 ( 4.793 5.350 0.000) 7.183 4.107 ( -3.447 -2.415 0.000) 4.209 4.107 ( 3.447 -2.415 0.000) 4.209 5.038 ( -1.745 11.280 0.000) 11.414 5.038 ( 1.745 11.280 0.000) 11.414 5.229 ( -1.084 -7.315 0.000) 7.395 5.229 ( 1.084 -7.315 0.000) 7.395 6.814 ( -1.973 2.721 0.000) 3.361 6.814 ( 1.973 2.721 0.000) 3.361 6.863 ( -2.217 -2.118 0.000) 3.066 6.863 ( 2.217 -2.118 0.000) 3.066 7.968 ( -0.617 3.298 0.000) 3.355 7.968 ( 0.617 3.298 0.000) 3.355 8.032 ( -1.770 -3.110 0.000) 3.579 8.032 ( 1.770 -3.110 0.000) 3.579 8.209 ( -0.638 0.413 0.000) 0.760 8.209 ( 0.638 0.413 0.000) 0.760 8.221 ( -0.426 -0.480 0.000) 0.642 8.221 ( 0.426 -0.480 0.000) 0.642 8.868 ( -0.252 5.073 0.000) 5.079 8.868 ( 0.252 5.073 0.000) 5.079 8.939 ( -0.432 -1.664 0.000) 1.719 8.939 ( 0.432 -1.664 0.000) 1.719 9.275 ( -2.888 0.525 0.000) 2.936 9.275 ( 2.888 0.525 0.000) 2.936 9.296 ( -2.517 -1.622 0.000) 2.994 9.296 ( 2.517 -1.622 0.000) 2.994 ======================= Grid point 117 (36/105) ======================= q-point: ( 0.00 0.00 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 0.000 0.000 17.326) 17.326 0.359 ( 0.000 0.000 17.438) 17.438 0.631 ( 0.000 0.000 28.577) 28.577 0.707 ( 0.000 0.000 -3.685) 3.685 0.901 ( 0.000 0.000 -6.297) 6.297 1.048 ( 0.000 0.000 0.062) 0.062 1.054 ( 0.000 0.000 -0.204) 0.204 1.361 ( 0.000 0.000 19.062) 19.062 1.524 ( 0.000 0.000 6.752) 6.752 1.526 ( 0.000 0.000 -12.411) 12.411 1.744 ( 0.000 0.000 6.206) 6.206 1.765 ( 0.000 0.000 5.345) 5.345 1.838 ( 0.000 0.000 -6.900) 6.900 1.976 ( 0.000 0.000 -4.733) 4.733 1.980 ( 0.000 0.000 -4.175) 4.175 2.158 ( 0.000 0.000 -16.440) 16.440 2.430 ( 0.000 0.000 0.813) 0.813 2.541 ( 0.000 0.000 -2.214) 2.214 3.453 ( 0.000 0.000 5.260) 5.260 3.578 ( 0.000 0.000 -1.849) 1.849 3.915 ( 0.000 0.000 3.495) 3.495 4.102 ( 0.000 0.000 -4.845) 4.845 4.284 ( 0.000 0.000 1.165) 1.165 4.299 ( 0.000 0.000 0.933) 0.933 5.068 ( 0.000 0.000 4.079) 4.079 5.290 ( 0.000 0.000 -6.675) 6.675 5.529 ( 0.000 0.000 3.513) 3.513 5.610 ( 0.000 0.000 -1.028) 1.028 5.844 ( 0.000 0.000 9.650) 9.650 6.172 ( 0.000 0.000 9.960) 9.960 6.303 ( 0.000 0.000 -10.862) 10.862 6.720 ( 0.000 0.000 -17.009) 17.009 7.362 ( 0.000 0.000 9.564) 9.564 7.570 ( 0.000 0.000 -2.271) 2.271 7.579 ( 0.000 0.000 2.237) 2.237 7.584 ( 0.000 0.000 2.894) 2.894 7.646 ( 0.000 0.000 -0.989) 0.989 7.738 ( 0.000 0.000 -4.178) 4.178 8.107 ( 0.000 0.000 1.793) 1.793 8.143 ( 0.000 0.000 -0.053) 0.053 8.697 ( 0.000 0.000 1.810) 1.810 8.816 ( 0.000 0.000 -3.677) 3.677 8.873 ( 0.000 0.000 1.710) 1.710 8.937 ( 0.000 0.000 -0.982) 0.982 9.292 ( 0.000 0.000 1.160) 1.160 9.331 ( 0.000 0.000 -0.637) 0.637 9.712 ( 0.000 0.000 0.066) 0.066 9.713 ( 0.000 0.000 0.051) 0.051 ======================= Grid point 118 (37/105) ======================= q-point: ( 0.12 0.00 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 11.088 0.000 11.389) 15.895 0.539 ( 14.417 0.000 12.903) 19.347 0.762 ( 4.968 0.000 -3.097) 5.854 0.889 ( 16.445 0.000 0.582) 16.456 0.991 ( 14.389 0.000 10.869) 18.033 1.058 ( 0.833 0.000 0.032) 0.833 1.062 ( 0.700 0.000 -0.117) 0.709 1.366 ( 0.714 0.000 16.346) 16.362 1.555 ( 2.957 0.000 6.589) 7.222 1.582 ( 4.025 0.000 -9.300) 10.133 1.688 ( -4.311 0.000 4.526) 6.251 1.777 ( 1.082 0.000 5.050) 5.165 1.861 ( 2.172 0.000 -6.433) 6.790 1.963 ( -1.165 0.000 -4.095) 4.257 1.991 ( 0.981 0.000 -4.124) 4.239 2.150 ( -2.284 0.000 -12.139) 12.352 2.453 ( 1.733 0.000 -3.965) 4.328 2.496 ( -2.576 0.000 -2.858) 3.848 3.411 ( -3.393 0.000 6.993) 7.772 3.589 ( 0.250 0.000 -2.566) 2.578 3.956 ( 3.317 0.000 2.783) 4.330 4.126 ( 2.350 0.000 -4.716) 5.269 4.269 ( -1.353 0.000 1.612) 2.105 4.296 ( -0.012 0.000 0.792) 0.792 5.073 ( 0.534 0.000 3.602) 3.642 5.204 ( -5.609 0.000 1.429) 5.789 5.436 ( -1.323 0.000 4.854) 5.031 5.580 ( -3.253 0.000 -1.871) 3.753 5.857 ( 1.321 0.000 9.688) 9.778 6.159 ( -1.227 0.000 9.897) 9.973 6.320 ( 1.635 0.000 -10.955) 11.077 6.701 ( -1.790 0.000 -16.601) 16.697 7.330 ( -2.698 0.000 8.391) 8.814 7.473 ( -4.890 0.000 -0.130) 4.891 7.674 ( 4.633 0.000 0.172) 4.636 7.682 ( 3.065 0.000 -0.173) 3.070 7.801 ( 5.898 0.000 -2.526) 6.416 7.845 ( 11.418 0.000 -8.559) 14.270 8.088 ( -0.804 0.000 2.675) 2.793 8.169 ( 1.554 0.000 -1.038) 1.869 8.724 ( 0.377 0.000 -1.435) 1.484 8.806 ( -0.488 0.000 -3.794) 3.826 8.864 ( -1.118 0.000 1.384) 1.779 8.909 ( -2.287 0.000 -0.007) 2.287 9.295 ( 0.891 0.000 2.731) 2.873 9.349 ( 1.847 0.000 -0.688) 1.971 9.687 ( -1.354 0.000 0.688) 1.518 9.726 ( 0.220 0.000 -0.853) 0.881 ======================= Grid point 119 (38/105) ======================= q-point: ( 0.25 0.00 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 10.966 0.000 5.662) 12.342 0.819 ( 12.796 0.000 14.171) 19.093 0.881 ( 6.220 0.000 -1.992) 6.531 1.076 ( 0.761 0.000 0.046) 0.762 1.079 ( 0.805 0.000 -0.010) 0.805 1.115 ( 11.325 0.000 -3.396) 11.823 1.355 ( 3.062 0.000 11.682) 12.077 1.476 ( 18.012 0.000 4.412) 18.544 1.556 ( -4.367 0.000 1.330) 4.565 1.634 ( 4.485 0.000 6.170) 7.628 1.689 ( 2.471 0.000 -2.793) 3.729 1.802 ( 1.136 0.000 4.658) 4.795 1.918 ( 3.201 0.000 -5.545) 6.402 1.936 ( -1.509 0.000 -2.743) 3.131 2.014 ( 1.169 0.000 -4.033) 4.199 2.054 ( -6.190 0.000 -5.815) 8.493 2.395 ( -1.791 0.000 0.682) 1.917 2.610 ( 9.962 0.000 -12.631) 16.087 3.330 ( -4.677 0.000 9.048) 10.185 3.557 ( -3.975 0.000 -3.504) 5.299 4.026 ( 3.325 0.000 2.646) 4.249 4.183 ( 2.482 0.000 -4.020) 4.725 4.240 ( -0.891 0.000 2.112) 2.293 4.302 ( 0.617 0.000 -0.031) 0.618 5.089 ( 0.965 0.000 2.868) 3.026 5.132 ( -1.873 0.000 2.884) 3.439 5.431 ( -0.119 0.000 -0.276) 0.301 5.503 ( -3.801 0.000 -2.237) 4.411 5.895 ( 2.384 0.000 9.775) 10.062 6.124 ( -2.175 0.000 9.832) 10.070 6.366 ( 2.875 0.000 -11.312) 11.672 6.651 ( -3.038 0.000 -15.531) 15.825 7.274 ( -2.490 0.000 6.580) 7.035 7.379 ( -4.370 0.000 0.184) 4.373 7.750 ( 3.334 0.000 0.538) 3.377 7.758 ( 3.558 0.000 0.251) 3.567 7.936 ( 6.716 0.000 -0.418) 6.729 7.999 ( 5.210 0.000 -3.585) 6.324 8.088 ( 0.788 0.000 3.041) 3.142 8.193 ( 0.763 0.000 -1.725) 1.887 8.691 ( -2.659 0.000 0.788) 2.773 8.799 ( -0.638 0.000 -4.247) 4.295 8.819 ( -3.267 0.000 0.926) 3.396 8.857 ( -2.704 0.000 -0.567) 2.763 9.338 ( 3.340 0.000 2.628) 4.250 9.407 ( 3.874 0.000 -1.033) 4.009 9.653 ( -2.127 0.000 1.420) 2.558 9.720 ( -0.984 0.000 -1.456) 1.757 ======================= Grid point 120 (39/105) ======================= q-point: ( 0.38 0.00 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 7.529 0.000 2.649) 7.981 0.994 ( 4.651 0.000 -1.055) 4.769 1.044 ( 9.288 0.000 14.460) 17.186 1.078 ( -0.793 0.000 0.323) 0.857 1.087 ( -0.151 0.000 -0.117) 0.191 1.320 ( -3.668 0.000 8.480) 9.239 1.366 ( 11.498 0.000 1.427) 11.586 1.528 ( 2.600 0.000 -1.046) 2.802 1.677 ( 0.189 0.000 -2.327) 2.335 1.711 ( -0.737 0.000 -1.248) 1.449 1.724 ( 4.088 0.000 5.592) 6.927 1.814 ( -0.159 0.000 4.639) 4.642 1.883 ( -3.545 0.000 -3.973) 5.325 1.930 ( -5.928 0.000 -4.930) 7.710 1.981 ( 2.726 0.000 -4.774) 5.497 2.031 ( 0.303 0.000 -4.038) 4.049 2.526 ( 14.632 0.000 4.472) 15.300 2.828 ( 9.655 0.000 -11.915) 15.336 3.221 ( -5.548 0.000 7.937) 9.684 3.422 ( -8.994 0.000 -3.727) 9.736 4.087 ( 2.729 0.000 3.143) 4.162 4.182 ( -1.742 0.000 2.395) 2.962 4.267 ( 2.530 0.000 -2.701) 3.701 4.315 ( 0.369 0.000 -1.246) 1.299 5.107 ( 0.616 0.000 2.633) 2.705 5.113 ( -0.246 0.000 2.862) 2.873 5.422 ( -0.647 0.000 -2.045) 2.145 5.440 ( -2.260 0.000 -2.311) 3.232 5.951 ( 2.991 0.000 9.842) 10.286 6.073 ( -2.799 0.000 9.819) 10.210 6.432 ( 3.566 0.000 -11.929) 12.450 6.583 ( -3.633 0.000 -14.151) 14.610 7.240 ( -0.682 0.000 4.638) 4.688 7.300 ( -3.336 0.000 1.056) 3.499 7.807 ( 2.096 0.000 0.675) 2.202 7.813 ( 1.860 0.000 0.399) 1.902 8.050 ( 4.199 0.000 0.171) 4.203 8.077 ( 2.378 0.000 -0.628) 2.459 8.122 ( 2.546 0.000 1.656) 3.037 8.197 ( -0.454 0.000 -1.406) 1.477 8.649 ( -0.939 0.000 2.290) 2.475 8.741 ( -4.193 0.000 1.234) 4.371 8.781 ( -0.907 0.000 -3.730) 3.839 8.805 ( -2.267 0.000 -1.609) 2.780 9.421 ( 4.530 0.000 2.059) 4.976 9.498 ( 4.589 0.000 -1.710) 4.897 9.601 ( -2.857 0.000 2.153) 3.577 9.682 ( -2.786 0.000 -1.625) 3.225 ======================= Grid point 121 (40/105) ======================= q-point: (-0.50 0.00 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.603 0.000 1.106) 3.769 1.032 ( 3.603 0.000 1.106) 3.769 1.066 ( -2.042 0.000 -0.472) 2.095 1.066 ( 2.042 0.000 -0.472) 2.095 1.202 ( -6.738 0.000 11.931) 13.702 1.202 ( 6.738 0.000 11.931) 13.702 1.593 ( -7.477 0.000 0.079) 7.478 1.593 ( 7.477 0.000 0.079) 7.478 1.622 ( -3.509 0.000 -1.430) 3.789 1.622 ( 3.509 0.000 -1.430) 3.789 1.790 ( -2.267 0.000 5.006) 5.496 1.790 ( 2.267 0.000 5.006) 5.496 1.848 ( -1.173 0.000 -5.784) 5.901 1.848 ( 1.173 0.000 -5.784) 5.901 2.022 ( -1.257 0.000 -4.266) 4.447 2.022 ( 1.257 0.000 -4.266) 4.447 2.832 ( -11.366 0.000 0.292) 11.370 2.832 ( 11.366 0.000 0.292) 11.370 3.230 ( -8.079 0.000 -1.955) 8.312 3.230 ( 8.079 0.000 -1.955) 8.312 4.139 ( -2.415 0.000 3.567) 4.308 4.139 ( 2.415 0.000 3.567) 4.308 4.308 ( -1.224 0.000 -2.477) 2.763 4.308 ( 1.224 0.000 -2.477) 2.763 5.112 ( -0.050 0.000 2.781) 2.782 5.112 ( 0.050 0.000 2.781) 2.782 5.415 ( -0.243 0.000 -2.433) 2.445 5.415 ( 0.243 0.000 -2.433) 2.445 6.013 ( -3.096 0.000 9.843) 10.319 6.013 ( 3.096 0.000 9.843) 10.319 6.507 ( -3.776 0.000 -12.867) 13.410 6.507 ( 3.776 0.000 -12.867) 13.410 7.249 ( -1.562 0.000 2.638) 3.066 7.249 ( 1.562 0.000 2.638) 3.066 7.831 ( -0.176 0.000 0.568) 0.595 7.831 ( 0.176 0.000 0.568) 0.595 8.097 ( -0.452 0.000 0.398) 0.602 8.097 ( 0.452 0.000 0.398) 0.602 8.172 ( -2.014 0.000 -0.244) 2.029 8.172 ( 2.014 0.000 -0.244) 2.029 8.666 ( -2.630 0.000 2.057) 3.339 8.666 ( 2.630 0.000 2.057) 3.339 8.775 ( -0.541 0.000 -2.776) 2.829 8.775 ( 0.541 0.000 -2.776) 2.829 9.509 ( -3.823 0.000 1.299) 4.038 9.509 ( 3.823 0.000 1.299) 4.038 9.610 ( -3.999 0.000 -0.983) 4.118 9.610 ( 3.999 0.000 -0.983) 4.118 ======================= Grid point 126 (41/105) ======================= q-point: ( 0.00 0.08 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 13.769 10.016) 17.027 0.501 ( 0.000 12.128 12.610) 17.496 0.865 ( 0.000 12.108 -3.206) 12.525 0.889 ( 0.000 13.616 -4.623) 14.379 1.022 ( 0.000 17.555 9.109) 19.778 1.171 ( 0.000 10.472 0.772) 10.500 1.199 ( 0.000 12.513 -0.060) 12.513 1.390 ( 0.000 3.709 14.271) 14.745 1.508 ( 0.000 0.210 -10.381) 10.383 1.711 ( 0.000 -0.870 4.274) 4.362 1.833 ( 0.000 -4.939 -7.779) 9.214 1.868 ( 0.000 16.436 -0.587) 16.446 1.869 ( 0.000 -1.778 -3.699) 4.104 1.926 ( 0.000 12.796 6.480) 14.343 2.091 ( 0.000 9.731 -4.455) 10.702 2.291 ( 0.000 5.503 -4.490) 7.103 2.485 ( 0.000 7.488 -5.944) 9.560 2.544 ( 0.000 0.517 -2.247) 2.306 3.453 ( 0.000 0.065 4.663) 4.663 3.560 ( 0.000 -1.532 -1.472) 2.125 3.894 ( 0.000 -1.988 3.406) 3.943 4.073 ( 0.000 -2.860 -4.418) 5.263 4.263 ( 0.000 -1.856 1.245) 2.235 4.280 ( 0.000 -1.548 0.840) 1.762 5.076 ( 0.000 0.959 1.682) 1.936 5.181 ( 0.000 -9.161 -3.501) 9.808 5.185 ( 0.000 -8.307 4.755) 9.571 5.296 ( 0.000 -17.710 0.088) 17.710 6.275 ( 0.000 11.884 7.041) 13.813 6.545 ( 0.000 17.671 -5.788) 18.594 6.864 ( 0.000 12.670 -10.939) 16.739 7.040 ( 0.000 41.588 -35.453) 54.648 7.367 ( 0.000 0.528 8.294) 8.311 7.560 ( 0.000 -1.013 -2.383) 2.589 7.606 ( 0.000 2.688 2.209) 3.479 7.625 ( 0.000 4.088 1.801) 4.467 7.664 ( 0.000 1.628 -0.844) 1.834 7.755 ( 0.000 1.592 -3.727) 4.053 8.127 ( 0.000 2.157 1.747) 2.776 8.164 ( 0.000 2.029 -0.068) 2.031 8.704 ( 0.000 0.688 1.592) 1.734 8.811 ( 0.000 -0.572 -3.265) 3.315 8.842 ( 0.000 -2.798 1.622) 3.234 8.892 ( 0.000 -3.694 0.140) 3.697 9.255 ( 0.000 -2.691 2.696) 3.810 9.315 ( 0.000 -1.587 -0.779) 1.768 9.683 ( 0.000 -2.795 0.022) 2.795 9.684 ( 0.000 -2.785 0.005) 2.785 ======================= Grid point 127 (42/105) ======================= q-point: ( 0.12 0.08 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 10.242 9.564 9.724) 17.057 0.671 ( 12.321 10.714 6.016) 17.401 0.916 ( 3.839 10.502 -5.123) 12.299 0.962 ( 6.909 7.498 -6.832) 12.273 1.138 ( 9.715 14.464 9.634) 19.910 1.192 ( 2.936 12.317 1.394) 12.738 1.215 ( 3.360 13.160 1.640) 13.680 1.385 ( -0.009 2.490 12.103) 12.357 1.562 ( 3.623 0.234 -7.438) 8.277 1.662 ( -3.496 -1.369 2.845) 4.710 1.812 ( -2.535 14.297 1.991) 14.656 1.855 ( 0.601 2.292 -3.783) 4.464 1.882 ( 1.257 -4.373 -3.915) 6.003 1.938 ( 1.356 11.465 6.093) 13.055 2.090 ( 0.005 9.628 -4.257) 10.527 2.245 ( -4.364 4.751 -3.447) 7.314 2.477 ( -3.323 1.395 -2.155) 4.199 2.549 ( 3.738 7.283 -8.026) 11.464 3.411 ( -3.394 0.061 6.237) 7.101 3.571 ( 0.192 -1.660 -2.337) 2.873 3.934 ( 3.419 -1.968 2.957) 4.930 4.099 ( 2.450 -2.767 -4.313) 5.680 4.248 ( -1.314 -1.844 1.675) 2.817 4.279 ( -0.011 -1.580 0.470) 1.648 5.076 ( 0.095 0.207 1.322) 1.342 5.120 ( -2.331 -5.153 0.632) 5.691 5.252 ( 2.821 -10.863 0.196) 11.225 5.309 ( 0.786 -16.860 -0.319) 16.881 6.262 ( -1.268 12.666 6.690) 14.380 6.537 ( -1.513 17.412 -6.486) 18.642 6.590 ( -21.993 37.358 -2.559) 43.426 6.829 ( -3.582 11.227 -12.138) 16.917 7.346 ( -1.972 1.647 7.384) 7.819 7.493 ( -4.184 1.797 -1.055) 4.674 7.683 ( 4.019 1.567 -0.235) 4.320 7.687 ( 2.727 1.014 -0.145) 2.913 7.818 ( 5.719 1.346 -2.017) 6.212 7.855 ( 10.108 0.701 -6.476) 12.025 8.110 ( -0.788 2.249 2.406) 3.387 8.184 ( 1.158 1.479 -0.879) 2.074 8.726 ( 0.505 0.260 -0.836) 1.011 8.799 ( -0.742 -0.772 -3.215) 3.388 8.839 ( -0.761 -2.322 1.295) 2.765 8.878 ( -1.539 -2.819 0.109) 3.213 9.267 ( 1.339 -2.363 2.831) 3.923 9.332 ( 1.825 -1.622 -0.859) 2.588 9.657 ( -1.416 -2.823 0.838) 3.268 9.697 ( 0.253 -2.796 -0.866) 2.939 ======================= Grid point 128 (43/105) ======================= q-point: ( 0.25 0.08 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 11.059 6.151 9.180) 15.634 0.897 ( 9.875 9.944 4.154) 14.617 1.011 ( 5.308 10.165 -2.257) 11.688 1.126 ( 8.284 4.147 -3.546) 9.919 1.200 ( 1.208 10.804 0.687) 10.893 1.236 ( 2.863 11.822 -0.963) 12.201 1.377 ( -0.817 1.830 9.183) 9.399 1.520 ( 15.760 5.077 2.102) 16.691 1.548 ( -2.675 1.197 1.124) 3.138 1.668 ( 2.272 -1.136 -2.946) 3.890 1.802 ( 1.183 10.687 3.044) 11.175 1.867 ( 0.717 2.609 1.087) 2.916 1.900 ( -0.097 -1.727 -4.509) 4.829 1.967 ( 1.178 8.529 3.821) 9.420 2.089 ( -0.816 7.662 -3.945) 8.657 2.143 ( -4.237 5.347 -2.269) 7.190 2.419 ( 0.285 3.142 1.933) 3.700 2.684 ( 8.916 7.202 -12.176) 16.722 3.330 ( -4.586 0.216 8.044) 9.262 3.539 ( -3.793 -1.629 -3.268) 5.265 4.008 ( 3.532 -1.646 2.603) 4.686 4.158 ( 2.668 -2.545 -3.839) 5.323 4.220 ( -0.942 -1.862 2.299) 3.105 4.283 ( 0.389 -1.897 -0.232) 1.951 5.082 ( 0.518 -0.912 0.770) 1.301 5.090 ( -0.666 -2.906 0.762) 3.078 5.290 ( 0.917 -11.190 -0.582) 11.243 5.313 ( -0.424 -14.166 -0.722) 14.191 6.219 ( -3.043 18.201 5.826) 19.351 6.297 ( -6.771 21.628 9.168) 24.447 6.537 ( 0.354 13.637 -7.931) 15.780 6.748 ( -4.153 8.324 -12.376) 15.483 7.305 ( -1.761 3.453 5.660) 6.860 7.411 ( -3.876 3.238 -0.410) 5.067 7.746 ( 2.964 0.005 0.251) 2.975 7.760 ( 3.226 0.862 -0.337) 3.356 7.948 ( 6.553 0.960 -0.196) 6.626 7.999 ( 5.290 -0.061 -2.808) 5.990 8.108 ( 0.597 2.068 2.592) 3.369 8.200 ( 0.391 0.684 -1.428) 1.631 8.699 ( -2.529 0.752 0.535) 2.692 8.786 ( -0.928 -1.366 -3.314) 3.703 8.802 ( -2.873 -1.647 0.628) 3.371 8.834 ( -2.620 -2.229 -0.478) 3.473 9.315 ( 3.400 -2.148 2.551) 4.763 9.390 ( 3.782 -1.702 -1.216) 4.322 9.624 ( -2.003 -2.753 1.550) 3.740 9.692 ( -0.924 -2.717 -1.433) 3.208 ======================= Grid point 129 (44/105) ======================= q-point: ( 0.38 0.08 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 7.687 5.651 6.919) 11.786 1.067 ( 6.642 7.129 5.553) 11.215 1.116 ( 4.747 10.379 -0.904) 11.449 1.203 ( -0.043 10.208 -0.127) 10.208 1.218 ( 0.494 10.740 0.647) 10.771 1.315 ( -3.641 0.683 6.234) 7.251 1.392 ( 9.935 3.325 0.128) 10.477 1.538 ( 2.313 1.478 -0.781) 2.854 1.669 ( -1.029 -0.696 -1.701) 2.107 1.705 ( 0.239 0.262 -2.683) 2.706 1.832 ( -1.566 -0.335 -2.539) 3.002 1.860 ( 2.033 7.200 2.658) 7.940 1.882 ( -2.521 1.622 -2.501) 3.904 1.961 ( -1.495 9.582 3.819) 10.423 2.065 ( 0.628 4.693 -3.625) 5.964 2.112 ( -0.532 6.474 -1.657) 6.704 2.571 ( 13.974 5.038 4.844) 15.624 2.877 ( 8.463 4.978 -11.080) 14.804 3.224 ( -5.375 0.507 7.083) 8.906 3.414 ( -8.243 -0.638 -3.595) 9.016 4.071 ( 2.760 -1.435 2.914) 4.262 4.163 ( -1.565 -1.827 1.914) 3.074 4.244 ( 2.423 -2.393 -2.098) 4.000 4.291 ( 0.212 -2.349 -1.177) 2.636 5.087 ( 0.252 -1.954 0.860) 2.150 5.093 ( 0.367 -1.377 0.597) 1.545 5.293 ( -0.401 -11.415 -0.978) 11.464 5.299 ( -0.691 -11.412 -0.991) 11.476 6.174 ( -0.753 18.597 7.858) 20.203 6.222 ( -2.353 13.761 9.112) 16.671 6.558 ( 1.633 10.361 -9.062) 13.862 6.668 ( -3.652 7.254 -11.372) 13.974 7.282 ( -0.322 4.735 3.733) 6.038 7.340 ( -2.977 4.330 0.481) 5.276 7.798 ( 1.990 -0.357 0.327) 2.048 7.809 ( 1.579 0.202 -0.160) 1.600 8.063 ( 4.416 0.942 0.189) 4.520 8.088 ( 3.356 0.615 -1.034) 3.566 8.130 ( 1.502 1.221 1.896) 2.709 8.197 ( -0.695 0.079 -1.125) 1.325 8.654 ( -1.300 0.541 1.891) 2.358 8.728 ( -3.863 -1.193 1.061) 4.180 8.764 ( -1.130 -1.613 -3.144) 3.710 8.782 ( -2.203 -2.163 -1.361) 3.374 9.398 ( 4.466 -2.201 2.009) 5.369 9.476 ( 4.237 -2.078 -1.855) 5.071 9.576 ( -2.538 -2.373 2.249) 4.139 9.656 ( -2.645 -2.519 -1.553) 3.970 ======================= Grid point 130 (45/105) ======================= q-point: (-0.50 0.08 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -1.678 7.297 3.512) 8.270 1.134 ( 1.678 7.297 3.512) 8.270 1.186 ( -1.212 9.830 0.088) 9.905 1.186 ( 1.212 9.830 0.088) 9.905 1.231 ( -2.922 5.382 6.101) 8.644 1.231 ( 2.922 5.382 6.101) 8.644 1.592 ( -7.614 0.062 -1.377) 7.738 1.592 ( 7.614 0.062 -1.377) 7.738 1.620 ( -5.352 0.499 -0.672) 5.417 1.620 ( 5.352 0.499 -0.672) 5.417 1.817 ( -1.595 -1.194 -5.239) 5.605 1.817 ( 1.595 -1.194 -5.239) 5.605 1.924 ( -2.522 10.753 4.243) 11.832 1.924 ( 2.522 10.753 4.243) 11.832 2.093 ( -1.407 5.190 -2.292) 5.846 2.093 ( 1.407 5.190 -2.292) 5.846 2.862 ( -11.320 3.303 0.785) 11.819 2.862 ( 11.320 3.303 0.785) 11.819 3.237 ( -7.675 0.914 -2.345) 8.077 3.237 ( 7.675 0.914 -2.345) 8.077 4.123 ( -2.307 -1.549 3.197) 4.236 4.123 ( 2.307 -1.549 3.197) 4.236 4.283 ( -1.194 -2.507 -2.163) 3.519 4.283 ( 1.194 -2.507 -2.163) 3.519 5.094 ( -0.240 -1.540 0.768) 1.737 5.094 ( 0.240 -1.540 0.768) 1.737 5.289 ( -0.175 -10.994 -1.108) 11.051 5.289 ( 0.175 -10.994 -1.108) 11.051 6.183 ( -1.387 15.037 8.631) 17.393 6.183 ( 1.387 15.037 8.631) 17.393 6.602 ( -2.756 8.036 -10.121) 13.214 6.602 ( 2.756 8.036 -10.121) 13.214 7.294 ( -1.485 4.972 1.892) 5.524 7.294 ( 1.485 4.972 1.892) 5.524 7.822 ( -0.325 -0.251 0.128) 0.431 7.822 ( 0.325 -0.251 0.128) 0.431 8.116 ( -0.702 1.607 0.200) 1.765 8.116 ( 0.702 1.607 0.200) 1.765 8.170 ( -2.003 -0.219 -0.091) 2.017 8.170 ( 2.003 -0.219 -0.091) 2.017 8.662 ( -2.135 -0.356 1.782) 2.804 8.662 ( 2.135 -0.356 1.782) 2.804 8.754 ( -0.376 -1.981 -2.363) 3.106 8.754 ( 0.376 -1.981 -2.363) 3.106 9.484 ( -3.617 -2.454 1.134) 4.516 9.484 ( 3.617 -2.454 1.134) 4.516 9.588 ( -3.722 -2.116 -0.819) 4.359 9.588 ( 3.722 -2.116 -0.819) 4.359 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.15 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 15.314 4.830) 16.058 0.790 ( 0.000 15.746 2.334) 15.918 1.054 ( 0.000 9.402 -9.292) 13.219 1.093 ( 0.000 6.050 -10.139) 11.807 1.378 ( 0.000 10.108 7.610) 12.653 1.397 ( 0.000 10.236 3.495) 10.816 1.475 ( 0.000 14.454 -1.152) 14.500 1.543 ( 0.000 11.802 6.413) 13.432 1.585 ( 0.000 6.569 -3.602) 7.492 1.725 ( 0.000 4.223 4.489) 6.164 1.760 ( 0.000 0.539 -4.789) 4.820 1.865 ( 0.000 0.097 -2.702) 2.704 2.156 ( 0.000 12.629 2.664) 12.907 2.200 ( 0.000 14.191 5.921) 15.377 2.271 ( 0.000 5.918 -1.881) 6.210 2.335 ( 0.000 2.130 2.640) 3.392 2.582 ( 0.000 4.274 -1.591) 4.560 2.703 ( 0.000 11.984 -9.355) 15.203 3.457 ( 0.000 0.335 2.936) 2.955 3.520 ( 0.000 -2.491 -0.755) 2.603 3.843 ( 0.000 -2.975 3.095) 4.293 3.990 ( 0.000 -5.317 -3.248) 6.231 4.220 ( 0.000 -2.349 1.084) 2.587 4.240 ( 0.000 -2.390 0.121) 2.394 4.949 ( 0.000 -13.825 2.358) 14.025 5.019 ( 0.000 -7.515 2.600) 7.952 5.082 ( 0.000 -0.772 -4.121) 4.193 5.136 ( 0.000 2.804 -2.193) 3.560 6.549 ( 0.000 14.103 6.110) 15.370 6.829 ( 0.000 9.531 -6.739) 11.673 7.107 ( 0.000 7.456 4.185) 8.551 7.423 ( 0.000 7.982 3.493) 8.713 7.450 ( 0.000 1.523 -9.440) 9.562 7.607 ( 0.000 10.488 -9.182) 13.939 7.674 ( 0.000 3.919 2.198) 4.493 7.710 ( 0.000 3.187 0.134) 3.190 7.755 ( 0.000 8.988 -1.328) 9.086 7.802 ( 0.000 3.794 -3.706) 5.303 8.200 ( 0.000 5.364 1.075) 5.471 8.220 ( 0.000 3.560 0.197) 3.565 8.723 ( 0.000 1.013 0.823) 1.305 8.780 ( 0.000 -2.839 1.542) 3.231 8.785 ( 0.000 -2.913 -1.585) 3.316 8.821 ( 0.000 -2.455 -0.255) 2.468 9.201 ( 0.000 -2.716 2.379) 3.610 9.270 ( 0.000 -2.811 -1.023) 2.991 9.610 ( 0.000 -4.353 -0.051) 4.354 9.611 ( 0.000 -4.338 -0.076) 4.339 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.12 0.15 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 5.968 13.807 2.036) 15.178 0.889 ( 9.108 11.172 3.813) 14.910 1.066 ( 2.112 7.206 -7.913) 10.908 1.152 ( 4.916 7.424 -8.206) 12.109 1.389 ( 1.213 8.453 5.712) 10.274 1.424 ( 1.355 6.480 4.510) 8.010 1.484 ( 0.824 14.100 -1.437) 14.197 1.556 ( 2.909 12.828 3.839) 13.703 1.630 ( 2.779 4.452 -2.393) 5.768 1.676 ( -2.562 6.097 1.260) 6.732 1.813 ( 3.229 1.200 -1.885) 3.927 1.856 ( -0.721 0.263 -2.040) 2.180 2.107 ( -3.668 10.526 4.001) 11.843 2.204 ( 0.235 13.274 4.572) 14.041 2.259 ( -1.718 5.430 -2.195) 6.104 2.316 ( -2.071 4.420 1.012) 4.985 2.543 ( -1.878 7.109 0.634) 7.381 2.752 ( 4.215 11.280 -9.163) 15.131 3.417 ( -3.095 0.556 4.164) 5.218 3.529 ( 0.063 -2.409 -1.624) 2.906 3.885 ( 3.737 -2.741 2.668) 5.347 4.019 ( 2.625 -5.205 -3.076) 6.591 4.205 ( -1.318 -2.329 1.415) 3.027 4.237 ( -0.270 -2.569 -0.129) 2.586 4.949 ( 0.080 -13.305 2.460) 13.530 5.019 ( 0.049 -6.145 2.016) 6.467 5.093 ( 0.775 -2.907 -3.520) 4.631 5.142 ( 0.485 1.990 -2.309) 3.087 6.539 ( -0.946 13.919 5.945) 15.165 6.807 ( -1.994 9.082 -6.233) 11.194 7.034 ( -6.311 7.532 1.150) 9.893 7.142 ( -20.311 15.690 -3.615) 25.918 7.429 ( 0.382 8.542 3.259) 9.150 7.548 ( -1.794 4.665 -2.324) 5.512 7.726 ( 1.939 3.588 0.663) 4.131 7.774 ( 2.123 7.126 -1.996) 7.699 7.840 ( 6.069 0.718 -1.085) 6.207 7.889 ( 6.853 3.796 -3.957) 8.777 8.181 ( -1.108 4.919 1.539) 5.272 8.227 ( 0.090 2.840 -0.390) 2.868 8.732 ( 0.373 0.087 -0.594) 0.707 8.771 ( -0.785 -2.152 -1.396) 2.683 8.791 ( -0.259 -1.983 0.932) 2.206 8.815 ( -0.676 -2.748 0.144) 2.834 9.214 ( 1.411 -2.788 2.390) 3.934 9.288 ( 1.827 -2.753 -1.187) 3.511 9.585 ( -1.381 -4.175 0.852) 4.479 9.624 ( 0.294 -4.407 -0.836) 4.495 ======================= Grid point 137 (48/105) ======================= q-point: ( 0.25 0.15 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 6.780 8.937 3.803) 11.845 1.091 ( 9.550 8.014 1.986) 12.624 1.156 ( 6.532 5.386 -3.967) 9.349 1.268 ( 6.086 7.666 -5.817) 11.386 1.414 ( -1.862 5.093 4.770) 7.222 1.425 ( 1.833 6.603 3.913) 7.892 1.505 ( 1.242 13.357 -1.658) 13.517 1.612 ( -0.888 6.508 0.682) 6.604 1.667 ( 1.918 1.819 -3.004) 4.002 1.687 ( 4.002 7.744 -1.220) 8.802 1.848 ( 0.226 1.413 0.227) 1.449 1.867 ( 1.533 1.197 -1.382) 2.386 2.043 ( -2.084 6.952 3.333) 7.986 2.179 ( -4.697 2.677 -2.396) 5.913 2.209 ( -0.453 12.113 2.661) 12.410 2.270 ( -2.048 6.144 -0.010) 6.476 2.571 ( 5.279 13.001 4.761) 14.818 2.867 ( 7.021 10.197 -9.342) 15.510 3.345 ( -4.025 1.448 5.451) 6.929 3.502 ( -3.012 -1.884 -2.506) 4.348 3.968 ( 3.952 -2.218 2.191) 5.033 4.084 ( 3.328 -4.791 -2.901) 6.515 4.175 ( -1.390 -2.508 2.207) 3.618 4.232 ( -0.212 -3.101 -0.589) 3.164 4.955 ( 0.557 -12.548 2.550) 12.816 5.022 ( 0.155 -5.808 1.749) 6.068 5.104 ( 0.231 -4.507 -3.101) 5.476 5.149 ( 0.054 0.500 -2.610) 2.658 6.513 ( -1.512 13.396 5.492) 14.557 6.740 ( -7.366 11.738 -3.612) 14.321 6.802 ( -8.421 15.721 0.984) 17.862 6.909 ( -6.060 6.011 -2.754) 8.969 7.439 ( 0.606 10.573 2.385) 10.855 7.513 ( -1.596 7.305 -1.036) 7.549 7.773 ( 2.495 3.251 0.200) 4.103 7.818 ( 1.958 5.170 -1.853) 5.831 7.964 ( 6.117 0.499 0.204) 6.141 8.008 ( 5.053 1.825 -1.845) 5.681 8.168 ( -0.078 3.923 1.520) 4.208 8.221 ( -0.588 1.446 -0.666) 1.697 8.718 ( -1.927 0.819 -0.473) 2.147 8.747 ( -1.476 -2.378 -1.651) 3.249 8.763 ( -2.323 -1.695 0.819) 2.990 8.784 ( -2.426 -2.288 -0.138) 3.338 9.263 ( 3.337 -2.911 2.255) 4.970 9.345 ( 3.610 -2.730 -1.628) 4.810 9.555 ( -1.720 -3.940 1.672) 4.613 9.620 ( -0.757 -4.305 -1.284) 4.556 ======================= Grid point 138 (49/105) ======================= q-point: ( 0.38 0.15 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 6.174 5.217 5.575) 9.819 1.254 ( 6.469 8.104 1.293) 10.449 1.281 ( 3.236 3.602 -1.382) 5.035 1.354 ( 1.063 5.663 2.247) 6.185 1.388 ( 1.531 7.493 -0.565) 7.669 1.459 ( 0.968 9.352 1.734) 9.561 1.531 ( 1.540 8.593 -2.943) 9.212 1.600 ( 0.726 4.840 -1.466) 5.109 1.666 ( -0.915 2.353 -0.895) 2.679 1.743 ( 0.128 3.333 -3.457) 4.804 1.823 ( -2.885 1.544 0.248) 3.282 1.866 ( -2.123 0.623 -1.825) 2.868 2.054 ( 3.504 7.029 1.898) 8.080 2.129 ( 0.612 2.552 -1.340) 2.947 2.194 ( -1.377 10.861 1.903) 11.112 2.226 ( -2.431 4.196 0.603) 4.887 2.747 ( 11.270 12.768 5.229) 17.815 3.016 ( 6.290 8.473 -8.144) 13.330 3.251 ( -4.711 2.470 5.117) 7.381 3.408 ( -6.032 0.206 -3.027) 6.752 4.036 ( 2.790 -1.913 2.234) 4.054 4.116 ( -0.783 -2.757 0.343) 2.887 4.176 ( 1.889 -4.253 -0.122) 4.655 4.227 ( -0.331 -3.882 -1.021) 4.027 4.972 ( 1.117 -11.896 2.473) 12.202 5.019 ( -0.594 -8.202 2.094) 8.486 5.108 ( 0.373 -3.177 -3.207) 4.530 5.141 ( -0.753 -0.529 -2.898) 3.041 6.486 ( -0.860 12.823 4.920) 13.762 6.567 ( -6.282 15.562 3.448) 17.132 6.747 ( -0.669 7.663 -3.319) 8.378 6.809 ( -3.779 5.779 -3.997) 7.978 7.452 ( 0.657 12.308 1.417) 12.407 7.485 ( -1.131 10.351 -0.103) 10.413 7.819 ( 1.932 3.008 -0.192) 3.580 7.846 ( 0.757 3.798 -1.385) 4.113 8.077 ( 4.831 0.285 0.289) 4.848 8.100 ( 3.922 1.331 -0.725) 4.205 8.172 ( 0.183 2.686 0.919) 2.845 8.203 ( -1.300 0.530 -0.346) 1.446 8.673 ( -1.907 1.360 0.579) 2.413 8.703 ( -2.843 -0.973 0.312) 3.021 8.719 ( -1.533 -2.801 -1.103) 3.379 8.731 ( -2.300 -2.393 -0.765) 3.406 9.342 ( 4.239 -3.141 1.814) 5.579 9.422 ( 3.372 -3.216 -2.174) 5.142 9.516 ( -1.763 -3.385 2.363) 4.489 9.590 ( -2.242 -3.953 -1.301) 4.727 ======================= Grid point 139 (50/105) ======================= q-point: (-0.50 0.15 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.730 3.986 4.704) 7.771 1.232 ( 4.730 3.986 4.704) 7.771 1.362 ( -3.501 7.189 0.255) 8.000 1.362 ( 3.501 7.189 0.255) 8.000 1.430 ( -3.567 9.648 0.135) 10.287 1.430 ( 3.567 9.648 0.135) 10.287 1.593 ( -3.245 0.104 -3.519) 4.788 1.593 ( 3.245 0.104 -3.519) 4.788 1.686 ( -3.966 6.846 0.278) 7.917 1.686 ( 3.966 6.846 0.278) 7.917 1.812 ( -1.922 1.414 -2.700) 3.603 1.812 ( 1.922 1.414 -2.700) 3.603 2.137 ( -3.271 8.195 1.132) 8.896 2.137 ( 3.271 8.195 1.132) 8.896 2.176 ( -2.128 3.258 0.665) 3.948 2.176 ( 2.128 3.258 0.665) 3.948 2.977 ( -9.777 8.634 2.056) 13.204 2.977 ( 9.777 8.634 2.056) 13.204 3.273 ( -6.471 2.714 -2.705) 7.520 3.273 ( 6.471 2.714 -2.705) 7.520 4.084 ( -1.998 -2.094 2.195) 3.633 4.084 ( 1.998 -2.094 2.195) 3.633 4.212 ( -1.307 -4.416 -1.291) 4.783 4.212 ( 1.307 -4.416 -1.291) 4.783 4.998 ( -1.311 -10.752 2.317) 11.076 4.998 ( 1.311 -10.752 2.317) 11.076 5.122 ( -0.969 -1.389 -3.122) 3.552 5.122 ( 0.969 -1.389 -3.122) 3.552 6.491 ( -1.659 13.316 4.430) 14.131 6.491 ( 1.659 13.316 4.430) 14.131 6.756 ( -1.512 6.332 -3.800) 7.537 6.756 ( 1.512 6.332 -3.800) 7.538 7.466 ( -0.773 12.307 0.625) 12.347 7.466 ( 0.773 12.307 0.625) 12.347 7.847 ( -0.728 3.092 -0.749) 3.264 7.847 ( 0.728 3.092 -0.749) 3.264 8.148 ( -0.978 1.330 -0.316) 1.681 8.148 ( 0.978 1.330 -0.316) 1.681 8.170 ( -0.949 0.606 0.439) 1.209 8.170 ( 0.949 0.606 0.439) 1.209 8.660 ( -0.894 0.450 0.759) 1.257 8.660 ( 0.894 0.450 0.759) 1.257 8.704 ( -0.258 -2.772 -1.127) 3.003 8.704 ( 0.258 -2.772 -1.127) 3.003 9.421 ( -3.158 -3.553 0.712) 4.806 9.421 ( 3.158 -3.553 0.712) 4.806 9.533 ( -3.041 -3.273 -0.426) 4.488 9.533 ( 3.041 -3.273 -0.426) 4.488 ======================= Grid point 144 (51/105) ======================= q-point: ( 0.00 0.23 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 12.724 2.543) 12.976 1.082 ( 0.000 12.842 -1.511) 12.930 1.183 ( 0.000 4.792 -7.885) 9.227 1.238 ( 0.000 8.811 -6.627) 11.025 1.482 ( 0.000 2.066 5.026) 5.434 1.502 ( 0.000 0.906 6.162) 6.228 1.630 ( 0.000 1.903 3.219) 3.739 1.711 ( 0.000 6.185 -3.044) 6.894 1.757 ( 0.000 10.776 0.019) 10.776 1.846 ( 0.000 2.328 -2.552) 3.455 1.892 ( 0.000 5.374 1.672) 5.628 1.933 ( 0.000 12.051 0.476) 12.060 2.313 ( 0.000 1.649 1.898) 2.514 2.344 ( 0.000 5.913 0.082) 5.914 2.421 ( 0.000 4.298 1.171) 4.455 2.444 ( 0.000 10.169 0.899) 10.209 2.764 ( 0.000 13.985 0.848) 14.011 2.908 ( 0.000 8.225 -5.096) 9.676 3.465 ( 0.000 0.556 0.544) 0.778 3.465 ( 0.000 -2.708 0.269) 2.722 3.786 ( 0.000 -2.438 2.007) 3.158 3.871 ( 0.000 -6.489 -1.720) 6.714 4.178 ( 0.000 -1.685 0.590) 1.786 4.196 ( 0.000 -1.657 -0.262) 1.678 4.764 ( 0.000 -4.108 6.817) 7.959 4.947 ( 0.000 0.316 6.312) 6.320 5.107 ( 0.000 3.493 -8.791) 9.459 5.223 ( 0.000 5.432 -5.607) 7.806 6.780 ( 0.000 8.630 3.820) 9.437 6.933 ( 0.000 1.894 -3.927) 4.360 7.126 ( 0.000 -2.149 7.607) 7.905 7.403 ( 0.000 -3.129 -5.427) 6.264 7.677 ( 0.000 13.409 1.170) 13.460 7.756 ( 0.000 2.927 -2.045) 3.570 7.757 ( 0.000 4.882 2.198) 5.354 7.808 ( 0.000 7.074 2.959) 7.668 7.947 ( 0.000 10.153 -7.336) 12.527 7.958 ( 0.000 10.670 -3.898) 11.360 8.300 ( 0.000 4.438 1.589) 4.714 8.336 ( 0.000 7.905 -0.109) 7.906 8.706 ( 0.000 -3.915 1.022) 4.046 8.725 ( 0.000 -0.348 -0.165) 0.385 8.768 ( 0.000 1.467 0.976) 1.762 8.799 ( 0.000 -0.375 -0.439) 0.578 9.148 ( 0.000 -2.670 1.492) 3.059 9.205 ( 0.000 -3.735 -1.073) 3.886 9.522 ( 0.000 -4.318 -0.034) 4.318 9.523 ( 0.000 -4.255 -0.095) 4.256 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.12 0.23 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.452 9.859 1.724) 10.587 1.115 ( 2.677 11.144 -0.932) 11.499 1.203 ( 1.776 6.490 -5.877) 8.934 1.274 ( 4.083 6.355 -6.616) 10.041 1.472 ( -0.570 1.768 4.898) 5.238 1.511 ( 0.513 1.216 5.524) 5.679 1.649 ( 1.989 1.774 2.123) 3.408 1.708 ( -0.546 5.553 -3.357) 6.511 1.769 ( 0.850 9.904 -0.494) 9.953 1.826 ( -1.503 3.626 -1.954) 4.385 1.895 ( 0.454 5.451 2.817) 6.153 1.959 ( 1.681 9.714 0.249) 9.862 2.228 ( -5.560 3.743 2.403) 7.120 2.323 ( -3.776 2.625 -1.753) 4.922 2.408 ( -1.561 4.017 1.348) 4.515 2.438 ( -0.681 9.469 0.210) 9.495 2.789 ( 3.026 16.118 2.244) 16.552 2.950 ( 3.782 8.146 -4.755) 10.162 3.431 ( -1.818 0.774 1.651) 2.575 3.484 ( 0.281 -1.741 -0.755) 1.918 3.834 ( 4.184 -2.216 1.550) 4.982 3.902 ( 2.890 -6.343 -1.430) 7.115 4.164 ( -1.248 -1.595 0.763) 2.164 4.189 ( -0.650 -1.845 -0.390) 1.995 4.762 ( -0.132 -4.508 6.867) 8.215 4.937 ( -0.991 -0.770 6.070) 6.198 5.109 ( 0.162 3.486 -8.496) 9.185 5.218 ( -0.511 4.978 -5.752) 7.624 6.765 ( -1.475 8.365 3.587) 9.220 6.908 ( -2.308 2.000 -3.628) 4.742 7.075 ( -4.695 -1.028 6.017) 7.701 7.277 ( -11.386 1.048 -3.595) 11.986 7.658 ( -0.979 11.574 1.066) 11.664 7.685 ( -1.499 7.236 -0.217) 7.392 7.816 ( 2.672 3.363 -0.325) 4.308 7.884 ( 5.280 5.988 2.817) 8.466 7.926 ( 0.247 7.711 -4.761) 9.066 8.030 ( 3.813 9.737 -4.137) 11.246 8.282 ( -1.492 3.787 1.248) 4.258 8.310 ( -2.288 6.577 -0.044) 6.963 8.701 ( -0.100 -2.683 0.907) 2.834 8.736 ( 0.274 -0.465 -0.707) 0.890 8.783 ( -0.031 0.165 0.440) 0.471 8.789 ( -0.277 0.640 0.093) 0.703 9.160 ( 1.353 -2.646 1.607) 3.378 9.226 ( 2.108 -3.416 -1.367) 4.240 9.502 ( -1.108 -3.965 0.734) 4.182 9.533 ( 0.269 -4.451 -0.646) 4.506 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 2.244 7.681 0.318) 8.008 1.203 ( 6.120 3.999 0.106) 7.311 1.280 ( 5.438 6.440 -2.458) 8.779 1.381 ( 5.632 4.712 -4.927) 8.843 1.458 ( -0.793 1.121 3.877) 4.113 1.528 ( 1.570 2.490 3.944) 4.921 1.677 ( -2.696 2.711 -2.643) 4.647 1.695 ( 1.012 0.649 -3.151) 3.372 1.777 ( 0.720 7.449 0.401) 7.494 1.818 ( 0.984 8.110 -1.060) 8.238 1.905 ( 0.103 4.384 4.297) 6.139 1.964 ( -1.717 4.939 1.551) 5.455 2.149 ( -1.179 5.672 0.481) 5.813 2.216 ( -5.507 1.701 -2.002) 6.102 2.356 ( -3.467 2.835 1.671) 4.780 2.411 ( -2.121 7.400 -0.758) 7.736 2.891 ( 6.715 17.512 3.149) 19.018 3.051 ( 6.042 7.887 -4.181) 10.779 3.392 ( -2.210 3.324 2.338) 4.626 3.472 ( -1.535 -0.914 -1.339) 2.232 3.926 ( 4.319 -2.044 1.182) 4.923 3.978 ( 4.264 -5.529 -1.143) 7.075 4.132 ( -1.780 -1.585 1.225) 2.680 4.173 ( -0.933 -2.370 -0.666) 2.632 4.761 ( 0.183 -5.512 6.791) 8.748 4.906 ( -2.102 -3.243 5.574) 6.782 5.114 ( 0.406 3.388 -7.774) 8.490 5.202 ( -1.080 3.967 -6.079) 7.339 6.723 ( -2.530 7.569 3.031) 8.537 6.847 ( -3.731 2.171 -3.134) 5.334 6.961 ( -6.039 0.550 3.141) 6.829 7.029 ( -10.844 5.817 -0.417) 12.313 7.661 ( 1.178 9.421 1.019) 9.549 7.684 ( 0.916 8.692 0.232) 8.744 7.875 ( 2.834 5.111 -1.624) 6.066 7.941 ( 0.845 6.329 -3.762) 7.411 7.990 ( 5.117 4.080 3.013) 7.205 8.100 ( 3.147 7.212 -2.424) 8.233 8.251 ( -1.481 1.993 0.596) 2.554 8.259 ( -2.381 4.391 0.249) 5.002 8.693 ( -0.941 -1.965 0.577) 2.254 8.722 ( -1.568 0.045 -0.759) 1.743 8.751 ( -2.123 -0.318 0.842) 2.306 8.779 ( -1.586 2.396 -0.631) 2.942 9.207 ( 3.204 -2.618 1.750) 4.492 9.287 ( 3.617 -2.988 -1.969) 5.088 9.478 ( -1.349 -3.610 1.576) 4.164 9.531 ( -0.571 -4.433 -0.926) 4.564 ======================= Grid point 147 (54/105) ======================= q-point: ( 0.38 0.23 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 3.921 4.593 2.154) 6.412 1.307 ( 2.877 0.446 -0.905) 3.049 1.387 ( 4.431 4.980 0.110) 6.667 1.444 ( 1.160 3.255 3.179) 4.695 1.492 ( 3.935 2.765 -4.098) 6.319 1.563 ( 0.756 2.429 1.174) 2.802 1.613 ( -2.633 0.612 -1.046) 2.899 1.656 ( -3.655 0.878 -5.210) 6.424 1.822 ( 2.185 7.913 0.236) 8.213 1.842 ( 0.895 7.583 0.039) 7.636 1.883 ( -1.256 3.894 2.639) 4.869 1.929 ( -1.419 4.520 1.476) 4.962 2.138 ( -0.242 2.067 0.485) 2.137 2.185 ( 2.819 3.657 -1.309) 4.800 2.273 ( -4.525 0.972 2.039) 5.057 2.350 ( -3.830 4.432 -1.356) 6.013 3.044 ( 7.983 15.951 2.891) 18.070 3.181 ( 6.239 7.340 -3.653) 10.303 3.332 ( -3.701 6.040 2.708) 7.583 3.421 ( -3.488 1.067 -1.564) 3.969 3.999 ( 2.940 -2.085 1.466) 3.891 4.056 ( 2.756 -3.375 -1.178) 4.514 4.098 ( -1.146 -2.716 1.645) 3.376 4.152 ( -1.183 -3.177 -0.893) 3.506 4.773 ( 1.074 -6.505 6.331) 9.140 4.856 ( -2.643 -5.549 5.360) 8.155 5.127 ( 0.822 3.073 -7.077) 7.759 5.176 ( -1.416 3.095 -6.395) 7.244 6.674 ( -1.864 6.238 2.264) 6.893 6.748 ( -5.605 3.936 -1.030) 6.926 6.859 ( -2.657 3.182 1.376) 4.368 6.892 ( -3.760 3.487 -0.097) 5.129 7.694 ( 1.742 9.617 1.130) 9.839 7.708 ( 1.128 10.223 0.800) 10.316 7.920 ( 1.569 6.086 -2.440) 6.742 7.950 ( -0.033 6.218 -2.908) 6.865 8.087 ( 4.359 1.674 2.214) 5.168 8.157 ( 2.321 4.112 -1.337) 4.908 8.214 ( -1.783 0.868 0.912) 2.183 8.229 ( -1.108 2.348 -0.045) 2.597 8.667 ( -1.322 -1.433 0.569) 2.031 8.683 ( -2.024 -0.396 0.497) 2.121 8.712 ( -1.397 1.840 -0.338) 2.335 8.735 ( -2.300 3.561 -0.939) 4.342 9.282 ( 3.916 -2.804 1.462) 5.033 9.357 ( 2.605 -3.183 -2.402) 4.763 9.450 ( -1.078 -3.175 2.261) 4.044 9.508 ( -1.701 -4.093 -0.857) 4.514 ======================= Grid point 148 (55/105) ======================= q-point: (-0.50 0.23 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -2.990 2.260 1.846) 4.178 1.298 ( 2.990 2.260 1.846) 4.178 1.454 ( -1.903 2.912 0.743) 3.557 1.454 ( 1.903 2.912 0.743) 3.557 1.547 ( -2.072 2.438 -0.192) 3.205 1.547 ( 2.072 2.438 -0.192) 3.205 1.598 ( -1.485 0.334 -4.607) 4.852 1.598 ( 1.485 0.334 -4.607) 4.852 1.843 ( -0.331 7.065 1.902) 7.324 1.843 ( 0.331 7.065 1.902) 7.324 1.895 ( -1.680 6.485 -0.416) 6.712 1.895 ( 1.680 6.485 -0.416) 6.712 2.183 ( -3.952 -0.179 1.969) 4.419 2.183 ( 3.952 -0.179 1.969) 4.419 2.264 ( -4.441 2.969 -1.475) 5.542 2.264 ( 4.441 2.969 -1.475) 5.542 3.194 ( -6.123 12.452 1.540) 13.961 3.194 ( 6.123 12.452 1.540) 13.961 3.333 ( -4.776 3.114 -1.314) 5.851 3.333 ( 4.776 3.114 -1.314) 5.851 4.048 ( -1.958 -1.572 1.458) 2.904 4.048 ( 1.958 -1.572 1.458) 2.904 4.121 ( -1.882 -4.122 -0.808) 4.603 4.121 ( 1.882 -4.122 -0.808) 4.603 4.806 ( -2.147 -6.686 5.693) 9.040 4.806 ( 2.147 -6.686 5.693) 9.040 5.148 ( -1.272 2.821 -6.664) 7.347 5.148 ( 1.272 2.821 -6.664) 7.347 6.669 ( -1.720 5.166 1.204) 5.576 6.669 ( 1.720 5.166 1.204) 5.576 6.846 ( -0.930 3.060 0.019) 3.198 6.846 ( 0.930 3.060 0.019) 3.198 7.718 ( -0.393 10.638 1.095) 10.702 7.718 ( 0.393 10.638 1.095) 10.702 7.941 ( -0.690 6.043 -2.645) 6.633 7.941 ( 0.690 6.043 -2.645) 6.633 8.160 ( -2.572 0.360 1.008) 2.785 8.160 ( 2.572 0.360 1.008) 2.785 8.205 ( -1.219 2.309 -0.131) 2.614 8.205 ( 1.219 2.309 -0.131) 2.614 8.655 ( -0.437 -0.882 0.766) 1.247 8.655 ( 0.437 -0.882 0.766) 1.247 8.703 ( -0.638 3.567 -0.902) 3.734 8.703 ( 0.638 3.567 -0.902) 3.734 9.353 ( -2.685 -3.203 0.205) 4.185 9.353 ( 2.685 -3.203 0.205) 4.185 9.465 ( -2.246 -3.391 0.022) 4.067 9.465 ( 2.246 -3.391 0.022) 4.067 ======================= Grid point 153 (56/105) ======================= q-point: ( 0.00 0.31 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 6.166 0.125) 6.167 1.271 ( 0.000 6.061 -1.694) 6.293 1.326 ( 0.000 8.942 -1.207) 9.023 1.398 ( 0.000 7.280 -3.684) 8.159 1.474 ( 0.000 -2.160 3.313) 3.955 1.502 ( 0.000 -0.009 5.126) 5.126 1.663 ( 0.000 1.802 5.432) 5.724 1.799 ( 0.000 2.466 -2.498) 3.510 1.851 ( 0.000 -0.564 -1.304) 1.421 1.926 ( 0.000 5.994 -2.863) 6.643 1.994 ( 0.000 3.191 4.308) 5.361 2.104 ( 0.000 4.897 -1.340) 5.077 2.370 ( 0.000 3.657 0.996) 3.790 2.424 ( 0.000 2.979 -1.312) 3.255 2.499 ( 0.000 3.999 2.375) 4.651 2.602 ( 0.000 5.596 -2.210) 6.017 3.033 ( 0.000 5.047 -0.013) 5.047 3.064 ( 0.000 14.769 -1.632) 14.859 3.433 ( 0.000 0.022 1.658) 1.658 3.482 ( 0.000 1.134 -0.650) 1.307 3.740 ( 0.000 -6.562 0.152) 6.564 3.754 ( 0.000 -0.756 -0.467) 0.889 4.160 ( 0.000 0.058 0.682) 0.684 4.183 ( 0.000 0.336 -0.352) 0.486 4.786 ( 0.000 5.853 8.387) 10.228 5.023 ( 0.000 6.805 7.042) 9.793 5.208 ( 0.000 6.001 -10.802) 12.357 5.333 ( 0.000 5.249 -6.252) 8.163 6.893 ( 0.000 3.230 1.897) 3.745 6.945 ( 0.000 0.334 -1.417) 1.456 7.092 ( 0.000 -0.892 7.155) 7.211 7.355 ( 0.000 -1.749 -5.350) 5.629 7.794 ( 0.000 1.493 -0.155) 1.501 7.805 ( 0.000 2.848 -0.513) 2.894 7.933 ( 0.000 8.787 2.338) 9.092 7.956 ( 0.000 7.323 3.699) 8.204 8.138 ( 0.000 8.334 -7.120) 10.962 8.151 ( 0.000 8.551 -5.124) 9.968 8.395 ( 0.000 5.074 3.856) 6.373 8.473 ( 0.000 4.648 1.043) 4.763 8.667 ( 0.000 1.039 1.520) 1.841 8.743 ( 0.000 2.106 -1.557) 2.619 8.802 ( 0.000 0.662 0.354) 0.751 8.806 ( 0.000 2.191 0.208) 2.200 9.095 ( 0.000 -2.733 0.612) 2.800 9.123 ( 0.000 -4.521 -0.648) 4.568 9.446 ( 0.000 -3.147 0.123) 3.150 9.449 ( 0.000 -3.062 -0.018) 3.062 ======================= Grid point 154 (57/105) ======================= q-point: ( 0.12 0.31 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.290 5.773 0.319) 5.789 1.279 ( 0.506 5.447 -1.493) 5.671 1.340 ( 1.350 7.222 -1.523) 7.503 1.409 ( 1.662 6.518 -3.511) 7.587 1.466 ( -0.618 -1.912 3.662) 4.178 1.521 ( 1.662 0.413 4.145) 4.485 1.666 ( 0.326 0.801 4.106) 4.196 1.779 ( -2.373 1.719 -2.487) 3.843 1.847 ( 0.131 0.183 -0.362) 0.426 1.936 ( 0.784 5.611 -2.193) 6.075 1.995 ( 0.206 3.231 4.024) 5.165 2.092 ( -1.686 3.697 -0.573) 4.103 2.310 ( -4.293 4.214 0.638) 6.050 2.372 ( -4.846 2.340 -1.933) 5.718 2.478 ( -2.286 3.564 2.375) 4.855 2.578 ( -2.519 4.501 -2.187) 5.602 3.077 ( 3.870 5.362 0.298) 6.620 3.111 ( 4.396 15.173 -1.355) 15.855 3.446 ( 1.241 1.272 1.186) 2.137 3.480 ( -0.219 1.171 -0.407) 1.259 3.773 ( 2.976 -6.364 0.575) 7.049 3.806 ( 4.642 -0.774 -0.902) 4.791 4.147 ( -1.257 0.020 0.843) 1.513 4.175 ( -0.743 0.407 -0.444) 0.957 4.775 ( -0.992 5.416 8.342) 9.995 4.994 ( -2.794 6.024 6.511) 9.300 5.207 ( -0.056 5.787 -10.123) 11.661 5.321 ( -1.235 4.914 -6.392) 8.156 6.874 ( -1.823 3.100 1.778) 4.012 6.924 ( -2.000 0.504 -1.309) 2.443 7.055 ( -3.532 -0.485 6.278) 7.219 7.273 ( -7.562 -0.605 -4.093) 8.620 7.787 ( 0.173 3.290 0.669) 3.362 7.834 ( 0.502 4.289 -1.245) 4.494 7.866 ( -0.912 4.990 2.651) 5.724 8.028 ( 2.517 5.880 0.090) 6.396 8.094 ( -0.367 8.900 -3.646) 9.625 8.203 ( 1.946 6.346 -4.742) 8.158 8.357 ( -3.062 4.184 3.374) 6.186 8.434 ( -3.661 4.914 -0.001) 6.128 8.678 ( 0.981 1.113 2.213) 2.665 8.757 ( 0.507 2.234 -1.437) 2.704 8.790 ( -0.871 1.197 1.028) 1.802 8.824 ( 1.312 2.163 -0.523) 2.583 9.110 ( 1.618 -2.449 0.840) 3.053 9.155 ( 2.923 -3.777 -1.174) 4.918 9.435 ( -0.771 -2.810 0.615) 2.978 9.455 ( 0.116 -3.358 -0.313) 3.375 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.25 0.31 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.429 2.991 0.009) 3.315 1.282 ( 0.162 4.596 -0.787) 4.666 1.387 ( 3.313 4.394 -0.780) 5.558 1.456 ( -0.005 -1.118 2.764) 2.982 1.470 ( 3.584 3.738 -2.646) 5.816 1.558 ( 1.859 1.049 1.815) 2.802 1.670 ( -0.500 -1.293 0.044) 1.387 1.708 ( -4.130 0.421 -1.007) 4.272 1.868 ( 2.091 1.802 1.729) 3.257 1.949 ( 0.329 3.605 0.756) 3.698 1.996 ( -1.340 4.172 1.728) 4.711 2.029 ( -2.498 2.611 1.447) 3.892 2.241 ( -3.845 2.103 -0.962) 4.487 2.268 ( -2.974 3.918 -1.900) 5.273 2.404 ( -4.928 2.475 2.095) 5.899 2.498 ( -5.222 1.808 -2.198) 5.947 3.173 ( 5.380 6.047 1.021) 8.158 3.226 ( 6.484 14.516 -1.419) 15.961 3.470 ( -0.425 2.841 0.243) 2.883 3.476 ( 0.956 2.807 0.109) 2.968 3.848 ( 4.073 -5.741 1.466) 7.190 3.916 ( 5.572 -0.717 -1.569) 5.833 4.112 ( -2.112 -0.255 1.305) 2.496 4.156 ( -1.174 0.581 -0.694) 1.482 4.751 ( -1.179 4.223 8.074) 9.187 4.918 ( -4.412 4.288 5.931) 8.546 5.204 ( -0.215 5.023 -9.055) 10.358 5.286 ( -2.029 4.109 -6.746) 8.156 6.820 ( -3.347 2.694 1.657) 4.605 6.870 ( -3.202 0.980 -1.096) 3.523 6.965 ( -4.690 0.289 4.213) 6.311 7.090 ( -9.178 1.438 -1.740) 9.452 7.802 ( 0.929 4.990 1.235) 5.223 7.819 ( 0.502 5.471 2.105) 5.884 7.920 ( 3.766 0.660 -1.890) 4.265 8.044 ( 0.202 4.486 -5.609) 7.185 8.129 ( 2.277 6.279 2.045) 6.985 8.225 ( 0.414 3.073 -2.724) 4.127 8.291 ( -3.254 3.213 2.021) 4.999 8.344 ( -4.689 3.675 -0.330) 5.967 8.691 ( -0.019 2.012 2.146) 2.942 8.742 ( -1.683 2.024 0.872) 2.773 8.781 ( 0.021 3.319 -0.087) 3.320 8.841 ( 0.085 3.415 -1.546) 3.750 9.161 ( 3.318 -1.973 1.193) 4.040 9.229 ( 4.000 -2.836 -1.983) 5.289 9.416 ( -1.074 -2.587 1.288) 3.083 9.451 ( -0.520 -3.524 -0.438) 3.589 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.38 0.31 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 1.425 2.447 0.316) 2.850 1.308 ( 1.429 0.094 0.188) 1.444 1.453 ( 2.659 1.314 -0.694) 3.046 1.470 ( 1.202 -0.132 1.816) 2.182 1.532 ( 2.300 1.307 -2.480) 3.626 1.590 ( 0.679 0.917 0.404) 1.210 1.624 ( -2.498 0.814 -1.559) 3.055 1.640 ( -2.969 -1.488 -1.557) 3.668 1.912 ( 1.084 1.569 3.945) 4.382 1.949 ( -0.472 2.273 3.435) 4.146 1.968 ( 2.054 3.700 0.368) 4.248 2.028 ( 0.213 5.416 -0.045) 5.420 2.162 ( -2.396 0.753 0.480) 2.557 2.255 ( 0.118 2.497 -2.529) 3.556 2.289 ( -5.874 1.074 1.634) 6.191 2.381 ( -5.853 -0.698 -2.419) 6.372 3.285 ( 5.431 5.387 1.492) 7.793 3.354 ( 5.716 12.815 -1.619) 14.125 3.445 ( -2.052 2.698 0.933) 3.515 3.485 ( -0.522 7.146 -0.845) 7.215 3.928 ( 3.754 -4.633 2.167) 6.344 4.014 ( 3.762 -0.914 -1.792) 4.266 4.065 ( -2.322 -0.617 1.903) 3.065 4.128 ( -1.592 0.696 -1.066) 2.038 4.737 ( 0.026 2.785 7.413) 7.919 4.828 ( -4.211 2.649 5.969) 7.770 5.202 ( 0.110 3.959 -8.224) 9.128 5.245 ( -1.951 3.356 -7.172) 8.155 6.753 ( -2.690 2.396 1.606) 3.944 6.793 ( -4.184 1.700 -0.162) 4.519 6.894 ( -1.931 0.926 1.929) 2.882 6.945 ( -4.793 1.736 -0.330) 5.109 7.827 ( 1.665 4.856 2.341) 5.642 7.847 ( 1.437 4.257 1.937) 4.893 7.994 ( 3.280 1.000 -3.841) 5.149 8.048 ( 0.069 3.590 -5.455) 6.531 8.163 ( 1.016 3.657 2.194) 4.384 8.226 ( -2.793 1.085 1.584) 3.389 8.228 ( -0.374 1.499 -1.585) 2.213 8.262 ( -2.954 1.242 -0.218) 3.211 8.682 ( -0.514 3.095 2.198) 3.831 8.705 ( -1.704 2.955 2.195) 4.056 8.788 ( 0.676 5.331 -1.148) 5.495 8.829 ( -1.003 5.321 -1.972) 5.763 9.235 ( 3.681 -1.905 1.022) 4.269 9.299 ( 2.415 -2.561 -2.404) 4.263 9.393 ( -0.908 -2.525 1.968) 3.328 9.433 ( -1.272 -3.421 -0.344) 3.666 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.31 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.537 0.172 0.827) 1.001 1.319 ( 0.537 0.172 0.827) 1.001 1.482 ( -0.247 -0.397 -0.377) 0.601 1.482 ( 0.247 -0.397 -0.377) 0.601 1.569 ( -1.797 0.431 -0.221) 1.861 1.569 ( 1.797 0.431 -0.221) 1.861 1.607 ( -0.247 0.822 -2.459) 2.605 1.607 ( 0.247 0.822 -2.459) 2.605 1.937 ( -1.193 2.237 4.203) 4.909 1.937 ( 1.193 2.237 4.203) 4.909 2.015 ( -1.522 4.957 -0.170) 5.188 2.015 ( 1.522 4.957 -0.170) 5.188 2.176 ( -3.857 -0.276 1.339) 4.092 2.176 ( 3.857 -0.276 1.339) 4.092 2.288 ( -2.920 -0.119 -2.659) 3.951 2.288 ( 2.920 -0.119 -2.659) 3.951 3.383 ( -4.021 3.758 1.409) 5.681 3.383 ( 4.021 3.758 1.409) 5.681 3.447 ( -3.301 10.497 -1.431) 11.097 3.447 ( 3.301 10.497 -1.431) 11.097 3.998 ( -3.156 -3.197 2.126) 4.970 3.998 ( 3.156 -3.197 2.126) 4.970 4.088 ( -2.471 0.613 -1.342) 2.878 4.088 ( 2.471 0.613 -1.342) 2.878 4.760 ( -2.300 2.044 6.556) 7.243 4.760 ( 2.300 2.044 6.556) 7.243 5.213 ( -1.056 3.250 -7.625) 8.356 5.213 ( 1.056 3.250 -7.625) 8.356 6.734 ( -1.076 2.243 1.076) 2.710 6.734 ( 1.076 2.243 1.076) 2.710 6.887 ( -1.216 1.246 0.425) 1.792 6.887 ( 1.216 1.246 0.425) 1.792 7.856 ( -0.772 4.268 2.365) 4.940 7.856 ( 0.772 4.268 2.365) 4.940 8.040 ( -1.149 2.676 -5.323) 6.068 8.040 ( 1.149 2.676 -5.323) 6.068 8.179 ( -1.205 1.651 2.003) 2.862 8.179 ( 1.205 1.652 2.003) 2.862 8.230 ( -0.518 -0.163 -0.548) 0.771 8.230 ( 0.518 -0.163 -0.548) 0.771 8.681 ( -0.554 3.549 2.395) 4.317 8.681 ( 0.554 3.549 2.395) 4.317 8.807 ( -1.087 6.206 -1.759) 6.541 8.807 ( 1.087 6.206 -1.759) 6.541 9.299 ( -2.276 -2.189 -0.279) 3.170 9.299 ( 2.276 -2.189 -0.279) 3.170 9.402 ( -1.575 -2.991 0.427) 3.407 9.402 ( 1.575 -2.991 0.427) 3.407 ======================= Grid point 162 (61/105) ======================= q-point: ( 0.00 0.38 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 0.670 -0.761) 1.014 1.333 ( 0.000 2.226 0.421) 2.266 1.427 ( 0.000 -0.923 3.441) 3.562 1.466 ( 0.000 3.466 0.455) 3.495 1.524 ( 0.000 3.277 0.665) 3.344 1.529 ( 0.000 5.184 -2.608) 5.803 1.695 ( 0.000 1.209 4.895) 5.042 1.804 ( 0.000 -2.025 0.374) 2.059 1.851 ( 0.000 1.206 -2.833) 3.079 1.990 ( 0.000 0.501 -4.979) 5.004 2.028 ( 0.000 1.013 4.365) 4.481 2.142 ( 0.000 -0.450 -1.480) 1.546 2.435 ( 0.000 2.528 0.355) 2.553 2.467 ( 0.000 1.318 -1.104) 1.720 2.583 ( 0.000 4.268 2.416) 4.904 2.670 ( 0.000 1.703 -1.623) 2.352 3.138 ( 0.000 5.986 3.147) 6.763 3.308 ( 0.000 8.715 -5.470) 10.290 3.481 ( 0.000 5.065 2.431) 5.619 3.502 ( 0.000 0.668 0.154) 0.685 3.613 ( 0.000 -6.199 2.850) 6.823 3.747 ( 0.000 -0.509 -2.822) 2.867 4.177 ( 0.000 1.392 0.714) 1.565 4.200 ( 0.000 1.056 -0.362) 1.117 4.963 ( 0.000 11.030 6.863) 12.990 5.187 ( 0.000 8.941 5.262) 10.375 5.312 ( 0.000 3.589 -9.334) 10.000 5.414 ( 0.000 2.612 -4.117) 4.876 6.932 ( 0.000 1.216 1.491) 1.924 6.961 ( 0.000 0.922 -0.469) 1.034 7.099 ( 0.000 1.904 6.128) 6.417 7.321 ( 0.000 -2.051 -4.123) 4.605 7.822 ( 0.000 1.377 0.023) 1.377 7.846 ( 0.000 1.307 -0.844) 1.556 8.043 ( 0.000 2.804 0.595) 2.866 8.065 ( 0.000 2.987 0.958) 3.137 8.276 ( 0.000 6.006 -5.404) 8.079 8.298 ( 0.000 6.157 -4.334) 7.529 8.492 ( 0.000 4.391 4.424) 6.234 8.528 ( 0.000 2.098 4.467) 4.935 8.732 ( 0.000 3.947 -0.661) 4.002 8.794 ( 0.000 2.640 -2.793) 3.843 8.823 ( 0.000 1.293 0.940) 1.598 8.849 ( 0.000 1.994 0.030) 1.994 9.029 ( 0.000 -4.766 0.374) 4.780 9.040 ( 0.000 -2.773 -0.119) 2.776 9.399 ( 0.000 -1.618 0.285) 1.643 9.403 ( 0.000 -1.640 0.096) 1.643 ======================= Grid point 163 (62/105) ======================= q-point: ( 0.12 0.38 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.194 1.744 0.075) 1.756 1.347 ( 0.511 1.564 -0.823) 1.840 1.419 ( -0.528 -0.691 2.476) 2.624 1.463 ( -0.451 2.808 0.320) 2.861 1.510 ( -0.313 3.935 -0.700) 4.009 1.548 ( 1.360 2.757 -0.495) 3.114 1.683 ( -1.159 0.762 4.224) 4.446 1.794 ( -2.235 -0.671 -0.448) 2.376 1.839 ( 0.284 0.170 -0.912) 0.970 1.996 ( 0.104 0.957 -1.726) 1.976 2.027 ( 0.332 0.133 1.185) 1.238 2.121 ( -2.287 -0.430 -1.111) 2.578 2.375 ( -4.741 2.286 0.186) 5.267 2.407 ( -5.177 1.034 -1.348) 5.449 2.552 ( -3.157 3.708 2.238) 5.360 2.629 ( -4.060 1.208 -1.399) 4.461 3.186 ( 4.246 6.113 3.177) 8.093 3.356 ( 4.270 8.386 -5.460) 10.880 3.505 ( 0.362 1.254 0.556) 1.418 3.509 ( 2.398 5.197 1.425) 5.898 3.649 ( 3.466 -5.826 3.605) 7.678 3.798 ( 4.626 -0.582 -3.011) 5.550 4.164 ( -1.266 1.464 0.889) 2.130 4.194 ( -0.627 1.071 -0.474) 1.328 4.946 ( -1.661 10.793 6.800) 12.864 5.149 ( -3.596 8.812 4.628) 10.583 5.305 ( -0.746 3.162 -8.450) 9.053 5.396 ( -1.770 2.364 -4.333) 5.244 6.910 ( -2.070 1.104 1.429) 2.747 6.941 ( -1.848 0.890 -0.465) 2.104 7.065 ( -3.214 1.850 5.517) 6.648 7.256 ( -6.119 -1.418 -3.266) 7.080 7.833 ( 1.088 1.729 0.354) 2.074 7.867 ( 2.031 0.861 -1.251) 2.536 7.982 ( -3.509 4.634 2.017) 6.153 8.092 ( 0.577 0.722 -1.825) 2.046 8.249 ( -1.727 6.403 -3.097) 7.319 8.284 ( -1.655 3.084 -3.571) 5.000 8.438 ( -3.882 3.302 3.527) 6.198 8.500 ( -3.886 1.988 1.267) 4.545 8.736 ( 1.135 3.926 1.364) 4.308 8.807 ( 0.110 2.491 -0.777) 2.611 8.831 ( 1.090 2.547 0.092) 2.772 8.865 ( 1.522 1.767 -0.355) 2.359 9.064 ( 2.402 -2.103 0.201) 3.199 9.080 ( 4.290 -3.671 -0.529) 5.671 9.392 ( -0.593 -1.491 0.491) 1.678 9.403 ( -0.174 -1.905 -0.010) 1.913 ======================= Grid point 164 (63/105) ======================= q-point: ( 0.25 0.38 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.786 1.796 0.374) 1.996 1.347 ( -0.463 2.180 -1.379) 2.621 1.419 ( 0.631 -1.550 1.075) 1.989 1.453 ( -0.123 1.051 -0.230) 1.083 1.521 ( 1.201 1.988 -0.472) 2.370 1.580 ( 1.558 1.074 -0.093) 1.895 1.651 ( -1.876 -0.434 2.444) 3.111 1.719 ( -4.157 0.576 -0.947) 4.302 1.873 ( 2.567 -0.321 2.103) 3.334 1.981 ( -1.199 0.812 2.962) 3.297 2.046 ( -2.163 0.814 -1.048) 2.538 2.060 ( 0.370 -0.437 -2.380) 2.448 2.272 ( -5.502 1.159 -0.155) 5.625 2.312 ( -3.017 0.544 -1.771) 3.540 2.455 ( -6.359 2.384 1.661) 6.991 2.511 ( -7.312 0.159 -1.090) 7.394 3.286 ( 5.221 6.024 3.295) 8.626 3.452 ( 4.412 6.428 -4.695) 9.101 3.516 ( 0.789 2.672 0.858) 2.915 3.563 ( 2.629 4.887 -0.431) 5.566 3.744 ( 5.541 -3.688 4.567) 8.073 3.909 ( 5.759 -0.461 -3.266) 6.637 4.127 ( -2.342 1.591 1.485) 3.197 4.177 ( -1.024 1.084 -0.818) 1.702 4.903 ( -2.360 10.106 6.545) 12.269 5.053 ( -5.483 8.554 4.243) 11.011 5.282 ( -1.424 1.996 -7.334) 7.733 5.347 ( -2.868 1.645 -4.869) 5.885 6.853 ( -3.374 1.113 1.479) 3.849 6.893 ( -2.719 0.956 -0.643) 2.953 6.980 ( -4.800 1.408 4.130) 6.487 7.102 ( -8.115 -0.235 -1.593) 8.273 7.865 ( 1.897 2.114 0.734) 2.934 7.918 ( 1.516 2.148 -0.844) 2.761 7.931 ( 0.045 2.612 1.733) 3.135 8.091 ( -0.344 -0.191 -4.014) 4.034 8.217 ( -1.456 3.395 -1.040) 3.838 8.245 ( -1.814 0.829 -1.761) 2.661 8.350 ( -4.691 1.733 1.510) 5.223 8.393 ( -5.916 0.929 -0.172) 5.991 8.761 ( 0.895 4.514 2.069) 5.046 8.801 ( -0.523 3.619 1.147) 3.832 8.857 ( 1.448 3.555 -0.397) 3.859 8.899 ( 1.447 2.060 -1.175) 2.778 9.130 ( 3.833 -1.140 0.695) 4.059 9.175 ( 4.696 -2.499 -1.439) 5.511 9.376 ( -1.060 -1.506 0.852) 2.029 9.394 ( -0.702 -2.223 -0.067) 2.332 ======================= Grid point 165 (64/105) ======================= q-point: ( 0.38 0.38 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.122 0.605 0.506) 0.798 1.334 ( -0.654 1.411 -0.853) 1.774 1.436 ( 0.707 -2.078 -0.581) 2.270 1.455 ( -0.081 -1.889 -0.729) 2.027 1.547 ( 1.197 0.625 -0.237) 1.371 1.601 ( -0.270 0.006 1.351) 1.377 1.613 ( -0.932 -0.448 0.321) 1.083 1.652 ( -2.051 1.111 -1.344) 2.692 1.924 ( 2.008 0.335 3.688) 4.212 1.962 ( -0.399 0.465 3.205) 3.263 2.019 ( 1.749 1.157 0.045) 2.098 2.094 ( 1.176 0.561 -2.768) 3.060 2.178 ( -3.255 1.050 0.782) 3.508 2.269 ( -2.155 -0.824 -2.846) 3.664 2.311 ( -6.922 0.772 1.037) 7.042 2.356 ( -7.072 -1.030 -1.223) 7.250 3.385 ( 4.345 5.267 3.257) 7.565 3.490 ( -0.514 3.135 1.250) 3.414 3.560 ( 3.064 5.116 -3.369) 6.849 3.604 ( 1.145 4.117 -1.957) 4.700 3.860 ( 5.737 -0.799 4.232) 7.174 4.009 ( 2.998 0.311 -2.834) 4.137 4.075 ( -1.947 1.298 2.151) 3.179 4.151 ( -1.643 0.966 -1.332) 2.325 4.864 ( -1.095 9.166 5.992) 11.005 4.944 ( -4.895 8.316 4.543) 10.666 5.256 ( -0.927 0.764 -6.544) 6.654 5.290 ( -2.553 0.722 -5.451) 6.062 6.790 ( -2.318 1.668 1.635) 3.290 6.831 ( -3.506 2.054 -0.113) 4.065 6.900 ( -2.242 -0.156 2.244) 3.176 6.962 ( -5.194 -0.020 -0.462) 5.215 7.902 ( 1.590 2.492 1.274) 3.219 7.915 ( 0.348 3.557 2.647) 4.448 7.992 ( 3.348 -0.711 -2.471) 4.221 8.080 ( -0.823 -0.611 -4.446) 4.562 8.197 ( -0.352 0.738 -0.256) 0.856 8.215 ( -1.147 -0.272 -0.718) 1.380 8.259 ( -3.827 0.553 0.332) 3.881 8.282 ( -4.689 0.406 -0.269) 4.714 8.771 ( 0.217 5.210 2.035) 5.598 8.788 ( -0.708 4.840 1.887) 5.243 8.888 ( 1.471 3.858 -0.744) 4.196 8.917 ( 0.308 2.901 -1.474) 3.268 9.208 ( 3.680 -0.678 0.607) 3.791 9.256 ( 2.933 -1.807 -1.872) 3.921 9.350 ( -1.277 -1.756 1.420) 2.595 9.374 ( -1.218 -2.457 -0.012) 2.742 ======================= Grid point 166 (65/105) ======================= q-point: (-0.50 0.38 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.835 0.241 0.070) 0.872 1.320 ( 0.835 0.241 0.070) 0.872 1.446 ( -0.549 -2.785 -1.197) 3.081 1.446 ( 0.549 -2.785 -1.197) 3.081 1.572 ( -1.370 0.138 0.886) 1.637 1.572 ( 1.370 0.138 0.886) 1.637 1.626 ( -1.039 0.575 -0.958) 1.526 1.626 ( 1.039 0.575 -0.958) 1.526 1.956 ( -0.969 0.753 4.001) 4.185 1.956 ( 0.969 0.753 4.001) 4.185 2.081 ( -2.690 1.392 -0.789) 3.130 2.081 ( 2.690 1.392 -0.789) 3.130 2.172 ( -3.816 0.058 0.191) 3.821 2.172 ( 3.816 0.058 0.191) 3.821 2.269 ( -1.273 -1.613 -2.172) 2.990 2.269 ( 1.273 -1.613 -2.172) 2.990 3.457 ( -2.634 4.074 2.788) 5.596 3.457 ( 2.634 4.074 2.788) 5.596 3.605 ( -1.099 4.154 -3.075) 5.284 3.605 ( 1.099 4.154 -3.075) 5.284 3.968 ( -4.655 1.007 2.684) 5.467 3.968 ( 4.655 1.007 2.684) 5.467 4.107 ( -2.716 0.600 -1.601) 3.209 4.107 ( 2.716 0.600 -1.601) 3.209 4.871 ( -2.013 8.455 5.224) 10.141 4.871 ( 2.013 8.455 5.224) 10.141 5.254 ( -0.836 0.257 -5.960) 6.024 5.254 ( 0.836 0.257 -5.960) 6.024 6.777 ( -1.180 2.259 1.266) 2.846 6.777 ( 1.180 2.259 1.266) 2.846 6.895 ( -1.550 -0.497 0.356) 1.666 6.895 ( 1.550 -0.497 0.356) 1.666 7.921 ( -0.216 2.752 2.077) 3.454 7.921 ( 0.216 2.752 2.077) 3.454 8.051 ( -2.260 -0.959 -3.611) 4.367 8.051 ( 2.260 -0.959 -3.611) 4.367 8.203 ( -0.462 -0.075 -0.160) 0.494 8.203 ( 0.462 -0.075 -0.160) 0.494 8.219 ( -0.956 0.017 -0.227) 0.983 8.219 ( 0.956 0.017 -0.227) 0.983 8.776 ( -0.404 5.423 2.048) 5.811 8.776 ( 0.404 5.423 2.048) 5.811 8.912 ( -0.784 3.601 -1.212) 3.879 8.912 ( 0.784 3.601 -1.212) 3.879 9.269 ( -1.867 -0.744 -0.585) 2.093 9.269 ( 1.867 -0.744 -0.585) 2.093 9.347 ( -1.205 -2.545 0.671) 2.894 9.347 ( 1.205 -2.545 0.671) 2.894 ======================= Grid point 171 (66/105) ======================= q-point: ( 0.00 0.46 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 0.138 0.915) 0.925 1.344 ( 0.000 -0.642 0.655) 0.917 1.441 ( 0.000 1.815 0.001) 1.815 1.476 ( 0.000 -1.177 -1.190) 1.674 1.598 ( 0.000 2.526 -0.853) 2.666 1.603 ( 0.000 2.017 -1.638) 2.599 1.714 ( 0.000 1.081 4.493) 4.622 1.752 ( 0.000 -2.657 3.015) 4.018 1.892 ( 0.000 2.983 -4.200) 5.152 1.959 ( 0.000 -3.128 -5.509) 6.335 2.056 ( 0.000 2.079 1.957) 2.855 2.107 ( 0.000 -2.623 -0.488) 2.668 2.469 ( 0.000 1.001 -0.054) 1.002 2.478 ( 0.000 -0.035 -0.528) 0.529 2.655 ( 0.000 2.645 1.494) 3.037 2.683 ( 0.000 -0.321 0.179) 0.367 3.271 ( 0.000 7.034 3.119) 7.695 3.379 ( 0.000 -1.943 -2.177) 2.918 3.506 ( 0.000 -0.163 1.273) 1.283 3.514 ( 0.000 -2.368 3.523) 4.245 3.613 ( 0.000 6.669 -0.879) 6.727 3.713 ( 0.000 -3.241 -3.228) 4.574 4.205 ( 0.000 1.118 0.274) 1.151 4.214 ( 0.000 0.177 -0.182) 0.254 5.179 ( 0.000 9.713 2.695) 10.080 5.316 ( 0.000 -3.563 -3.545) 5.025 5.347 ( 0.000 6.557 1.943) 6.839 5.428 ( 0.000 -1.487 -1.491) 2.106 6.952 ( 0.000 0.905 1.914) 2.117 6.966 ( 0.000 -0.400 1.454) 1.508 7.170 ( 0.000 4.742 2.057) 5.169 7.262 ( 0.000 -4.029 -1.680) 4.365 7.847 ( 0.000 1.008 -0.232) 1.034 7.858 ( 0.000 -0.025 -0.638) 0.639 8.072 ( 0.000 0.713 -0.951) 1.188 8.083 ( 0.000 -0.342 -1.275) 1.320 8.373 ( 0.000 3.136 -3.625) 4.793 8.383 ( 0.000 2.120 -3.479) 4.075 8.557 ( 0.000 1.944 3.681) 4.162 8.564 ( 0.000 1.131 4.043) 4.198 8.801 ( 0.000 3.293 -0.329) 3.309 8.834 ( 0.000 1.245 -1.577) 2.009 8.843 ( 0.000 0.459 0.539) 0.708 8.862 ( 0.000 -1.742 -0.356) 1.778 8.963 ( 0.000 -0.712 0.848) 1.107 8.988 ( 0.000 -2.310 -0.396) 2.344 9.380 ( 0.000 -0.380 0.268) 0.465 9.382 ( 0.000 -0.552 0.175) 0.579 ======================= Grid point 172 (67/105) ======================= q-point: ( 0.12 0.46 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.544 0.314 0.690) 0.933 1.351 ( 0.647 -0.648 0.331) 0.974 1.433 ( -0.862 1.806 -0.297) 2.023 1.469 ( -0.782 -1.356 -1.475) 2.151 1.581 ( -1.282 2.581 -0.319) 2.900 1.597 ( -0.547 1.168 -1.115) 1.705 1.701 ( -1.377 1.435 4.316) 4.752 1.747 ( -0.891 -2.987 3.120) 4.410 1.884 ( -0.231 3.838 -3.887) 5.468 1.967 ( 0.932 -3.766 -5.366) 6.622 2.040 ( -1.453 1.903 1.715) 2.944 2.088 ( -1.788 -2.486 -0.563) 3.113 2.405 ( -5.334 0.888 0.011) 5.408 2.415 ( -5.451 -0.121 -0.483) 5.474 2.614 ( -4.043 2.259 1.350) 4.824 2.638 ( -4.389 -0.282 0.180) 4.402 3.318 ( 4.093 6.839 2.923) 8.489 3.421 ( 3.647 -1.786 -2.253) 4.644 3.519 ( 1.153 0.342 1.444) 1.879 3.537 ( 1.913 -2.585 2.789) 4.257 3.661 ( 4.607 6.626 -0.130) 8.071 3.763 ( 4.562 -3.345 -3.109) 6.455 4.194 ( -1.031 1.271 0.312) 1.666 4.207 ( -0.737 0.062 -0.268) 0.786 5.159 ( -1.893 9.705 2.685) 10.246 5.292 ( -2.393 -1.037 -2.881) 3.886 5.321 ( -2.411 4.114 1.409) 4.973 5.404 ( -2.374 -1.882 -1.659) 3.455 6.930 ( -2.108 0.931 1.753) 2.895 6.945 ( -1.982 -0.487 1.207) 2.371 7.130 ( -3.840 4.185 1.973) 6.013 7.209 ( -4.989 -3.370 -1.272) 6.153 7.861 ( 1.349 1.089 -0.134) 1.738 7.874 ( 1.550 -0.183 -0.731) 1.724 8.044 ( -2.123 2.009 -0.158) 2.927 8.078 ( -0.826 -1.519 -1.625) 2.373 8.341 ( -2.828 2.663 -3.146) 4.998 8.344 ( -3.385 2.222 -3.010) 5.045 8.482 ( -5.456 1.524 3.126) 6.470 8.510 ( -5.501 -0.953 1.892) 5.895 8.817 ( 1.603 3.885 0.581) 4.243 8.849 ( 0.997 1.473 -0.436) 1.831 8.865 ( 1.649 0.449 -0.009) 1.709 8.880 ( 1.495 -0.696 -0.072) 1.650 9.023 ( 4.818 -1.269 0.203) 4.987 9.030 ( 3.989 -1.410 -0.115) 4.233 9.374 ( -0.572 -0.349 0.305) 0.736 9.378 ( -0.459 -0.689 0.143) 0.840 ======================= Grid point 173 (68/105) ======================= q-point: ( 0.25 0.46 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.201 1.241 0.287) 1.289 1.367 ( 0.770 -0.664 -0.561) 1.161 1.406 ( -1.608 1.156 -0.916) 2.182 1.442 ( -1.791 -1.763 -2.006) 3.216 1.562 ( -0.349 1.963 0.947) 2.207 1.589 ( -0.112 -0.490 0.513) 0.718 1.660 ( -2.368 1.543 3.156) 4.236 1.704 ( -3.003 -2.210 1.700) 4.097 1.905 ( 2.250 3.969 -1.857) 4.926 2.000 ( 2.037 -3.639 -4.047) 5.812 2.006 ( -1.452 0.654 0.562) 1.689 2.040 ( -2.476 -1.411 -0.434) 2.883 2.290 ( -5.481 0.769 0.064) 5.535 2.306 ( -4.439 -0.816 -0.655) 4.561 2.494 ( -7.588 1.540 1.079) 7.817 2.512 ( -7.770 -0.278 0.139) 7.776 3.411 ( 4.595 6.224 2.653) 8.178 3.501 ( 3.771 -1.270 -1.834) 4.381 3.546 ( 1.370 0.987 1.682) 2.383 3.579 ( 2.008 -2.472 1.433) 3.493 3.783 ( 6.871 5.869 0.740) 9.067 3.877 ( 6.212 -3.125 -2.759) 7.481 4.164 ( -1.949 1.760 0.452) 2.665 4.186 ( -1.308 -0.324 -0.537) 1.451 5.109 ( -2.802 9.682 2.628) 10.417 5.218 ( -4.702 5.902 -0.200) 7.549 5.264 ( -2.897 -2.645 -0.938) 4.033 5.337 ( -3.968 -2.958 -2.015) 5.344 6.875 ( -3.000 1.141 1.459) 3.526 6.895 ( -2.649 -0.708 0.661) 2.820 7.026 ( -6.001 2.930 1.738) 6.901 7.079 ( -7.192 -2.087 -0.479) 7.504 7.898 ( 2.150 1.317 0.021) 2.522 7.917 ( 2.560 -0.624 -0.897) 2.783 8.003 ( -1.625 3.071 0.729) 3.550 8.057 ( -0.981 -2.514 -1.511) 3.092 8.269 ( -3.569 1.892 -2.204) 4.602 8.276 ( -3.225 1.398 -2.528) 4.330 8.365 ( -5.708 0.329 1.561) 5.927 8.383 ( -6.259 -1.400 0.708) 6.453 8.849 ( 1.321 3.808 0.768) 4.103 8.869 ( 0.794 2.795 0.215) 2.913 8.896 ( 1.396 0.019 0.036) 1.396 8.912 ( 1.432 -0.765 -0.278) 1.647 9.118 ( 4.780 0.066 0.412) 4.798 9.134 ( 5.224 -1.518 -0.307) 5.449 9.357 ( -1.137 -0.339 0.352) 1.238 9.363 ( -0.997 -0.931 0.078) 1.367 ======================= Grid point 174 (69/105) ======================= q-point: ( 0.38 0.46 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.459 2.058 -0.018) 2.109 1.363 ( -1.307 1.646 -1.588) 2.634 1.386 ( -0.230 -2.740 -0.697) 2.837 1.407 ( -1.509 -2.495 -1.727) 3.389 1.567 ( 0.673 1.341 1.492) 2.116 1.593 ( 0.558 -1.027 1.690) 2.055 1.617 ( -1.706 1.116 1.743) 2.682 1.649 ( -2.112 -1.465 0.493) 2.617 1.959 ( 2.649 3.572 -0.227) 4.453 1.985 ( -0.047 1.757 0.644) 1.871 2.018 ( 0.951 -1.102 -0.445) 1.523 2.050 ( 2.119 -4.266 -3.411) 5.858 2.202 ( -2.919 1.451 0.345) 3.278 2.238 ( -2.407 -1.992 -1.427) 3.435 2.325 ( -8.324 0.995 0.894) 8.431 2.343 ( -8.163 -0.651 -0.067) 8.189 3.492 ( 3.303 5.293 2.456) 6.705 3.551 ( 0.653 2.632 1.166) 2.951 3.580 ( 2.130 -1.868 -0.334) 2.853 3.610 ( 0.903 -2.440 0.395) 2.632 3.919 ( 6.322 4.995 0.881) 8.105 3.997 ( 5.313 -2.235 -2.302) 6.206 4.114 ( -3.014 2.419 0.718) 3.931 4.152 ( -2.175 -1.019 -0.960) 2.586 5.060 ( -1.628 9.608 2.432) 10.044 5.121 ( -4.427 8.478 1.247) 9.645 5.214 ( -1.703 -4.955 -1.950) 5.590 5.257 ( -3.607 -4.290 -2.264) 6.045 6.824 ( -1.562 1.754 1.305) 2.687 6.852 ( -1.307 -0.590 0.039) 1.434 6.908 ( -5.036 1.597 1.703) 5.551 6.945 ( -5.494 -1.627 0.021) 5.730 7.942 ( 2.024 1.713 0.200) 2.659 7.972 ( 2.618 -1.246 -1.095) 3.100 7.982 ( -0.447 3.090 0.916) 3.254 8.041 ( -0.762 -2.761 -1.453) 3.211 8.213 ( -1.767 0.970 -1.277) 2.386 8.221 ( -1.981 0.349 -1.736) 2.658 8.263 ( -4.122 0.028 0.497) 4.152 8.273 ( -4.421 -0.977 0.095) 4.529 8.868 ( 0.649 4.193 0.812) 4.320 8.878 ( 0.140 3.913 0.641) 3.968 8.921 ( 1.038 -0.643 -0.107) 1.226 8.933 ( 0.591 -1.215 -0.475) 1.432 9.208 ( 3.962 0.615 0.413) 4.031 9.227 ( 3.834 -1.170 -0.440) 4.032 9.328 ( -1.760 -0.377 0.462) 1.858 9.337 ( -1.563 -1.259 0.014) 2.007 ======================= Grid point 175 (70/105) ======================= q-point: (-0.50 0.46 0.25) 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.907 1.703 -0.719) 2.059 1.338 ( 0.907 1.704 -0.719) 2.059 1.386 ( -0.437 -2.964 -1.178) 3.219 1.386 ( 0.437 -2.964 -1.178) 3.219 1.585 ( -1.104 1.308 1.594) 2.339 1.585 ( 1.104 1.308 1.594) 2.339 1.617 ( -1.238 -1.429 0.721) 2.023 1.617 ( 1.238 -1.429 0.721) 2.023 1.993 ( -0.332 3.061 0.596) 3.136 1.993 ( 0.332 3.061 0.596) 3.136 2.061 ( -1.740 -2.996 -1.665) 3.845 2.061 ( 1.740 -2.996 -1.665) 3.845 2.191 ( -2.505 1.745 0.134) 3.056 2.191 ( 2.505 1.745 0.134) 3.056 2.230 ( -1.597 -2.096 -0.695) 2.725 2.230 ( 1.597 -2.096 -0.695) 2.725 3.541 ( -1.474 4.227 2.198) 4.987 3.541 ( 1.474 4.227 2.198) 4.987 3.612 ( -0.784 -2.441 -0.366) 2.590 3.612 ( 0.784 -2.441 -0.366) 2.590 4.030 ( -4.341 4.122 0.447) 6.003 4.030 ( 4.341 4.122 0.447) 6.003 4.095 ( -3.325 -2.000 -1.226) 4.069 4.095 ( 3.325 -2.000 -1.226) 4.069 5.057 ( -1.542 9.320 1.993) 9.655 5.057 ( 1.542 9.320 1.993) 9.655 5.207 ( -1.092 -5.171 -2.248) 5.743 5.207 ( 1.092 -5.171 -2.248) 5.743 6.824 ( -1.574 2.467 0.953) 3.078 6.824 ( 1.574 2.467 0.953) 3.078 6.869 ( -1.743 -1.953 0.520) 2.669 6.869 ( 1.743 -1.953 0.520) 2.669 7.972 ( -0.843 2.425 0.546) 2.625 7.972 ( 0.843 2.425 0.546) 2.625 8.018 ( -1.692 -2.145 -1.449) 3.093 8.018 ( 1.692 -2.145 -1.449) 3.093 8.202 ( -0.369 0.494 -0.549) 0.826 8.202 ( 0.369 0.494 -0.549) 0.826 8.216 ( -0.539 -0.594 -0.399) 0.896 8.216 ( 0.539 -0.594 -0.399) 0.896 8.877 ( -0.244 4.381 0.791) 4.458 8.877 ( 0.244 4.381 0.791) 4.458 8.935 ( -0.333 -1.170 -0.344) 1.264 8.935 ( 0.333 -1.170 -0.344) 1.264 9.271 ( -1.478 0.960 -0.249) 1.779 9.271 ( 1.478 0.960 -0.249) 1.779 9.302 ( -1.212 -1.985 0.438) 2.367 9.302 ( 1.212 -1.985 0.438) 2.367 ======================= Grid point 234 (71/105) ======================= 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 0.000 -9.334) 9.334 0.596 ( 0.000 0.000 9.334) 9.334 0.603 ( 0.000 0.000 -14.553) 14.553 0.603 ( 0.000 0.000 14.553) 14.553 1.051 ( 0.000 0.000 -0.193) 0.193 1.051 ( 0.000 0.000 0.193) 0.193 1.209 ( 0.000 0.000 -23.238) 23.238 1.209 ( 0.000 0.000 23.238) 23.238 1.681 ( 0.000 0.000 -9.946) 9.946 1.681 ( 0.000 0.000 9.946) 9.946 1.758 ( 0.000 0.000 -24.212) 24.212 1.758 ( 0.000 0.000 24.212) 24.212 1.871 ( 0.000 0.000 -7.604) 7.604 1.871 ( 0.000 0.000 7.604) 7.604 1.879 ( 0.000 0.000 -6.748) 6.748 1.879 ( 0.000 0.000 6.748) 6.748 2.486 ( 0.000 0.000 -3.782) 3.782 2.486 ( 0.000 0.000 3.782) 3.782 3.531 ( 0.000 0.000 -3.421) 3.421 3.531 ( 0.000 0.000 3.421) 3.421 4.002 ( 0.000 0.000 -5.866) 5.866 4.002 ( 0.000 0.000 5.866) 5.866 4.302 ( 0.000 0.000 -0.610) 0.610 4.302 ( 0.000 0.000 0.610) 0.610 5.167 ( 0.000 0.000 -6.678) 6.678 5.167 ( 0.000 0.000 6.678) 6.678 5.581 ( 0.000 0.000 -2.258) 2.258 5.581 ( 0.000 0.000 2.258) 2.258 6.066 ( 0.000 0.000 -14.317) 14.317 6.066 ( 0.000 0.000 14.317) 14.317 6.413 ( 0.000 0.000 -16.419) 16.419 6.413 ( 0.000 0.000 16.419) 16.419 7.501 ( 0.000 0.000 -5.782) 5.782 7.501 ( 0.000 0.000 5.782) 5.782 7.619 ( 0.000 0.000 -2.024) 2.024 7.619 ( 0.000 0.000 2.024) 2.024 7.654 ( 0.000 0.000 -4.715) 4.715 7.654 ( 0.000 0.000 4.715) 4.715 8.134 ( 0.000 0.000 -1.064) 1.064 8.134 ( 0.000 0.000 1.064) 1.064 8.747 ( 0.000 0.000 -3.671) 3.671 8.747 ( 0.000 0.000 3.671) 3.671 8.909 ( 0.000 0.000 -2.071) 2.071 8.909 ( 0.000 0.000 2.071) 2.071 9.314 ( 0.000 0.000 -1.183) 1.183 9.314 ( 0.000 0.000 1.183) 1.183 9.713 ( 0.000 0.000 -0.011) 0.011 9.713 ( 0.000 0.000 0.011) 0.011 ======================= Grid point 236 (72/105) ======================= q-point: ( 0.12 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 6.631 0.000 -7.459) 9.980 0.671 ( 6.631 0.000 7.459) 9.980 0.741 ( 12.097 0.000 -10.426) 15.970 0.741 ( 12.097 0.000 10.426) 15.970 1.059 ( 0.793 0.000 -0.142) 0.806 1.059 ( 0.793 0.000 0.142) 0.806 1.336 ( 11.138 0.000 -18.236) 21.369 1.336 ( 11.138 0.000 18.236) 21.369 1.685 ( -5.379 0.000 -13.542) 14.571 1.685 ( -5.379 0.000 13.542) 14.571 1.707 ( 2.495 0.000 -9.562) 9.882 1.707 ( 2.495 0.000 9.562) 9.882 1.891 ( 1.134 0.000 -6.594) 6.691 1.891 ( 1.134 0.000 6.594) 6.691 1.909 ( 2.212 0.000 -3.968) 4.543 1.909 ( 2.212 0.000 3.968) 4.543 2.451 ( -2.712 0.000 -2.218) 3.503 2.451 ( -2.712 0.000 2.218) 3.503 3.521 ( -1.207 0.000 -5.029) 5.172 3.521 ( -1.207 0.000 5.029) 5.172 4.033 ( 2.712 0.000 -5.376) 6.021 4.033 ( 2.712 0.000 5.376) 6.021 4.294 ( -0.624 0.000 -0.989) 1.169 4.294 ( -0.624 0.000 0.989) 1.169 5.154 ( -0.939 0.000 -4.886) 4.975 5.154 ( -0.939 0.000 4.886) 4.975 5.527 ( -3.992 0.000 -4.218) 5.808 5.527 ( -3.992 0.000 4.218) 5.808 6.081 ( 1.424 0.000 -14.400) 14.471 6.081 ( 1.424 0.000 14.400) 14.471 6.399 ( -1.346 0.000 -16.260) 16.315 6.399 ( -1.346 0.000 16.260) 16.315 7.442 ( -4.191 0.000 -3.898) 5.723 7.442 ( -4.191 0.000 3.898) 5.723 7.678 ( 4.143 0.000 -0.279) 4.153 7.678 ( 4.143 0.000 0.279) 4.153 7.774 ( 9.152 0.000 -0.527) 9.167 7.774 ( 9.152 0.000 0.527) 9.167 8.137 ( 0.293 0.000 -2.478) 2.496 8.137 ( 0.293 0.000 2.478) 2.496 8.743 ( -0.413 0.000 -2.903) 2.932 8.743 ( -0.413 0.000 2.903) 2.932 8.893 ( -1.703 0.000 -1.538) 2.294 8.893 ( -1.703 0.000 1.538) 2.294 9.330 ( 1.594 0.000 -1.465) 2.165 9.330 ( 1.594 0.000 1.465) 2.165 9.706 ( -0.623 0.000 -1.274) 1.418 9.706 ( -0.623 0.000 1.274) 1.418 ======================= Grid point 238 (73/105) ======================= q-point: ( 0.25 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 7.820 0.000 -4.418) 8.982 0.825 ( 7.820 0.000 4.418) 8.982 1.022 ( 14.328 0.000 -7.799) 16.313 1.022 ( 14.328 0.000 7.799) 16.313 1.077 ( 0.821 0.000 -0.126) 0.831 1.077 ( 0.821 0.000 0.126) 0.831 1.529 ( 1.387 0.000 -3.852) 4.094 1.529 ( 1.387 0.000 3.852) 4.094 1.610 ( 2.401 0.000 -6.842) 7.251 1.610 ( 2.401 0.000 6.842) 7.251 1.773 ( 3.655 0.000 -8.413) 9.172 1.773 ( 3.655 0.000 8.413) 9.172 1.919 ( 1.391 0.000 -6.112) 6.269 1.919 ( 1.391 0.000 6.112) 6.269 1.927 ( -1.159 0.000 -4.527) 4.673 1.927 ( -1.159 0.000 4.527) 4.673 2.443 ( 4.148 0.000 -5.512) 6.899 2.443 ( 4.148 0.000 5.512) 6.899 3.469 ( -4.367 0.000 -6.373) 7.726 3.469 ( -4.367 0.000 6.373) 7.726 4.097 ( 3.353 0.000 -4.966) 5.992 4.097 ( 3.353 0.000 4.966) 5.992 4.283 ( -0.428 0.000 -2.075) 2.118 4.283 ( -0.428 0.000 2.075) 2.118 5.141 ( -0.214 0.000 -2.025) 2.036 5.141 ( -0.214 0.000 2.025) 2.036 5.454 ( -3.064 0.000 -2.738) 4.109 5.454 ( -3.064 0.000 2.738) 4.109 6.122 ( 2.532 0.000 -14.618) 14.835 6.122 ( 2.532 0.000 14.618) 14.835 6.361 ( -2.347 0.000 -15.885) 16.057 6.361 ( -2.347 0.000 15.885) 16.057 7.359 ( -3.717 0.000 -2.812) 4.661 7.359 ( -3.717 0.000 2.812) 4.661 7.759 ( 3.580 0.000 -0.242) 3.589 7.759 ( 3.580 0.000 0.242) 3.589 7.946 ( 7.228 0.000 -1.858) 7.463 7.946 ( 7.228 0.000 1.858) 7.463 8.147 ( 0.669 0.000 -3.283) 3.350 8.147 ( 0.669 0.000 3.283) 3.350 8.728 ( -1.104 0.000 -3.297) 3.477 8.728 ( -1.104 0.000 3.297) 3.477 8.840 ( -3.263 0.000 -1.239) 3.490 8.840 ( -3.263 0.000 1.239) 3.490 9.381 ( 3.384 0.000 -1.988) 3.925 9.381 ( 3.384 0.000 1.988) 3.925 9.686 ( -1.467 0.000 -2.127) 2.584 9.686 ( -1.467 0.000 2.127) 2.584 ======================= Grid point 240 (74/105) ======================= q-point: ( 0.38 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 5.738 0.000 -2.220) 6.153 0.965 ( 5.738 0.000 2.220) 6.153 1.084 ( -0.414 0.000 -0.276) 0.498 1.084 ( -0.414 0.000 0.276) 0.498 1.280 ( 9.865 0.000 -9.354) 13.595 1.280 ( 9.865 0.000 9.354) 13.595 1.495 ( 0.051 0.000 -4.600) 4.600 1.495 ( 0.051 0.000 4.600) 4.600 1.661 ( -0.408 0.000 -3.086) 3.112 1.661 ( -0.408 0.000 3.086) 3.112 1.842 ( 2.847 0.000 -6.032) 6.670 1.842 ( 2.847 0.000 6.032) 6.670 1.851 ( -5.534 0.000 -2.205) 5.957 1.851 ( -5.534 0.000 2.205) 5.957 1.941 ( 0.662 0.000 -4.770) 4.816 1.941 ( 0.662 0.000 4.770) 4.816 2.642 ( 13.456 0.000 -8.654) 15.999 2.642 ( 13.456 0.000 8.654) 15.999 3.338 ( -8.280 0.000 -5.578) 9.983 3.338 ( -8.280 0.000 5.578) 9.983 4.160 ( 2.629 0.000 -4.333) 5.068 4.160 ( 2.629 0.000 4.333) 5.068 4.275 ( -0.433 0.000 -2.840) 2.873 4.275 ( -0.433 0.000 2.840) 2.873 5.143 ( 0.288 0.000 -0.422) 0.510 5.143 ( 0.288 0.000 0.422) 0.510 5.404 ( -1.833 0.000 -0.777) 1.990 5.404 ( -1.833 0.000 0.777) 1.990 6.180 ( 3.105 0.000 -14.879) 15.200 6.180 ( 3.105 0.000 14.879) 15.200 6.307 ( -2.914 0.000 -15.477) 15.748 6.307 ( -2.914 0.000 15.477) 15.748 7.298 ( -2.167 0.000 -1.611) 2.700 7.298 ( -2.167 0.000 1.611) 2.700 7.816 ( 2.015 0.000 -0.201) 2.025 7.816 ( 2.015 0.000 0.201) 2.025 8.060 ( 3.977 0.000 -0.910) 4.080 8.060 ( 3.977 0.000 0.910) 4.080 8.162 ( 0.674 0.000 -2.433) 2.525 8.162 ( 0.674 0.000 2.433) 2.525 8.707 ( -0.582 0.000 -4.069) 4.110 8.707 ( -0.582 0.000 4.069) 4.110 8.770 ( -3.365 0.000 -2.000) 3.914 8.770 ( -3.365 0.000 2.000) 3.914 9.461 ( 4.322 0.000 -2.299) 4.895 9.461 ( 4.322 0.000 2.299) 4.895 9.644 ( -2.705 0.000 -2.506) 3.688 9.644 ( -2.705 0.000 2.506) 3.688 ======================= Grid point 242 (75/105) ======================= 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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.056 ( -0.000 0.000 -0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 -0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.569 ( -0.000 0.000 -0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 -0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 -0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 -0.000) 0.000 1.874 ( 0.000 0.000 -0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 -0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 -0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 -0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 -0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 -0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 6.241 ( -0.000 0.000 -0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 -0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 -0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.837 ( 0.000 0.000 -0.000) 0.000 7.837 ( 0.000 0.000 0.000) 0.000 8.101 ( -0.000 0.000 -0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.715 ( -0.000 0.000 -0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.719 ( -0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 9.526 ( -0.000 0.000 -0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 -0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 252 (76/105) ======================= q-point: ( 0.00 0.08 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 8.455 -11.649) 14.394 0.686 ( 0.000 8.455 11.649) 14.394 0.745 ( 0.000 8.959 -11.446) 14.536 0.745 ( 0.000 8.959 11.446) 14.536 1.188 ( 0.000 11.917 -0.896) 11.951 1.188 ( 0.000 11.917 0.896) 11.951 1.278 ( 0.000 9.127 -14.620) 17.235 1.278 ( 0.000 9.127 14.620) 17.235 1.642 ( 0.000 -2.811 -13.208) 13.504 1.642 ( 0.000 -2.811 13.208) 13.504 1.791 ( 0.000 0.399 -4.607) 4.625 1.791 ( 0.000 0.399 4.607) 4.625 1.969 ( 0.000 13.652 -9.098) 16.406 1.969 ( 0.000 13.652 9.098) 16.406 2.092 ( 0.000 13.570 -12.336) 18.339 2.092 ( 0.000 13.570 12.336) 18.339 2.491 ( 0.000 0.937 -3.310) 3.440 2.491 ( 0.000 0.937 3.310) 3.440 3.521 ( 0.000 -0.898 -2.917) 3.052 3.521 ( 0.000 -0.898 2.917) 3.052 3.979 ( 0.000 -2.279 -5.639) 6.082 3.979 ( 0.000 -2.279 5.639) 6.082 4.282 ( 0.000 -1.808 -0.622) 1.912 4.282 ( 0.000 -1.808 0.622) 1.912 5.120 ( 0.000 -3.889 -3.157) 5.009 5.120 ( 0.000 -3.889 3.157) 5.009 5.266 ( 0.000 -16.133 -3.522) 16.513 5.266 ( 0.000 -16.133 3.522) 16.513 6.421 ( 0.000 14.974 -8.166) 17.056 6.421 ( 0.000 14.974 8.166) 17.056 6.742 ( 0.000 30.647 -1.023) 30.664 6.742 ( 0.000 30.647 1.023) 30.664 7.492 ( 0.000 -0.925 -5.424) 5.503 7.492 ( 0.000 -0.925 5.424) 5.503 7.643 ( 0.000 2.370 -1.614) 2.868 7.643 ( 0.000 2.370 1.614) 2.868 7.679 ( 0.000 2.338 -4.192) 4.800 7.679 ( 0.000 2.338 4.192) 4.800 8.154 ( 0.000 2.032 -1.098) 2.309 8.154 ( 0.000 2.032 1.098) 2.309 8.749 ( 0.000 0.154 -3.308) 3.311 8.749 ( 0.000 0.154 3.308) 3.311 8.875 ( 0.000 -3.095 -1.738) 3.550 8.875 ( 0.000 -3.095 1.738) 3.550 9.293 ( 0.000 -1.973 -1.649) 2.571 9.293 ( 0.000 -1.973 1.649) 2.571 9.684 ( 0.000 -2.835 -0.017) 2.835 9.684 ( 0.000 -2.835 0.017) 2.835 ======================= Grid point 254 (77/105) ======================= q-point: ( 0.12 0.08 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 8.388 6.652 -6.292) 12.418 0.779 ( 8.388 6.652 6.292) 12.418 0.826 ( 7.231 8.725 -7.382) 13.524 0.826 ( 7.231 8.725 7.382) 13.524 1.196 ( 0.775 11.820 -0.812) 11.873 1.196 ( 0.775 11.820 0.812) 11.873 1.377 ( 8.837 6.291 -11.381) 15.722 1.377 ( 8.837 6.291 11.381) 15.722 1.615 ( -2.603 -2.307 -10.432) 10.997 1.615 ( -2.603 -2.307 10.432) 10.997 1.798 ( 0.685 0.569 -2.071) 2.254 1.798 ( 0.685 0.569 2.071) 2.254 1.965 ( 0.224 12.691 -9.050) 15.588 1.965 ( 0.224 12.691 9.050) 15.588 2.094 ( -0.250 11.915 -10.499) 15.883 2.094 ( -0.250 11.915 10.499) 15.883 2.469 ( -1.369 2.446 -2.002) 3.445 2.469 ( -1.369 2.446 2.002) 3.445 3.510 ( -1.321 -1.042 -4.528) 4.831 3.510 ( -1.321 -1.042 4.528) 4.831 4.010 ( 2.806 -2.184 -5.197) 6.297 4.010 ( 2.806 -2.184 5.197) 6.297 4.275 ( -0.628 -1.821 -1.031) 2.185 4.275 ( -0.628 -1.821 1.031) 2.185 5.106 ( -0.906 -4.016 -1.792) 4.490 5.106 ( -0.906 -4.016 1.792) 4.490 5.283 ( 1.092 -14.410 -2.364) 14.643 5.283 ( 1.092 -14.410 2.364) 14.643 6.402 ( -1.777 16.471 -8.194) 18.482 6.402 ( -1.777 16.471 8.194) 18.482 6.633 ( -7.594 23.891 -8.001) 26.315 6.633 ( -7.594 23.891 8.001) 26.315 7.451 ( -3.234 0.790 -4.096) 5.278 7.451 ( -3.234 0.790 4.096) 5.278 7.683 ( 3.357 1.110 -0.245) 3.545 7.683 ( 3.357 1.110 0.245) 3.545 7.797 ( 8.576 1.809 -0.464) 8.777 7.797 ( 8.576 1.809 0.464) 8.777 8.155 ( 0.097 1.804 -2.281) 2.910 8.155 ( 0.097 1.804 2.281) 2.910 8.744 ( -0.456 0.074 -2.533) 2.575 8.744 ( -0.456 0.074 2.533) 2.575 8.865 ( -1.277 -2.575 -1.354) 3.177 8.865 ( -1.277 -2.575 1.354) 3.177 9.309 ( 1.589 -2.008 -1.821) 3.142 9.309 ( 1.589 -2.008 1.821) 3.142 9.677 ( -0.591 -2.795 -1.274) 3.128 9.677 ( -0.591 -2.795 1.274) 3.128 ======================= Grid point 256 (78/105) ======================= q-point: ( 0.25 0.08 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 7.715 10.123 -3.602) 13.228 0.953 ( 7.715 10.123 3.602) 13.228 1.024 ( 11.498 1.713 -7.928) 14.071 1.024 ( 11.498 1.713 7.928) 14.071 1.217 ( 1.228 11.749 -1.096) 11.864 1.217 ( 1.228 11.749 1.096) 11.864 1.531 ( -0.857 0.750 -4.284) 4.433 1.531 ( -0.857 0.750 4.284) 4.433 1.581 ( 4.867 -0.116 -6.260) 7.930 1.581 ( 4.867 -0.116 6.260) 7.930 1.819 ( 1.390 0.812 -1.761) 2.386 1.819 ( 1.390 0.812 1.761) 2.386 1.977 ( -0.008 9.021 -7.930) 12.011 1.977 ( -0.008 9.021 7.930) 12.011 2.069 ( -1.713 9.158 -5.706) 10.926 2.069 ( -1.713 9.158 5.706) 10.926 2.497 ( 5.628 6.130 -7.543) 11.232 2.497 ( 5.628 6.130 7.543) 11.232 3.457 ( -4.245 -1.038 -5.914) 7.354 3.457 ( -4.245 -1.038 5.914) 7.354 4.077 ( 3.412 -1.997 -4.726) 6.162 4.077 ( 3.412 -1.997 4.726) 6.162 4.263 ( -0.477 -1.931 -2.000) 2.821 4.263 ( -0.477 -1.931 2.000) 2.821 5.095 ( -0.098 -3.790 -0.392) 3.811 5.095 ( -0.098 -3.790 0.392) 3.811 5.294 ( -0.059 -11.796 -0.977) 11.837 5.294 ( -0.059 -11.796 0.977) 11.837 6.364 ( -1.546 16.920 -9.454) 19.444 6.364 ( -1.546 16.920 9.454) 19.444 6.510 ( -4.402 14.975 -13.070) 20.358 6.510 ( -4.402 14.975 13.070) 20.358 7.384 ( -3.079 2.648 -2.914) 4.998 7.384 ( -3.079 2.648 2.914) 4.998 7.752 ( 3.200 0.004 -0.441) 3.231 7.752 ( 3.200 0.004 0.441) 3.231 7.958 ( 6.891 0.862 -1.493) 7.103 7.958 ( 6.891 0.862 1.493) 7.103 8.160 ( 0.398 1.316 -2.883) 3.194 8.160 ( 0.398 1.316 2.883) 3.194 8.727 ( -1.230 -0.066 -2.688) 2.956 8.727 ( -1.230 -0.066 2.688) 2.956 8.819 ( -3.041 -1.971 -1.048) 3.773 8.819 ( -3.041 -1.971 1.048) 3.773 9.359 ( 3.361 -2.036 -2.193) 4.500 9.359 ( 3.361 -2.036 2.193) 4.500 9.659 ( -1.371 -2.671 -2.139) 3.687 9.659 ( -1.371 -2.671 2.139) 3.687 ======================= Grid point 258 (79/105) ======================= q-point: ( 0.38 0.08 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 5.461 10.375 -2.060) 11.904 1.087 ( 5.461 10.375 2.060) 11.904 1.191 ( 2.017 6.859 -2.246) 7.494 1.191 ( 2.017 6.859 2.246) 7.494 1.277 ( 5.903 3.187 -7.158) 9.810 1.277 ( 5.903 3.187 7.158) 9.810 1.496 ( 0.410 0.474 -6.110) 6.142 1.496 ( 0.410 0.474 6.110) 6.142 1.646 ( 0.159 -0.358 -1.379) 1.433 1.646 ( 0.159 -0.358 1.379) 1.433 1.815 ( -3.256 -0.245 -1.645) 3.656 1.815 ( -3.256 -0.245 1.645) 3.656 1.967 ( 0.956 7.854 -5.736) 9.772 1.967 ( 0.956 7.854 5.736) 9.772 2.055 ( -0.282 8.887 -4.350) 9.898 2.055 ( -0.282 8.887 4.350) 9.898 2.695 ( 12.312 5.647 -8.961) 16.241 2.695 ( 12.312 5.647 8.961) 16.241 3.332 ( -7.797 -0.345 -5.347) 9.460 3.332 ( -7.797 -0.345 5.347) 9.460 4.139 ( 2.504 -2.033 -3.965) 5.112 4.139 ( 2.504 -2.033 3.965) 5.112 4.255 ( -0.374 -1.989 -2.553) 3.258 4.255 ( -0.374 -1.989 2.553) 3.258 5.099 ( 0.342 -3.588 -0.157) 3.608 5.099 ( 0.342 -3.588 0.157) 3.608 5.284 ( -0.686 -10.046 -0.245) 10.072 5.284 ( -0.686 -10.046 0.245) 10.072 6.350 ( 0.106 13.163 -9.423) 16.189 6.350 ( 0.106 13.163 9.423) 16.189 6.443 ( -2.445 13.053 -11.127) 17.325 6.443 ( -2.445 13.053 11.127) 17.325 7.333 ( -1.825 3.864 -1.606) 4.565 7.333 ( -1.825 3.864 1.606) 4.565 7.804 ( 1.837 -0.527 -0.370) 1.947 7.804 ( 1.837 -0.527 0.370) 1.947 8.071 ( 4.231 0.786 -0.749) 4.368 8.071 ( 4.231 0.786 0.749) 4.368 8.168 ( 0.257 0.691 -2.100) 2.225 8.168 ( 0.257 0.691 2.100) 2.225 8.702 ( -0.891 -0.464 -3.410) 3.554 8.702 ( -0.891 -0.464 3.410) 3.554 8.753 ( -3.153 -1.618 -1.685) 3.924 8.753 ( -3.153 -1.618 1.685) 3.924 9.438 ( 4.142 -2.226 -2.345) 5.254 9.438 ( 4.142 -2.226 2.345) 5.254 9.619 ( -2.491 -2.376 -2.454) 4.228 9.619 ( -2.491 -2.376 2.454) 4.228 ======================= Grid point 260 (80/105) ======================= q-point: (-0.50 0.08 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 9.932 -0.000) 9.932 1.162 ( 0.000 9.932 0.000) 9.932 1.184 ( -0.000 10.675 -0.000) 10.675 1.184 ( -0.000 10.675 0.000) 10.675 1.337 ( 0.000 -1.365 -0.000) 1.365 1.337 ( 0.000 -1.365 0.000) 1.365 1.553 ( 0.000 -0.920 -0.000) 0.920 1.553 ( 0.000 -0.920 0.000) 0.920 1.615 ( 0.000 1.147 -0.000) 1.147 1.615 ( 0.000 1.147 0.000) 1.147 1.755 ( -0.000 -0.159 -0.000) 0.159 1.755 ( -0.000 -0.159 0.000) 0.159 1.992 ( -0.000 8.791 -0.000) 8.791 1.992 ( -0.000 8.791 0.000) 8.791 2.047 ( 0.000 7.972 -0.000) 7.972 2.047 ( 0.000 7.972 0.000) 7.972 2.871 ( 0.000 3.958 -0.000) 3.958 2.871 ( 0.000 3.958 0.000) 3.958 3.210 ( -0.000 0.478 -0.000) 0.478 3.210 ( -0.000 0.478 0.000) 0.478 4.167 ( 0.000 -2.228 -0.000) 2.228 4.167 ( 0.000 -2.228 0.000) 2.228 4.249 ( -0.000 -1.883 -0.000) 1.883 4.249 ( -0.000 -1.883 0.000) 1.883 5.104 ( 0.000 -3.501 -0.000) 3.501 5.104 ( 0.000 -3.501 0.000) 3.501 5.276 ( 0.000 -9.502 -0.000) 9.502 5.276 ( 0.000 -9.502 0.000) 9.502 6.356 ( 0.000 9.809 -0.000) 9.809 6.356 ( 0.000 9.809 0.000) 9.809 6.415 ( -0.000 14.541 -0.000) 14.541 6.415 ( -0.000 14.541 0.000) 14.541 7.314 ( -0.000 4.303 -0.000) 4.303 7.314 ( -0.000 4.303 0.000) 4.303 7.823 ( 0.000 -0.690 -0.000) 0.690 7.823 ( -0.000 -0.690 0.000) 0.690 8.118 ( -0.000 1.368 -0.000) 1.368 8.118 ( -0.000 1.368 0.000) 1.368 8.169 ( 0.000 -0.026 -0.000) 0.026 8.169 ( 0.000 -0.026 0.000) 0.026 8.705 ( 0.000 -1.305 -0.000) 1.305 8.705 ( 0.000 -1.305 -0.000) 1.305 8.705 ( -0.000 -0.899 0.000) 0.899 8.705 ( -0.000 -0.899 0.000) 0.899 9.498 ( 0.000 -2.692 -0.000) 2.692 9.498 ( 0.000 -2.692 0.000) 2.692 9.578 ( -0.000 -1.882 -0.000) 1.882 9.578 ( 0.000 -1.882 0.000) 1.882 ======================= Grid point 270 (81/105) ======================= q-point: ( 0.00 0.15 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 12.039 -7.931) 14.417 0.897 ( 0.000 12.039 7.931) 14.417 0.902 ( 0.000 8.116 -9.702) 12.649 0.902 ( 0.000 8.116 9.702) 12.649 1.446 ( 0.000 12.180 -1.981) 12.340 1.446 ( 0.000 12.180 1.981) 12.340 1.501 ( 0.000 8.834 -5.853) 10.597 1.501 ( 0.000 8.834 5.853) 10.597 1.657 ( 0.000 5.993 -6.273) 8.675 1.657 ( 0.000 5.993 6.273) 8.675 1.804 ( 0.000 2.064 -3.963) 4.468 1.804 ( 0.000 2.064 3.963) 4.468 2.219 ( 0.000 9.946 -3.749) 10.629 2.219 ( 0.000 9.946 3.749) 10.629 2.325 ( 0.000 7.868 -5.613) 9.665 2.325 ( 0.000 7.868 5.613) 9.665 2.572 ( 0.000 9.041 -2.596) 9.407 2.572 ( 0.000 9.041 2.596) 9.407 3.499 ( 0.000 -1.381 -1.682) 2.176 3.499 ( 0.000 -1.381 1.682) 2.176 3.916 ( 0.000 -3.938 -4.689) 6.123 3.916 ( 0.000 -3.938 4.689) 6.123 4.236 ( 0.000 -2.661 -0.620) 2.732 4.236 ( 0.000 -2.661 0.620) 2.732 5.007 ( 0.000 -7.462 -4.012) 8.472 5.007 ( 0.000 -7.462 4.012) 8.472 5.079 ( 0.000 -2.323 -3.740) 4.403 5.079 ( 0.000 -2.323 3.740) 4.403 6.686 ( 0.000 11.715 -8.654) 14.565 6.686 ( 0.000 11.715 8.654) 14.565 7.236 ( 0.000 13.562 -10.762) 17.313 7.236 ( 0.000 13.562 10.762) 17.313 7.497 ( 0.000 5.222 -4.666) 7.002 7.497 ( 0.000 5.222 4.666) 7.002 7.716 ( 0.000 4.765 -0.746) 4.823 7.716 ( 0.000 4.765 0.746) 4.823 7.743 ( 0.000 4.477 -1.743) 4.804 7.743 ( 0.000 4.477 1.743) 4.804 8.217 ( 0.000 4.338 -0.653) 4.387 8.217 ( 0.000 4.338 0.653) 4.387 8.749 ( 0.000 -0.413 -2.033) 2.075 8.749 ( 0.000 -0.413 2.033) 2.075 8.807 ( 0.000 -2.961 -1.286) 3.229 8.807 ( 0.000 -2.961 1.286) 3.229 9.243 ( 0.000 -2.975 -2.056) 3.616 9.243 ( 0.000 -2.975 2.056) 3.616 9.609 ( 0.000 -4.377 -0.024) 4.377 9.609 ( 0.000 -4.377 0.024) 4.377 ======================= Grid point 272 (82/105) ======================= q-point: ( 0.12 0.15 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 4.830 8.840 -6.505) 11.991 0.933 ( 4.830 8.840 6.505) 11.991 0.997 ( 7.216 8.523 -8.103) 13.798 0.997 ( 7.216 8.523 8.103) 13.798 1.452 ( 0.667 12.225 -2.247) 12.448 1.452 ( 0.667 12.225 2.247) 12.448 1.530 ( 2.109 4.748 -5.983) 7.924 1.530 ( 2.109 4.748 5.983) 7.924 1.649 ( -0.504 7.466 -3.442) 8.236 1.649 ( -0.504 7.466 3.442) 8.236 1.817 ( 1.275 2.758 -1.862) 3.564 1.817 ( 1.275 2.758 1.862) 3.564 2.194 ( -2.597 7.991 -4.740) 9.648 2.194 ( -2.597 7.991 4.740) 9.648 2.295 ( -2.463 7.742 -3.933) 9.026 2.295 ( -2.463 7.742 3.933) 9.026 2.598 ( 2.799 11.217 -6.437) 13.233 2.598 ( 2.799 11.217 6.437) 13.233 3.486 ( -1.375 -1.315 -3.255) 3.770 3.486 ( -1.375 -1.315 3.255) 3.770 3.950 ( 3.068 -3.745 -4.217) 6.420 3.950 ( 3.068 -3.745 4.217) 6.420 4.228 ( -0.747 -2.737 -0.974) 3.000 4.228 ( -0.747 -2.737 0.974) 3.000 5.007 ( 0.086 -6.325 -3.652) 7.304 5.007 ( 0.086 -6.325 3.652) 7.304 5.087 ( 0.607 -3.962 -3.194) 5.125 5.087 ( 0.607 -3.962 3.194) 5.125 6.672 ( -1.368 11.394 -8.319) 14.175 6.672 ( -1.368 11.394 8.319) 14.175 7.073 ( -12.126 15.010 -3.376) 19.589 7.073 ( -12.126 15.010 3.376) 19.589 7.493 ( -0.409 5.348 -3.610) 6.465 7.493 ( -0.409 5.348 3.610) 6.465 7.741 ( 1.904 4.844 -1.305) 5.366 7.741 ( 1.904 4.844 1.305) 5.366 7.840 ( 7.216 2.917 -1.417) 7.911 7.840 ( 7.216 2.917 1.417) 7.911 8.210 ( -0.572 3.772 -1.486) 4.095 8.210 ( -0.572 3.772 1.486) 4.095 8.742 ( -0.626 -0.544 -1.430) 1.653 8.742 ( -0.626 -0.544 1.430) 1.653 8.809 ( -0.435 -2.431 -0.841) 2.609 8.809 ( -0.435 -2.431 0.841) 2.609 9.258 ( 1.535 -2.997 -2.212) 4.029 9.258 ( 1.535 -2.997 2.212) 4.029 9.605 ( -0.473 -4.289 -1.199) 4.479 9.605 ( -0.473 -4.289 1.199) 4.479 ======================= Grid point 274 (83/105) ======================= q-point: ( 0.25 0.15 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 8.321 4.542 -5.085) 10.758 1.075 ( 8.321 4.542 5.085) 10.758 1.157 ( 7.783 8.212 -5.613) 12.631 1.157 ( 7.783 8.212 5.613) 12.631 1.470 ( 0.905 11.737 -2.305) 11.996 1.470 ( 0.905 11.737 2.305) 11.996 1.541 ( -1.292 0.937 -7.522) 7.689 1.541 ( -1.292 0.937 7.522) 7.689 1.659 ( 1.473 6.482 -1.799) 6.886 1.659 ( 1.473 6.482 1.799) 6.886 1.853 ( 1.717 3.704 -0.374) 4.100 1.853 ( 1.717 3.704 0.374) 4.100 2.117 ( -4.065 4.045 -4.323) 7.181 2.117 ( -4.065 4.045 4.323) 7.181 2.255 ( -1.404 8.813 -1.918) 9.128 2.255 ( -1.404 8.813 1.918) 9.128 2.696 ( 6.951 13.062 -8.961) 17.298 2.696 ( 6.951 13.062 8.961) 17.298 3.437 ( -3.570 -0.676 -4.589) 5.853 3.437 ( -3.570 -0.676 4.589) 5.853 4.023 ( 3.678 -3.297 -3.629) 6.129 4.023 ( 3.678 -3.297 3.629) 6.129 4.212 ( -0.756 -3.051 -1.712) 3.579 4.212 ( -0.756 -3.051 1.712) 3.579 5.013 ( 0.549 -5.103 -3.417) 6.166 5.013 ( 0.549 -5.103 3.417) 6.166 5.094 ( -0.079 -6.153 -2.830) 6.774 5.094 ( -0.079 -6.153 2.830) 6.774 6.633 ( -2.433 10.581 -7.293) 13.080 6.633 ( -2.433 10.581 7.293) 13.080 6.850 ( -8.794 14.260 -3.523) 17.121 6.850 ( -8.794 14.260 3.523) 17.121 7.484 ( -0.469 8.101 -2.254) 8.422 7.484 ( -0.469 8.101 2.254) 8.422 7.786 ( 2.232 3.720 -1.394) 4.557 7.786 ( 2.232 3.720 1.394) 4.557 7.977 ( 6.156 1.480 -1.342) 6.472 7.977 ( 6.156 1.480 1.342) 6.472 8.199 ( -0.414 2.619 -1.716) 3.158 8.199 ( -0.414 2.619 1.716) 3.158 8.722 ( -1.412 -0.623 -0.963) 1.819 8.722 ( -1.412 -0.623 0.963) 1.819 8.776 ( -2.617 -1.787 -0.628) 3.230 8.776 ( -2.617 -1.787 0.628) 3.230 9.307 ( 3.267 -3.034 -2.482) 5.103 9.307 ( 3.267 -3.034 2.482) 5.103 9.589 ( -1.106 -4.054 -2.023) 4.664 9.589 ( -1.106 -4.054 2.023) 4.664 ======================= Grid point 276 (84/105) ======================= q-point: ( 0.38 0.15 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 6.050 1.542 -5.123) 8.077 1.229 ( 6.050 1.542 5.123) 8.077 1.295 ( 5.705 8.474 -3.726) 10.874 1.295 ( 5.705 8.474 3.726) 10.874 1.467 ( -1.987 8.853 -3.973) 9.905 1.467 ( -1.987 8.853 3.973) 9.905 1.524 ( 0.863 2.874 -5.389) 6.168 1.524 ( 0.863 2.874 5.389) 6.168 1.682 ( 0.605 4.809 -2.616) 5.508 1.682 ( 0.605 4.809 2.616) 5.508 1.838 ( -3.408 2.928 -1.211) 4.653 1.838 ( -3.408 2.928 1.211) 4.653 2.095 ( 2.297 4.446 -2.354) 5.530 2.095 ( 2.297 4.446 2.354) 5.530 2.224 ( -1.930 7.130 -1.034) 7.458 2.224 ( -1.930 7.130 1.034) 7.458 2.869 ( 9.445 11.371 -8.049) 16.831 2.869 ( 9.445 11.371 8.049) 16.831 3.337 ( -6.153 1.144 -4.611) 7.774 3.337 ( -6.153 1.144 4.611) 7.774 4.087 ( 2.412 -2.962 -2.940) 4.821 4.087 ( 2.412 -2.962 2.940) 4.821 4.199 ( -0.471 -3.506 -2.004) 4.066 4.199 ( -0.471 -3.506 2.004) 4.066 5.029 ( 0.975 -4.303 -3.250) 5.480 5.029 ( 0.975 -4.303 3.250) 5.480 5.083 ( -0.937 -7.688 -2.871) 8.260 5.083 ( -0.937 -7.688 2.871) 8.260 6.580 ( -2.395 9.474 -3.989) 10.555 6.580 ( -2.395 9.474 3.989) 10.555 6.731 ( -3.276 12.301 -3.354) 13.164 6.731 ( -3.276 12.301 3.354) 13.164 7.476 ( -0.265 10.883 -1.015) 10.933 7.476 ( -0.265 10.883 1.015) 10.933 7.824 ( 1.389 2.844 -0.871) 3.282 7.824 ( 1.389 2.844 0.871) 3.282 8.086 ( 4.498 0.950 -0.703) 4.651 8.086 ( 4.498 0.950 0.703) 4.651 8.191 ( -0.595 1.589 -1.005) 1.973 8.191 ( -0.595 1.589 1.005) 1.973 8.690 ( -1.450 -0.775 -1.297) 2.094 8.690 ( -1.450 -0.775 1.297) 2.094 8.718 ( -2.724 -1.461 -0.706) 3.171 8.718 ( -2.724 -1.461 0.706) 3.171 9.381 ( 3.689 -3.320 -2.362) 5.496 9.381 ( 3.689 -3.320 2.362) 5.496 9.558 ( -1.951 -3.585 -2.201) 4.637 9.558 ( -1.951 -3.585 2.201) 4.637 ======================= Grid point 278 (85/105) ======================= q-point: (-0.50 0.15 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 1.116 -0.000) 1.116 1.295 ( 0.000 1.116 0.000) 1.116 1.367 ( 0.000 9.042 -0.000) 9.042 1.367 ( 0.000 9.042 0.000) 9.042 1.425 ( -0.000 7.307 -0.000) 7.307 1.425 ( -0.000 7.307 0.000) 7.307 1.548 ( 0.000 0.365 -0.000) 0.365 1.548 ( 0.000 0.365 0.000) 0.365 1.688 ( 0.000 7.126 -0.000) 7.126 1.688 ( 0.000 7.126 0.000) 7.126 1.783 ( 0.000 3.269 -0.000) 3.269 1.783 ( 0.000 3.269 0.000) 3.269 2.150 ( -0.000 6.146 -0.000) 6.146 2.150 ( -0.000 6.146 0.000) 6.146 2.182 ( 0.000 4.656 -0.000) 4.656 2.182 ( 0.000 4.656 0.000) 4.656 3.003 ( 0.000 9.278 -0.000) 9.278 3.003 ( 0.000 9.278 0.000) 9.278 3.240 ( -0.000 2.763 -0.000) 2.763 3.240 ( -0.000 2.763 0.000) 2.763 4.113 ( -0.000 -2.908 -0.000) 2.908 4.113 ( -0.000 -2.908 0.000) 2.908 4.194 ( 0.000 -3.697 -0.000) 3.697 4.194 ( 0.000 -3.697 0.000) 3.697 5.045 ( -0.000 -1.752 -0.000) 1.752 5.045 ( -0.000 -1.752 0.000) 1.752 5.066 ( 0.000 -10.494 -0.000) 10.494 5.066 ( 0.000 -10.494 0.000) 10.494 6.553 ( -0.000 8.794 -0.000) 8.794 6.553 ( -0.000 8.794 0.000) 8.794 6.700 ( 0.000 11.572 -0.000) 11.572 6.700 ( 0.000 11.572 0.000) 11.572 7.473 ( -0.000 11.996 -0.000) 11.996 7.473 ( -0.000 11.996 0.000) 11.996 7.838 ( 0.000 2.512 -0.000) 2.512 7.838 ( -0.000 2.512 0.000) 2.512 8.145 ( -0.000 1.284 -0.000) 1.284 8.145 ( -0.000 1.284 0.000) 1.284 8.174 ( 0.000 0.782 -0.000) 0.782 8.174 ( 0.000 0.782 0.000) 0.782 8.675 ( 0.000 -1.331 -0.000) 1.331 8.675 ( -0.000 -1.331 0.000) 1.331 8.685 ( -0.000 -0.906 -0.000) 0.906 8.685 ( -0.000 -0.906 0.000) 0.906 9.430 ( 0.000 -3.868 -0.000) 3.868 9.430 ( 0.000 -3.868 0.000) 3.868 9.528 ( -0.000 -2.985 -0.000) 2.985 9.528 ( -0.000 -2.985 0.000) 2.985 ======================= Grid point 288 (86/105) ======================= q-point: ( 0.00 0.23 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 9.712 -2.213) 9.961 1.084 ( 0.000 9.712 2.213) 9.961 1.134 ( 0.000 11.410 -4.603) 12.304 1.134 ( 0.000 11.410 4.603) 12.304 1.545 ( 0.000 0.438 -1.421) 1.487 1.545 ( 0.000 0.438 1.421) 1.487 1.669 ( 0.000 7.075 -1.405) 7.213 1.669 ( 0.000 7.075 1.405) 7.213 1.789 ( 0.000 4.716 -3.339) 5.779 1.789 ( 0.000 4.716 3.339) 5.779 1.925 ( 0.000 9.037 -1.494) 9.159 1.925 ( 0.000 9.037 1.494) 9.159 2.339 ( 0.000 3.059 -0.796) 3.161 2.339 ( 0.000 3.059 0.796) 3.161 2.446 ( 0.000 5.827 -1.032) 5.918 2.446 ( 0.000 5.827 1.032) 5.918 2.812 ( 0.000 12.848 -4.694) 13.679 2.812 ( 0.000 12.848 4.694) 13.679 3.469 ( 0.000 -1.327 -0.075) 1.329 3.469 ( 0.000 -1.327 0.075) 1.329 3.830 ( 0.000 -4.523 -2.660) 5.247 3.830 ( 0.000 -4.523 2.660) 5.247 4.189 ( 0.000 -1.791 -0.575) 1.881 4.189 ( 0.000 -1.791 0.575) 1.881 4.925 ( 0.000 -0.372 -10.659) 10.665 4.925 ( 0.000 -0.372 10.659) 10.665 5.088 ( 0.000 2.912 -8.740) 9.213 5.088 ( 0.000 2.912 8.740) 9.213 6.859 ( 0.000 5.552 -4.526) 7.163 6.859 ( 0.000 5.552 4.526) 7.163 7.274 ( 0.000 -2.728 -8.479) 8.907 7.274 ( 0.000 -2.728 8.479) 8.907 7.712 ( 0.000 8.797 -2.614) 9.177 7.712 ( 0.000 8.797 2.614) 9.177 7.820 ( 0.000 7.868 -4.924) 9.281 7.820 ( 0.000 7.868 4.924) 9.281 7.882 ( 0.000 8.696 -4.011) 9.577 7.882 ( 0.000 8.696 4.011) 9.577 8.326 ( 0.000 6.472 -1.090) 6.563 8.326 ( 0.000 6.472 1.090) 6.563 8.720 ( 0.000 -1.811 -0.492) 1.877 8.720 ( 0.000 -1.811 0.492) 1.877 8.786 ( 0.000 0.448 -0.967) 1.066 8.786 ( 0.000 0.448 0.967) 1.066 9.179 ( 0.000 -3.421 -1.784) 3.858 9.179 ( 0.000 -3.421 1.784) 3.858 9.521 ( 0.000 -4.251 -0.045) 4.251 9.521 ( 0.000 -4.251 0.045) 4.251 ======================= Grid point 290 (87/105) ======================= q-point: ( 0.12 0.23 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.288 8.817 -1.372) 9.212 1.113 ( 2.288 8.817 1.372) 9.212 1.175 ( 4.471 9.281 -3.859) 11.000 1.175 ( 4.471 9.281 3.859) 11.000 1.546 ( -0.041 0.233 -2.408) 2.420 1.546 ( -0.041 0.233 2.408) 2.420 1.665 ( -0.384 6.250 -1.057) 6.350 1.665 ( -0.384 6.250 1.057) 6.350 1.786 ( -0.082 5.519 -2.141) 5.921 1.786 ( -0.082 5.519 2.141) 5.921 1.943 ( 1.523 8.270 -2.103) 8.669 1.943 ( 1.523 8.270 2.103) 8.669 2.280 ( -5.167 2.489 -3.028) 6.485 2.280 ( -5.167 2.489 3.028) 6.485 2.431 ( -1.381 5.956 -1.043) 6.202 2.431 ( -1.381 5.956 1.043) 6.202 2.855 ( 4.057 13.142 -5.098) 14.668 2.855 ( 4.057 13.142 5.098) 14.668 3.462 ( -0.737 -0.807 -1.627) 1.960 3.462 ( -0.737 -0.807 1.627) 1.960 3.869 ( 3.478 -4.303 -2.129) 5.928 3.869 ( 3.478 -4.303 2.129) 5.928 4.179 ( -0.921 -1.849 -0.770) 2.204 4.179 ( -0.921 -1.849 0.770) 2.204 4.923 ( -0.242 -1.032 -10.389) 10.443 4.923 ( -0.242 -1.032 10.389) 10.443 5.083 ( -0.520 2.587 -8.487) 8.887 5.083 ( -0.520 2.587 8.487) 8.887 6.839 ( -1.902 5.407 -4.260) 7.141 6.839 ( -1.902 5.407 4.260) 7.141 7.187 ( -7.880 0.005 -6.170) 10.008 7.187 ( -7.880 0.005 6.170) 10.008 7.678 ( -1.314 10.018 -0.820) 10.137 7.678 ( -1.314 10.018 0.820) 10.137 7.840 ( 1.670 4.415 -3.381) 5.806 7.840 ( 1.670 4.415 3.381) 5.806 7.952 ( 4.962 8.705 -4.266) 10.890 7.952 ( 4.962 8.705 4.266) 10.890 8.302 ( -1.995 5.388 -0.856) 5.809 8.302 ( -1.995 5.388 0.856) 5.809 8.720 ( -0.164 -1.075 -1.079) 1.532 8.720 ( -0.164 -1.075 1.079) 1.532 8.789 ( -0.152 0.291 -0.153) 0.363 8.789 ( -0.152 0.291 0.153) 0.363 9.195 ( 1.641 -3.262 -2.057) 4.191 9.195 ( 1.641 -3.262 2.057) 4.191 9.518 ( -0.307 -4.167 -0.965) 4.288 9.518 ( -0.307 -4.167 0.965) 4.288 ======================= Grid point 292 (88/105) ======================= q-point: ( 0.25 0.23 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.204 5.422 -1.930) 7.127 1.178 ( 4.204 5.422 1.930) 7.127 1.297 ( 6.690 6.279 -3.733) 9.906 1.297 ( 6.690 6.279 3.733) 9.906 1.540 ( -0.458 0.139 -3.963) 3.992 1.540 ( -0.458 0.139 3.963) 3.992 1.647 ( -1.567 4.130 -1.678) 4.725 1.647 ( -1.567 4.130 1.678) 4.725 1.796 ( 1.197 7.411 -1.278) 7.615 1.796 ( 1.197 7.411 1.278) 7.615 1.965 ( -0.066 5.991 -1.813) 6.260 1.965 ( -0.066 5.991 1.813) 6.260 2.174 ( -3.960 2.725 -2.277) 5.319 2.174 ( -3.960 2.725 2.277) 5.319 2.389 ( -2.895 4.617 -1.747) 5.723 2.389 ( -2.895 4.617 1.747) 5.723 2.966 ( 6.589 13.218 -4.947) 15.576 2.966 ( 6.589 13.218 4.947) 15.576 3.437 ( -1.860 0.806 -2.463) 3.190 3.437 ( -1.860 0.806 2.463) 3.190 3.952 ( 4.315 -3.722 -1.595) 5.918 3.952 ( 4.315 -3.722 1.595) 5.918 4.155 ( -1.289 -2.158 -1.235) 2.801 4.155 ( -1.289 -2.158 1.235) 2.801 4.915 ( -0.512 -2.764 -9.001) 9.429 4.915 ( -0.512 -2.764 9.001) 9.429 5.068 ( -0.853 2.004 -7.331) 7.648 5.068 ( -0.853 2.004 7.331) 7.648 6.786 ( -3.201 5.044 -3.669) 7.010 6.786 ( -3.201 5.044 3.669) 7.010 7.009 ( -8.380 3.198 -1.971) 9.183 7.009 ( -8.380 3.198 1.971) 9.183 7.680 ( 1.268 9.807 -0.858) 9.926 7.680 ( 1.268 9.807 0.858) 9.926 7.878 ( 1.820 4.123 -2.289) 5.055 7.878 ( 1.820 4.123 2.289) 5.055 8.048 ( 4.376 6.354 -3.246) 8.370 8.048 ( 4.376 6.354 3.246) 8.370 8.259 ( -1.985 3.277 -0.247) 3.840 8.259 ( -1.985 3.277 0.247) 3.840 8.707 ( -1.147 -0.281 -0.904) 1.487 8.707 ( -1.147 -0.281 0.904) 1.487 8.766 ( -2.079 0.776 -0.824) 2.367 8.766 ( -2.079 0.776 0.824) 2.367 9.246 ( 3.262 -3.009 -2.449) 5.069 9.246 ( 3.262 -3.009 2.449) 5.069 9.508 ( -0.788 -3.957 -1.619) 4.348 9.508 ( -0.788 -3.957 1.619) 4.348 ======================= Grid point 294 (89/105) ======================= q-point: ( 0.38 0.23 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.244 2.173 -2.934) 5.598 1.269 ( 4.244 2.173 2.934) 5.598 1.417 ( 4.855 4.206 -3.289) 7.216 1.417 ( 4.855 4.206 3.289) 7.216 1.529 ( -0.794 0.831 -5.485) 5.604 1.529 ( -0.794 0.831 5.485) 5.604 1.602 ( -2.639 2.354 -1.077) 3.697 1.602 ( -2.639 2.354 1.077) 3.697 1.831 ( 2.054 8.448 -0.796) 8.730 1.831 ( 2.054 8.448 0.796) 8.730 1.928 ( -2.790 5.192 -1.622) 6.113 1.928 ( -2.790 5.192 1.622) 6.113 2.157 ( 1.961 2.420 -1.574) 3.490 2.157 ( 1.961 2.420 1.574) 3.490 2.316 ( -4.201 2.187 -2.443) 5.330 2.316 ( -4.201 2.187 2.443) 5.330 3.109 ( 7.195 11.996 -4.185) 14.601 3.109 ( 7.195 11.996 4.185) 14.601 3.382 ( -3.632 3.317 -2.682) 5.602 3.382 ( -3.632 3.317 2.682) 5.602 4.030 ( 3.126 -2.781 -1.726) 4.526 4.030 ( 3.126 -2.781 1.726) 4.526 4.129 ( -1.319 -3.015 -1.629) 3.672 4.129 ( -1.319 -3.015 1.629) 3.672 4.904 ( -0.502 -4.758 -5.443) 7.247 4.904 ( -0.502 -4.758 5.443) 7.247 5.052 ( -0.655 1.728 -4.443) 4.812 5.052 ( -0.655 1.728 4.443) 4.812 6.718 ( -3.120 4.628 -2.282) 6.030 6.718 ( -3.120 4.628 2.282) 6.030 6.883 ( -3.859 3.961 -1.035) 5.626 6.883 ( -3.859 3.961 1.035) 5.626 7.713 ( 1.615 10.834 -0.603) 10.970 7.713 ( 1.615 10.834 0.603) 10.970 7.905 ( 0.745 4.277 -1.188) 4.501 7.905 ( 0.745 4.277 1.188) 4.501 8.127 ( 3.336 3.518 -2.022) 5.253 8.127 ( 3.336 3.518 2.022) 5.253 8.226 ( -1.415 1.681 -0.378) 2.230 8.226 ( -1.415 1.681 0.378) 2.230 8.680 ( -1.207 0.455 -0.788) 1.511 8.680 ( -1.207 0.455 0.788) 1.511 8.717 ( -2.348 1.648 -0.941) 3.019 8.717 ( -2.348 1.648 0.941) 3.019 9.315 ( 3.234 -3.132 -2.200) 5.011 9.315 ( 3.234 -3.132 2.200) 5.011 9.485 ( -1.364 -3.561 -1.692) 4.171 9.485 ( -1.364 -3.561 1.692) 4.171 ======================= Grid point 296 (90/105) ======================= q-point: (-0.50 0.23 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 1.150 -0.000) 1.150 1.321 ( 0.000 1.150 0.000) 1.150 1.477 ( 0.000 2.080 -0.000) 2.080 1.477 ( 0.000 2.080 0.000) 2.080 1.513 ( -0.000 2.770 -0.000) 2.770 1.513 ( -0.000 2.770 0.000) 2.770 1.565 ( 0.000 1.225 -0.000) 1.225 1.565 ( 0.000 1.225 0.000) 1.225 1.864 ( -0.000 8.634 -0.000) 8.634 1.864 ( -0.000 8.634 0.000) 8.634 1.887 ( 0.000 6.600 -0.000) 6.600 1.887 ( 0.000 6.600 0.000) 6.600 2.219 ( -0.000 0.996 -0.000) 0.996 2.219 ( -0.000 0.996 0.000) 0.996 2.233 ( 0.000 1.033 -0.000) 1.033 2.233 ( 0.000 1.033 0.000) 1.033 3.214 ( 0.000 11.173 -0.000) 11.173 3.214 ( 0.000 11.173 0.000) 11.173 3.316 ( -0.000 4.582 -0.000) 4.582 3.316 ( -0.000 4.582 0.000) 4.582 4.068 ( -0.000 -1.279 -0.000) 1.279 4.068 ( -0.000 -1.279 0.000) 1.279 4.109 ( 0.000 -4.552 -0.000) 4.552 4.109 ( 0.000 -4.552 0.000) 4.552 4.898 ( 0.000 -5.671 -0.000) 5.671 4.898 ( 0.000 -5.671 0.000) 5.671 5.045 ( 0.000 1.706 -0.000) 1.706 5.045 ( 0.000 1.706 0.000) 1.706 6.682 ( 0.000 4.410 -0.000) 4.410 6.682 ( 0.000 4.410 0.000) 4.410 6.846 ( 0.000 3.975 -0.000) 3.975 6.846 ( 0.000 3.975 0.000) 3.975 7.732 ( 0.000 11.755 -0.000) 11.755 7.732 ( 0.000 11.755 0.000) 11.755 7.911 ( 0.000 4.028 -0.000) 4.028 7.911 ( 0.000 4.028 0.000) 4.028 8.171 ( -0.000 1.362 -0.000) 1.362 8.171 ( -0.000 1.362 0.000) 1.362 8.203 ( 0.000 1.895 -0.000) 1.895 8.203 ( 0.000 1.895 0.000) 1.895 8.667 ( 0.000 0.872 0.000) 0.872 8.667 ( -0.000 0.872 0.000) 0.872 8.689 ( 0.000 2.099 -0.000) 2.099 8.689 ( 0.000 2.099 0.000) 2.099 9.355 ( 0.000 -3.491 0.000) 3.491 9.355 ( 0.000 -3.491 0.000) 3.491 9.466 ( -0.000 -3.140 0.000) 3.140 9.466 ( 0.000 -3.140 0.000) 3.140 ======================= Grid point 306 (91/105) ======================= q-point: ( 0.00 0.31 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 6.474 -0.458) 6.490 1.252 ( 0.000 6.474 0.458) 6.490 1.340 ( 0.000 9.243 -2.380) 9.545 1.340 ( 0.000 9.243 2.380) 9.545 1.528 ( 0.000 -1.817 -1.855) 2.597 1.528 ( 0.000 -1.817 1.855) 2.597 1.752 ( 0.000 2.280 -3.999) 4.603 1.752 ( 0.000 2.280 3.999) 4.603 1.864 ( 0.000 2.428 -3.315) 4.109 1.864 ( 0.000 2.428 3.315) 4.109 2.063 ( 0.000 4.198 -3.252) 5.310 2.063 ( 0.000 4.198 3.252) 5.310 2.395 ( 0.000 2.961 -1.703) 3.415 2.395 ( 0.000 2.961 1.703) 3.415 2.552 ( 0.000 4.711 -3.241) 5.718 2.552 ( 0.000 4.711 3.241) 5.718 3.040 ( 0.000 9.971 -0.891) 10.011 3.040 ( 0.000 9.971 0.891) 10.011 3.463 ( 0.000 1.009 -1.517) 1.822 3.463 ( 0.000 1.009 1.517) 1.822 3.746 ( 0.000 -3.849 -0.426) 3.873 3.746 ( 0.000 -3.849 0.426) 3.873 4.174 ( 0.000 0.253 -0.713) 0.757 4.174 ( 0.000 0.253 0.713) 0.757 4.984 ( 0.000 5.824 -13.066) 14.305 4.984 ( 0.000 5.824 13.066) 14.305 5.182 ( 0.000 6.055 -9.841) 11.555 5.182 ( 0.000 6.055 9.841) 11.555 6.924 ( 0.000 1.796 -1.388) 2.270 6.924 ( 0.000 1.796 1.388) 2.270 7.231 ( 0.000 -1.230 -7.988) 8.082 7.231 ( 0.000 -1.230 7.988) 8.082 7.796 ( 0.000 2.211 -0.385) 2.245 7.796 ( 0.000 2.211 0.385) 2.245 7.994 ( 0.000 6.468 -3.280) 7.252 7.994 ( 0.000 6.468 3.280) 7.252 8.064 ( 0.000 9.645 -3.014) 10.105 8.064 ( 0.000 9.645 3.014) 10.105 8.456 ( 0.000 6.133 -2.621) 6.670 8.456 ( 0.000 6.133 2.621) 6.670 8.706 ( 0.000 0.680 -2.431) 2.524 8.706 ( 0.000 0.680 2.431) 2.524 8.807 ( 0.000 1.516 -0.155) 1.524 8.807 ( 0.000 1.516 0.155) 1.524 9.109 ( 0.000 -3.650 -0.895) 3.758 9.109 ( 0.000 -3.650 0.895) 3.758 9.448 ( 0.000 -3.016 -0.093) 3.017 9.448 ( 0.000 -3.016 0.093) 3.017 ======================= Grid point 308 (92/105) ======================= q-point: ( 0.12 0.31 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.482 5.667 -0.717) 5.733 1.260 ( 0.482 5.667 0.717) 5.733 1.350 ( 1.486 7.924 -2.372) 8.404 1.350 ( 1.486 7.924 2.372) 8.404 1.531 ( 0.165 -1.500 -2.716) 3.107 1.531 ( 0.165 -1.500 2.716) 3.107 1.733 ( -1.820 1.671 -3.285) 4.110 1.733 ( -1.820 1.671 3.285) 4.110 1.879 ( 1.452 3.071 -3.529) 4.898 1.879 ( 1.452 3.071 3.529) 4.898 2.062 ( -0.330 3.226 -2.958) 4.390 2.062 ( -0.330 3.226 2.958) 4.390 2.334 ( -5.109 3.004 -2.003) 6.255 2.334 ( -5.109 3.004 2.003) 6.255 2.529 ( -2.419 4.012 -3.088) 5.611 2.529 ( -2.419 4.012 3.088) 5.611 3.088 ( 4.364 10.146 -1.007) 11.090 3.088 ( 4.364 10.146 1.007) 11.090 3.468 ( 0.402 1.571 -1.036) 1.925 3.468 ( 0.402 1.571 1.036) 1.925 3.788 ( 3.826 -3.683 -1.045) 5.413 3.788 ( 3.826 -3.683 1.045) 5.413 4.164 ( -0.962 0.286 -0.873) 1.330 4.164 ( -0.962 0.286 0.873) 1.330 4.969 ( -1.481 5.279 -12.167) 13.345 4.969 ( -1.481 5.279 12.167) 13.345 5.170 ( -1.079 5.723 -9.115) 10.816 5.170 ( -1.079 5.723 9.115) 10.816 6.904 ( -1.934 1.836 -1.349) 2.989 6.904 ( -1.934 1.836 1.349) 2.989 7.174 ( -5.374 -0.478 -6.675) 8.583 7.174 ( -5.374 -0.478 6.675) 8.583 7.806 ( 0.832 3.221 -1.450) 3.628 7.806 ( 0.832 3.221 1.450) 3.628 7.947 ( -1.960 6.115 -5.934) 8.743 7.947 ( -1.960 6.115 5.934) 8.743 8.122 ( 3.330 7.193 -4.106) 8.927 8.122 ( 3.330 7.193 4.106) 8.927 8.411 ( -3.813 5.147 -2.423) 6.848 8.411 ( -3.813 5.147 2.423) 6.848 8.722 ( 0.958 1.501 -2.391) 2.981 8.722 ( 0.958 1.501 2.391) 2.981 8.810 ( 0.129 1.715 -1.050) 2.015 8.810 ( 0.129 1.715 1.050) 2.015 9.130 ( 2.147 -3.194 -1.403) 4.096 9.130 ( 2.147 -3.194 1.403) 4.096 9.446 ( -0.224 -3.015 -0.624) 3.087 9.446 ( -0.224 -3.015 0.624) 3.087 ======================= Grid point 310 (93/105) ======================= q-point: ( 0.25 0.31 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.966 3.809 -0.394) 3.949 1.272 ( 0.966 3.809 0.394) 3.949 1.405 ( 3.502 4.229 -2.647) 6.095 1.405 ( 3.502 4.229 2.647) 6.095 1.534 ( 0.180 -0.519 -3.986) 4.023 1.534 ( 0.180 -0.519 3.986) 4.023 1.685 ( -2.788 0.638 -1.655) 3.305 1.685 ( -2.788 0.638 1.655) 3.305 1.920 ( 2.407 4.295 -2.957) 5.743 1.920 ( 2.407 4.295 2.957) 5.743 2.037 ( -2.107 1.296 -1.145) 2.726 2.037 ( -2.107 1.296 1.145) 2.726 2.237 ( -3.531 3.133 -0.950) 4.815 2.237 ( -3.531 3.133 0.950) 4.815 2.451 ( -5.214 2.129 -2.913) 6.341 2.451 ( -5.214 2.129 2.913) 6.341 3.197 ( 6.054 9.992 -1.642) 11.798 3.197 ( 6.054 9.992 1.642) 11.798 3.475 ( 0.160 3.015 -0.196) 3.025 3.475 ( 0.160 3.015 0.196) 3.025 3.881 ( 4.931 -3.231 -2.121) 6.265 3.881 ( 4.931 -3.231 2.121) 6.265 4.137 ( -1.572 0.289 -1.322) 2.074 4.137 ( -1.572 0.289 1.322) 2.074 4.928 ( -2.440 3.865 -9.338) 10.397 4.928 ( -2.440 3.865 9.338) 10.397 5.142 ( -1.527 4.918 -6.867) 8.584 5.142 ( -1.527 4.918 6.867) 8.584 6.850 ( -3.249 1.944 -1.423) 4.045 6.850 ( -3.249 1.944 1.423) 4.045 7.040 ( -6.917 0.870 -3.809) 7.945 7.040 ( -6.917 0.870 3.809) 7.945 7.830 ( 1.628 4.992 -1.458) 5.449 7.830 ( 1.628 4.992 1.458) 5.449 7.940 ( 0.879 3.013 -4.844) 5.772 7.940 ( 0.879 3.013 4.844) 5.772 8.174 ( 1.820 4.289 -2.832) 5.452 8.174 ( 1.820 4.289 2.832) 5.452 8.326 ( -4.236 3.431 -1.661) 5.699 8.326 ( -4.236 3.431 1.661) 5.699 8.730 ( -0.173 2.635 -1.927) 3.269 8.730 ( -0.173 2.635 1.927) 3.269 8.805 ( -0.675 3.014 -2.231) 3.811 8.805 ( -0.675 3.014 2.231) 3.811 9.191 ( 3.550 -2.501 -2.068) 4.810 9.191 ( 3.550 -2.501 2.068) 4.810 9.438 ( -0.629 -3.022 -1.042) 3.258 9.438 ( -0.629 -3.022 1.042) 3.258 ======================= Grid point 312 (94/105) ======================= q-point: ( 0.38 0.31 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.913 1.152 -0.640) 2.323 1.303 ( 1.913 1.152 0.640) 2.323 1.464 ( 1.771 0.215 -1.794) 2.530 1.464 ( 1.771 0.215 1.794) 2.530 1.545 ( 0.995 1.286 -3.613) 3.962 1.545 ( 0.995 1.286 3.613) 3.962 1.624 ( -2.931 0.451 -0.729) 3.054 1.624 ( -2.931 0.451 0.729) 3.054 1.964 ( 1.646 4.288 -1.023) 4.706 1.964 ( 1.646 4.288 1.023) 4.706 2.005 ( -0.271 2.401 -2.772) 3.677 2.005 ( -0.271 2.401 2.772) 3.677 2.198 ( -0.609 1.427 -3.328) 3.672 2.198 ( -0.609 1.427 3.328) 3.672 2.330 ( -6.142 -0.022 -2.883) 6.785 2.330 ( -6.142 -0.022 2.883) 6.785 3.319 ( 5.616 8.773 -2.124) 10.631 3.319 ( 5.616 8.773 2.124) 10.631 3.465 ( -1.329 4.933 -1.290) 5.269 3.465 ( -1.329 4.933 1.290) 5.269 3.973 ( 4.005 -2.624 -2.671) 5.483 3.973 ( 4.005 -2.624 2.671) 5.483 4.101 ( -2.032 0.158 -1.934) 2.809 4.101 ( -2.032 0.158 1.934) 2.809 4.880 ( -1.997 2.305 -4.953) 5.817 4.880 ( -1.997 2.305 4.953) 5.817 5.115 ( -1.072 4.086 -3.543) 5.513 5.115 ( -1.072 4.086 3.543) 5.513 6.781 ( -3.111 2.261 -1.252) 4.044 6.781 ( -3.111 2.261 1.252) 4.044 6.928 ( -3.706 1.259 -1.644) 4.245 6.928 ( -3.706 1.259 1.644) 4.245 7.870 ( 2.132 5.337 -1.281) 5.888 7.870 ( 2.132 5.337 1.281) 5.888 7.962 ( 0.927 1.718 -2.419) 3.109 7.962 ( 0.927 1.718 2.419) 3.109 8.198 ( 0.550 2.010 -1.794) 2.750 8.198 ( 0.550 2.010 1.794) 2.750 8.250 ( -2.916 1.121 -1.088) 3.308 8.250 ( -2.916 1.121 1.088) 3.308 8.721 ( -0.530 3.495 -1.432) 3.814 8.721 ( -0.530 3.495 1.432) 3.814 8.788 ( -0.749 5.223 -1.979) 5.635 8.788 ( -0.749 5.223 1.979) 5.635 9.261 ( 3.009 -2.324 -1.882) 4.242 9.261 ( 3.009 -2.324 1.882) 4.242 9.421 ( -1.018 -2.938 -1.105) 3.300 9.421 ( -1.018 -2.938 1.105) 3.300 ======================= Grid point 314 (95/105) ======================= q-point: (-0.50 0.31 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.000 -0.264 0.000) 0.264 1.329 ( 0.000 -0.264 0.000) 0.264 1.477 ( -0.000 -1.467 -0.000) 1.467 1.477 ( -0.000 -1.467 0.000) 1.467 1.562 ( 0.000 2.235 -0.000) 2.235 1.562 ( -0.000 2.235 0.000) 2.235 1.586 ( 0.000 0.817 -0.000) 0.817 1.586 ( 0.000 0.817 0.000) 0.817 1.986 ( -0.000 3.507 -0.000) 3.507 1.986 ( -0.000 3.507 0.000) 3.507 2.008 ( 0.000 4.860 -0.000) 4.860 2.008 ( 0.000 4.860 0.000) 4.860 2.205 ( 0.000 -1.886 -0.000) 1.886 2.205 ( 0.000 -1.886 0.000) 1.886 2.243 ( -0.000 0.259 -0.000) 0.259 2.243 ( -0.000 0.259 0.000) 0.259 3.411 ( -0.000 4.849 -0.000) 4.849 3.411 ( -0.000 4.849 0.000) 4.849 3.419 ( 0.000 8.995 -0.000) 8.995 3.419 ( 0.000 8.995 0.000) 8.995 4.030 ( 0.000 -3.000 -0.000) 3.000 4.030 ( 0.000 -3.000 0.000) 3.000 4.065 ( -0.000 0.747 -0.000) 0.747 4.065 ( -0.000 0.747 0.000) 0.747 4.858 ( 0.000 1.616 -0.000) 1.616 4.858 ( 0.000 1.616 0.000) 1.616 5.103 ( 0.000 3.726 -0.000) 3.726 5.103 ( 0.000 3.726 0.000) 3.726 6.746 ( 0.000 2.464 -0.000) 2.464 6.746 ( 0.000 2.464 0.000) 2.464 6.892 ( 0.000 1.174 -0.000) 1.174 6.892 ( 0.000 1.174 0.000) 1.174 7.897 ( 0.000 5.319 -0.000) 5.319 7.897 ( 0.000 5.319 0.000) 5.319 7.971 ( 0.000 1.770 -0.000) 1.770 7.971 ( 0.000 1.770 0.000) 1.770 8.199 ( 0.000 1.306 -0.000) 1.306 8.199 ( 0.000 1.306 0.000) 1.306 8.222 ( -0.000 -0.415 -0.000) 0.415 8.222 ( -0.000 -0.415 0.000) 0.415 8.715 ( 0.000 3.743 -0.000) 3.743 8.715 ( 0.000 3.743 0.000) 3.743 8.780 ( -0.000 6.389 -0.000) 6.389 8.780 ( -0.000 6.389 0.000) 6.389 9.296 ( -0.000 -2.425 -0.000) 2.425 9.296 ( -0.000 -2.425 0.000) 2.425 9.407 ( 0.000 -2.804 0.000) 2.804 9.407 ( 0.000 -2.804 0.000) 2.804 ======================= Grid point 324 (96/105) ======================= q-point: ( 0.00 0.38 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 1.894 -0.353) 1.926 1.332 ( 0.000 1.894 0.353) 1.926 1.474 ( 0.000 0.162 -0.443) 0.471 1.474 ( 0.000 0.162 0.443) 0.471 1.507 ( 0.000 4.011 -1.227) 4.194 1.507 ( 0.000 4.011 1.227) 4.194 1.781 ( 0.000 0.984 -4.594) 4.698 1.781 ( 0.000 0.984 4.594) 4.698 1.878 ( 0.000 -0.857 -6.701) 6.756 1.878 ( 0.000 -0.857 6.701) 6.756 2.099 ( 0.000 0.069 -3.326) 3.327 2.099 ( 0.000 0.069 3.326) 3.327 2.447 ( 0.000 1.954 -1.005) 2.197 2.447 ( 0.000 1.954 1.005) 2.197 2.631 ( 0.000 3.299 -2.671) 4.244 2.631 ( 0.000 3.299 2.671) 4.244 3.213 ( 0.000 7.609 -5.032) 9.123 3.213 ( 0.000 7.609 5.032) 9.123 3.502 ( 0.000 2.350 -0.287) 2.367 3.502 ( 0.000 2.350 0.287) 2.367 3.681 ( 0.000 -2.665 -4.232) 5.001 3.681 ( 0.000 -2.665 4.232) 5.001 4.191 ( 0.000 1.168 -0.715) 1.369 4.191 ( 0.000 1.168 0.715) 1.369 5.126 ( 0.000 7.515 -10.738) 13.106 5.126 ( 0.000 7.515 10.738) 13.106 5.305 ( 0.000 5.808 -7.295) 9.324 5.305 ( 0.000 5.808 7.295) 9.324 6.954 ( 0.000 1.440 -0.718) 1.609 6.954 ( 0.000 1.440 0.718) 1.609 7.220 ( 0.000 -0.185 -6.847) 6.850 7.220 ( 0.000 -0.185 6.847) 6.850 7.830 ( 0.000 1.290 -0.782) 1.508 7.830 ( 0.000 1.290 0.782) 1.508 8.062 ( 0.000 1.085 -1.257) 1.661 8.062 ( 0.000 1.085 1.257) 1.661 8.239 ( 0.000 7.505 -1.448) 7.643 8.239 ( 0.000 7.505 1.448) 7.643 8.553 ( 0.000 3.524 -1.713) 3.918 8.553 ( 0.000 3.524 1.713) 3.918 8.744 ( 0.000 2.888 -2.287) 3.684 8.744 ( 0.000 2.888 2.287) 3.684 8.840 ( 0.000 1.592 -0.909) 1.834 8.840 ( 0.000 1.592 0.909) 1.834 9.036 ( 0.000 -3.600 -0.326) 3.615 9.036 ( 0.000 -3.600 0.326) 3.615 9.403 ( 0.000 -1.578 -0.116) 1.583 9.403 ( 0.000 -1.578 0.116) 1.583 ======================= Grid point 326 (97/105) ======================= q-point: ( 0.12 0.38 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.019 1.925 -0.694) 2.046 1.334 ( 0.019 1.925 0.694) 2.046 1.454 ( -1.319 0.848 -1.539) 2.197 1.454 ( -1.319 0.848 1.539) 2.197 1.522 ( 1.065 2.550 -2.304) 3.597 1.522 ( 1.065 2.550 2.304) 3.597 1.756 ( -2.413 1.028 -3.797) 4.615 1.756 ( -2.413 1.028 3.797) 4.615 1.897 ( 1.959 -0.999 -6.476) 6.839 1.897 ( 1.959 -0.999 6.476) 6.839 2.085 ( -1.501 -0.318 -3.007) 3.376 2.085 ( -1.501 -0.318 3.007) 3.376 2.385 ( -5.186 1.873 -0.966) 5.598 2.385 ( -5.186 1.873 0.966) 5.598 2.595 ( -3.619 2.739 -2.328) 5.100 2.595 ( -3.619 2.739 2.328) 5.100 3.261 ( 4.301 7.459 -5.031) 9.972 3.261 ( 4.301 7.459 5.031) 9.972 3.515 ( 1.141 2.572 -0.368) 2.838 3.515 ( 1.141 2.572 0.368) 2.838 3.728 ( 4.251 -2.353 -4.626) 6.709 3.728 ( 4.251 -2.353 4.626) 6.709 4.181 ( -0.910 1.187 -0.910) 1.751 4.181 ( -0.910 1.187 0.910) 1.751 5.104 ( -2.107 7.418 -10.014) 12.639 5.104 ( -2.107 7.418 10.014) 12.639 5.286 ( -1.794 5.381 -6.832) 8.880 5.286 ( -1.794 5.381 6.832) 8.880 6.933 ( -1.999 1.309 -0.831) 2.530 6.933 ( -1.999 1.309 0.831) 2.530 7.172 ( -4.548 0.088 -5.872) 7.428 7.172 ( -4.548 0.088 5.872) 7.428 7.845 ( 1.498 1.299 -1.041) 2.240 7.845 ( 1.498 1.299 1.041) 2.240 8.035 ( -2.070 2.245 -3.752) 4.838 8.035 ( -2.070 2.245 3.752) 4.838 8.236 ( -0.522 4.864 -1.479) 5.111 8.236 ( -0.522 4.864 1.479) 5.111 8.491 ( -5.042 2.702 -2.132) 6.105 8.491 ( -5.042 2.702 2.132) 6.105 8.773 ( 1.776 3.175 -2.409) 4.363 8.773 ( 1.776 3.175 2.409) 4.363 8.850 ( 0.886 2.009 -1.273) 2.538 8.850 ( 0.886 2.009 1.273) 2.538 9.070 ( 3.161 -2.801 -0.453) 4.247 9.070 ( 3.161 -2.801 0.453) 4.247 9.400 ( -0.331 -1.679 -0.320) 1.741 9.400 ( -0.331 -1.679 0.320) 1.741 ======================= Grid point 328 (98/105) ======================= q-point: ( 0.25 0.38 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.579 1.916 -0.866) 2.181 1.327 ( -0.579 1.916 0.866) 2.181 1.438 ( -0.219 -0.894 -1.294) 1.588 1.438 ( -0.219 -0.894 1.294) 1.588 1.547 ( 1.374 1.949 -2.792) 3.672 1.547 ( 1.374 1.949 2.792) 3.672 1.694 ( -3.348 0.658 -2.176) 4.046 1.694 ( -3.348 0.658 2.176) 4.046 1.953 ( 3.306 -0.872 -5.751) 6.691 1.953 ( 3.306 -0.872 5.751) 6.691 2.039 ( -2.745 -0.570 -1.477) 3.169 2.039 ( -2.745 -0.570 1.477) 3.169 2.281 ( -4.356 1.301 -1.355) 4.744 2.281 ( -4.356 1.301 1.355) 4.744 2.486 ( -6.964 1.555 -1.680) 7.331 2.486 ( -6.964 1.555 1.680) 7.331 3.363 ( 5.219 6.769 -4.994) 9.899 3.363 ( 5.219 6.769 4.994) 9.899 3.541 ( 1.280 3.053 -1.676) 3.710 3.541 ( 1.280 3.053 1.676) 3.710 3.833 ( 5.691 -1.489 -5.009) 7.727 3.833 ( 5.691 -1.489 5.009) 7.727 4.156 ( -1.591 1.192 -1.520) 2.502 4.156 ( -1.591 1.192 1.520) 2.502 5.046 ( -3.456 7.153 -7.683) 11.052 5.046 ( -3.456 7.153 7.683) 11.052 5.239 ( -2.627 4.234 -5.245) 7.235 5.239 ( -2.627 4.234 5.245) 7.235 6.879 ( -3.080 1.173 -1.184) 3.502 6.879 ( -3.080 1.173 1.184) 3.502 7.054 ( -6.419 0.508 -3.751) 7.452 7.054 ( -6.419 0.508 3.751) 7.452 7.886 ( 2.390 1.407 -1.700) 3.253 7.886 ( 2.390 1.407 1.700) 3.253 8.001 ( -1.028 2.477 -5.171) 5.825 8.001 ( -1.028 2.477 5.171) 5.825 8.218 ( -1.090 1.347 -0.994) 1.998 8.218 ( -1.090 1.347 0.994) 1.998 8.378 ( -5.739 1.388 -1.425) 6.074 8.378 ( -5.739 1.388 1.425) 6.074 8.798 ( 0.688 3.747 -1.642) 4.149 8.798 ( 0.688 3.747 1.642) 4.149 8.871 ( 1.017 3.001 -1.761) 3.625 8.871 ( 1.017 3.001 1.761) 3.625 9.149 ( 4.190 -1.686 -1.387) 4.725 9.149 ( 4.190 -1.686 1.387) 4.725 9.389 ( -0.776 -1.930 -0.542) 2.150 9.389 ( -0.776 -1.930 0.542) 2.150 ======================= Grid point 330 (99/105) ======================= q-point: ( 0.38 0.38 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.076 0.706 -0.774) 1.050 1.319 ( -0.076 0.706 0.774) 1.050 1.436 ( -0.157 -2.451 -0.829) 2.592 1.436 ( -0.157 -2.451 0.829) 2.592 1.575 ( 1.324 1.369 -2.631) 3.248 1.575 ( 1.324 1.369 2.631) 3.248 1.633 ( -2.456 0.621 -1.299) 2.846 1.633 ( -2.456 0.621 1.299) 2.846 2.000 ( 0.039 0.036 -1.796) 1.797 2.000 ( 0.039 0.036 1.796) 1.797 2.024 ( 2.924 -0.685 -3.624) 4.706 2.024 ( 2.924 -0.685 3.624) 4.706 2.212 ( -2.759 0.290 -2.976) 4.069 2.212 ( -2.759 0.290 2.976) 4.069 2.332 ( -7.407 0.294 -1.342) 7.533 2.332 ( -7.407 0.294 1.342) 7.533 3.457 ( 3.848 5.466 -4.343) 7.972 3.457 ( 3.848 5.466 4.343) 7.972 3.558 ( 0.254 3.742 -2.617) 4.573 3.558 ( 0.254 3.742 2.617) 4.573 3.942 ( 4.761 -0.357 -4.492) 6.556 3.942 ( 4.761 -0.357 4.492) 6.556 4.117 ( -2.174 1.026 -2.325) 3.345 4.117 ( -2.174 1.026 2.325) 3.345 4.978 ( -2.820 6.808 -4.051) 8.409 4.978 ( -2.820 6.808 4.051) 8.409 5.191 ( -1.922 2.941 -2.726) 4.447 5.191 ( -1.922 2.941 2.726) 4.447 6.819 ( -2.510 1.677 -1.295) 3.285 6.819 ( -2.510 1.677 1.295) 3.285 6.941 ( -4.148 0.090 -1.967) 4.592 6.941 ( -4.148 0.090 1.967) 4.592 7.936 ( 2.375 1.591 -2.288) 3.661 7.936 ( 2.375 1.591 2.288) 3.661 7.991 ( -0.181 1.399 -4.677) 4.885 7.991 ( -0.181 1.399 4.677) 4.885 8.200 ( -0.505 -0.515 -0.617) 0.949 8.200 ( -0.505 -0.515 0.617) 0.949 8.272 ( -4.443 0.521 -0.793) 4.543 8.272 ( -4.443 0.521 0.793) 4.543 8.803 ( -0.029 4.376 -0.891) 4.466 8.803 ( -0.029 4.376 0.891) 4.466 8.888 ( 0.663 3.910 -1.240) 4.155 8.888 ( 0.663 3.910 1.240) 4.155 9.226 ( 3.175 -1.089 -1.382) 3.630 9.226 ( 3.175 -1.089 1.382) 3.630 9.369 ( -1.097 -2.237 -0.659) 2.577 9.369 ( -1.097 -2.237 0.659) 2.577 ======================= Grid point 332 (100/105) ======================= q-point: (-0.50 0.38 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -0.000 -0.235 -0.000) 0.235 1.321 ( 0.000 -0.235 0.000) 0.235 1.432 ( 0.000 -2.860 -0.000) 2.860 1.432 ( 0.000 -2.860 0.000) 2.860 1.597 ( 0.000 1.252 -0.000) 1.252 1.597 ( 0.000 1.252 0.000) 1.252 1.600 ( -0.000 0.686 -0.000) 0.686 1.600 ( -0.000 0.686 0.000) 0.686 2.016 ( -0.000 0.089 -0.000) 0.089 2.016 ( -0.000 0.089 0.000) 0.089 2.060 ( 0.000 -0.024 -0.000) 0.024 2.060 ( 0.000 -0.024 0.000) 0.024 2.174 ( 0.000 -0.356 -0.000) 0.356 2.174 ( 0.000 -0.356 0.000) 0.356 2.242 ( -0.000 -0.474 -0.000) 0.474 2.242 ( -0.000 -0.474 0.000) 0.474 3.503 ( 0.000 4.273 -0.000) 4.273 3.503 ( 0.000 4.273 0.000) 4.273 3.556 ( -0.000 4.581 -0.000) 4.581 3.556 ( -0.000 4.581 0.000) 4.581 4.003 ( 0.000 0.478 -0.000) 0.478 4.003 ( 0.000 0.478 0.000) 0.478 4.083 ( -0.000 0.628 -0.000) 0.628 4.083 ( -0.000 0.628 0.000) 0.628 4.947 ( 0.000 6.632 -0.000) 6.632 4.947 ( 0.000 6.632 0.000) 6.632 5.170 ( 0.000 2.367 -0.000) 2.367 5.170 ( 0.000 2.367 0.000) 2.367 6.791 ( 0.000 2.223 -0.000) 2.223 6.791 ( 0.000 2.223 0.000) 2.223 6.899 ( 0.000 -0.484 -0.000) 0.484 6.899 ( 0.000 -0.484 0.000) 0.484 7.968 ( -0.000 2.154 -0.000) 2.154 7.968 ( -0.000 2.154 0.000) 2.154 7.987 ( 0.000 0.238 -0.000) 0.238 7.987 ( 0.000 0.238 0.000) 0.238 8.201 ( 0.000 -1.047 -0.000) 1.047 8.201 ( 0.000 -1.047 0.000) 1.047 8.216 ( -0.000 0.340 -0.000) 0.340 8.216 ( -0.000 0.340 0.000) 0.340 8.802 ( 0.000 4.672 -0.000) 4.672 8.802 ( 0.000 4.672 0.000) 4.672 8.895 ( -0.000 4.230 -0.000) 4.230 8.895 ( -0.000 4.230 0.000) 4.230 9.263 ( -0.000 -0.764 -0.000) 0.764 9.263 ( -0.000 -0.764 0.000) 0.764 9.354 ( 0.000 -2.521 0.000) 2.521 9.354 ( 0.000 -2.521 0.000) 2.521 ======================= Grid point 342 (101/105) ======================= q-point: ( 0.00 0.46 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 0.099 -0.482) 0.492 1.347 ( 0.000 0.099 0.482) 0.492 1.451 ( 0.000 -0.767 -1.230) 1.449 1.451 ( 0.000 -0.767 1.230) 1.449 1.588 ( 0.000 2.332 -0.075) 2.333 1.588 ( 0.000 2.332 0.075) 2.333 1.803 ( 0.000 1.481 -5.360) 5.561 1.803 ( 0.000 1.481 5.360) 5.561 1.843 ( 0.000 -2.264 -6.671) 7.045 1.843 ( 0.000 -2.264 6.671) 7.045 2.089 ( 0.000 -0.556 -1.504) 1.604 2.089 ( 0.000 -0.556 1.504) 1.604 2.470 ( 0.000 0.517 -0.300) 0.597 2.470 ( 0.000 0.517 0.300) 0.597 2.678 ( 0.000 1.297 -0.891) 1.573 2.678 ( 0.000 1.297 0.891) 1.573 3.331 ( 0.000 3.696 -3.232) 4.909 3.331 ( 0.000 3.696 3.232) 4.909 3.534 ( 0.000 0.659 -1.400) 1.547 3.534 ( 0.000 0.659 1.400) 1.547 3.642 ( 0.000 -1.127 -4.149) 4.299 3.642 ( 0.000 -1.127 4.149) 4.299 4.210 ( 0.000 0.591 -0.303) 0.665 4.210 ( 0.000 0.591 0.303) 0.665 5.243 ( 0.000 3.449 -4.234) 5.461 5.243 ( 0.000 3.449 4.234) 5.461 5.390 ( 0.000 2.353 -2.589) 3.499 5.390 ( 0.000 2.353 2.589) 3.499 6.978 ( 0.000 0.812 -0.524) 0.966 6.978 ( 0.000 0.812 0.524) 0.966 7.218 ( 0.000 -0.074 -3.002) 3.003 7.218 ( 0.000 -0.074 3.002) 3.003 7.848 ( 0.000 0.495 -0.381) 0.625 7.848 ( 0.000 0.495 0.381) 0.625 8.064 ( 0.000 -0.290 -0.408) 0.500 8.064 ( 0.000 -0.290 0.408) 0.500 8.345 ( 0.000 2.840 -0.485) 2.881 8.345 ( 0.000 2.840 0.485) 2.881 8.598 ( 0.000 1.108 -0.421) 1.185 8.598 ( 0.000 1.108 0.421) 1.185 8.807 ( 0.000 3.097 -1.131) 3.297 8.807 ( 0.000 3.097 1.131) 3.297 8.853 ( 0.000 -0.777 -0.587) 0.974 8.853 ( 0.000 -0.777 0.587) 0.974 8.978 ( 0.000 -1.777 -0.765) 1.935 8.978 ( 0.000 -1.777 0.765) 1.935 9.384 ( 0.000 -0.470 -0.055) 0.473 9.384 ( 0.000 -0.470 0.055) 0.473 ======================= Grid point 344 (102/105) ======================= q-point: ( 0.12 0.46 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.309 0.193 -0.454) 0.582 1.351 ( 0.309 0.193 0.454) 0.582 1.440 ( -1.120 -0.700 -1.304) 1.856 1.440 ( -1.120 -0.700 1.304) 1.856 1.582 ( -0.353 1.957 -0.530) 2.058 1.582 ( -0.353 1.957 0.530) 2.058 1.782 ( -2.528 1.472 -3.784) 4.783 1.782 ( -2.528 1.472 3.784) 4.783 1.857 ( 1.913 -2.265 -5.296) 6.070 1.857 ( 1.913 -2.265 5.296) 6.070 2.071 ( -1.755 -0.648 -1.454) 2.369 2.071 ( -1.755 -0.648 1.454) 2.369 2.407 ( -5.371 0.495 -0.280) 5.401 2.407 ( -5.371 0.495 0.280) 5.401 2.634 ( -4.287 1.086 -0.748) 4.485 2.634 ( -4.287 1.086 0.748) 4.485 3.375 ( 3.809 3.464 -3.068) 5.994 3.375 ( 3.809 3.464 3.068) 5.994 3.549 ( 1.278 0.672 -1.356) 1.981 3.549 ( 1.278 0.672 1.356) 1.981 3.695 ( 4.937 -0.837 -3.837) 6.309 3.695 ( 4.937 -0.837 3.837) 6.309 4.200 ( -0.910 0.586 -0.394) 1.152 4.200 ( -0.910 0.586 0.394) 1.152 5.223 ( -1.945 3.597 -4.184) 5.850 5.223 ( -1.945 3.597 4.184) 5.850 5.363 ( -2.614 2.040 -2.701) 4.276 5.363 ( -2.614 2.040 2.701) 4.276 6.954 ( -2.258 0.692 -0.552) 2.425 6.954 ( -2.258 0.692 0.552) 2.425 7.173 ( -4.252 0.009 -2.579) 4.974 7.173 ( -4.252 0.009 2.579) 4.974 7.863 ( 1.450 0.468 -0.407) 1.577 7.863 ( 1.450 0.468 0.407) 1.577 8.050 ( -1.225 -0.057 -1.079) 1.633 8.050 ( -1.225 -0.057 1.079) 1.633 8.313 ( -2.827 2.381 -0.211) 3.701 8.313 ( -2.827 2.381 0.211) 3.701 8.519 ( -6.305 0.410 -0.893) 6.381 8.519 ( -6.305 0.410 0.893) 6.381 8.832 ( 1.689 2.402 -1.099) 3.135 8.832 ( 1.689 2.402 1.099) 3.135 8.874 ( 1.593 0.127 -0.613) 1.712 8.874 ( 1.593 0.127 0.613) 1.712 9.027 ( 4.358 -1.279 -0.215) 4.547 9.027 ( 4.358 -1.279 0.215) 4.547 9.378 ( -0.516 -0.538 -0.102) 0.753 9.378 ( -0.516 -0.538 0.102) 0.753 ======================= Grid point 346 (103/105) ======================= q-point: ( 0.25 0.46 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.191 0.865 -0.789) 1.187 1.354 ( -0.191 0.865 0.789) 1.187 1.408 ( -1.695 -1.319 -1.300) 2.510 1.408 ( -1.695 -1.319 1.300) 2.510 1.582 ( 0.404 1.149 -1.089) 1.634 1.582 ( 0.404 1.149 1.089) 1.634 1.713 ( -3.760 0.885 -1.809) 4.265 1.713 ( -3.760 0.885 1.809) 4.265 1.914 ( 3.405 -1.842 -3.704) 5.358 1.914 ( 3.405 -1.842 3.704) 5.358 2.027 ( -2.207 -0.480 -1.089) 2.507 2.027 ( -2.207 -0.480 1.089) 2.507 2.294 ( -5.061 0.217 -0.494) 5.089 2.294 ( -5.061 0.217 0.494) 5.089 2.510 ( -7.771 0.705 -0.542) 7.821 2.510 ( -7.771 0.705 0.542) 7.821 3.462 ( 4.325 2.909 -2.707) 5.873 3.462 ( 4.325 2.909 2.707) 5.873 3.578 ( 1.442 0.662 -1.435) 2.139 3.578 ( 1.442 0.662 1.435) 2.139 3.819 ( 6.745 -0.142 -3.223) 7.477 3.819 ( 6.745 -0.142 3.223) 7.477 4.174 ( -1.673 0.549 -0.694) 1.893 4.174 ( -1.673 0.549 0.694) 1.893 5.170 ( -3.045 4.218 -3.874) 6.486 5.170 ( -3.045 4.218 3.874) 6.486 5.292 ( -4.155 0.951 -2.804) 5.102 5.292 ( -4.155 0.951 2.804) 5.102 6.897 ( -3.064 0.535 -0.673) 3.183 6.897 ( -3.064 0.535 0.673) 3.183 7.060 ( -6.454 0.081 -1.709) 6.677 7.060 ( -6.454 0.081 1.709) 6.677 7.903 ( 2.341 0.397 -0.583) 2.445 7.903 ( 2.341 0.397 0.583) 2.445 8.025 ( -1.052 0.243 -1.762) 2.066 8.025 ( -1.052 0.243 1.762) 2.066 8.249 ( -3.095 1.366 -0.198) 3.389 8.249 ( -3.095 1.366 0.198) 3.389 8.384 ( -6.475 -0.296 -0.567) 6.506 8.384 ( -6.475 -0.296 0.567) 6.506 8.863 ( 1.279 2.484 -0.753) 2.894 8.863 ( 1.279 2.484 0.753) 2.894 8.903 ( 1.255 0.201 -0.629) 1.419 8.903 ( 1.255 0.201 0.629) 1.419 9.127 ( 5.006 -0.495 -0.507) 5.056 9.127 ( 5.006 -0.495 0.507) 5.056 9.362 ( -1.074 -0.717 -0.180) 1.304 9.362 ( -1.074 -0.717 0.180) 1.304 ======================= Grid point 348 (104/105) ======================= q-point: ( 0.38 0.46 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.893 1.559 -0.860) 1.992 1.340 ( -0.893 1.559 0.860) 1.992 1.383 ( -0.842 -2.638 -0.640) 2.842 1.383 ( -0.842 -2.638 0.640) 2.842 1.595 ( 0.778 0.599 -1.271) 1.606 1.595 ( 0.778 0.599 1.271) 1.606 1.647 ( -2.439 0.575 -1.153) 2.759 1.647 ( -2.439 0.575 1.153) 2.759 1.982 ( 2.755 -1.201 -2.688) 4.032 1.982 ( 2.755 -1.201 2.688) 4.032 2.005 ( 0.660 -0.560 -0.755) 1.149 2.005 ( 0.660 -0.560 0.755) 1.149 2.214 ( -2.794 -0.012 -1.071) 2.992 2.214 ( -2.794 -0.012 1.071) 2.992 2.339 ( -8.404 0.253 -0.530) 8.424 2.339 ( -8.404 0.253 0.530) 8.424 3.538 ( 2.990 2.455 -2.203) 4.452 3.538 ( 2.990 2.455 2.203) 4.452 3.599 ( 0.497 0.563 -1.554) 1.726 3.599 ( 0.497 0.563 1.554) 1.726 3.951 ( 5.919 0.654 -2.532) 6.471 3.951 ( 5.919 0.654 2.532) 6.471 4.131 ( -2.644 0.338 -1.186) 2.917 4.131 ( -2.644 0.338 1.186) 2.917 5.112 ( -2.381 5.539 -2.684) 6.599 5.112 ( -2.381 5.539 2.684) 6.599 5.211 ( -3.294 -0.941 -2.136) 4.038 5.211 ( -3.294 -0.941 2.136) 4.038 6.846 ( -1.605 0.869 -0.877) 2.025 6.846 ( -1.605 0.869 0.877) 2.025 6.936 ( -5.161 -0.373 -1.164) 5.304 6.936 ( -5.161 -0.373 1.164) 5.304 7.952 ( 2.319 0.282 -0.933) 2.516 7.952 ( 2.319 0.282 0.933) 2.516 8.008 ( -0.703 0.268 -1.894) 2.038 8.008 ( -0.703 0.268 1.894) 2.038 8.201 ( -1.372 0.460 -0.223) 1.464 8.201 ( -1.372 0.460 0.223) 1.464 8.270 ( -4.597 -0.390 -0.324) 4.625 8.270 ( -4.597 -0.390 0.324) 4.625 8.882 ( 0.523 3.218 -0.438) 3.290 8.882 ( 0.523 3.218 0.438) 3.290 8.923 ( 0.704 -0.307 -0.459) 0.895 8.923 ( 0.704 -0.307 0.459) 0.895 9.218 ( 3.815 0.054 -0.582) 3.859 9.218 ( 3.815 0.054 0.582) 3.859 9.335 ( -1.611 -1.050 -0.284) 1.944 9.335 ( -1.611 -1.050 0.284) 1.944 ======================= Grid point 350 (105/105) ======================= q-point: (-0.50 0.46 -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 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 1.331 -0.000) 1.331 1.330 ( 0.000 1.331 0.000) 1.331 1.373 ( 0.000 -2.827 -0.000) 2.827 1.373 ( 0.000 -2.827 0.000) 2.827 1.613 ( 0.000 0.488 -0.000) 0.488 1.613 ( 0.000 0.488 0.000) 0.488 1.614 ( -0.000 0.451 -0.000) 0.451 1.614 ( -0.000 0.451 0.000) 0.451 2.012 ( -0.000 -0.013 -0.000) 0.013 2.012 ( -0.000 -0.013 0.000) 0.013 2.030 ( 0.000 -1.806 -0.000) 1.806 2.030 ( 0.000 -1.806 0.000) 1.806 2.193 ( 0.000 1.581 -0.000) 1.581 2.193 ( 0.000 1.581 0.000) 1.581 2.223 ( -0.000 -1.365 -0.000) 1.365 2.223 ( -0.000 -1.365 0.000) 1.365 3.573 ( 0.000 2.656 -0.000) 2.656 3.573 ( 0.000 2.656 0.000) 2.656 3.600 ( -0.000 0.142 -0.000) 0.142 3.600 ( -0.000 0.142 0.000) 0.142 4.038 ( 0.000 2.440 -0.000) 2.440 4.038 ( 0.000 2.440 0.000) 2.440 4.078 ( -0.000 -1.223 -0.000) 1.223 4.078 ( 0.000 -1.223 0.000) 1.223 5.086 ( 0.000 6.480 -0.000) 6.480 5.086 ( 0.000 6.480 0.000) 6.480 5.175 ( 0.000 -2.152 -0.000) 2.152 5.175 ( 0.000 -2.152 0.000) 2.152 6.835 ( 0.000 2.179 -0.000) 2.179 6.835 ( 0.000 2.179 0.000) 2.179 6.875 ( -0.000 -1.749 -0.000) 1.749 6.875 ( -0.000 -1.749 0.000) 1.749 7.990 ( -0.001 0.100 -0.002) 0.100 7.990 ( -0.001 0.100 0.002) 0.100 7.990 ( 0.001 0.289 -0.002) 0.289 7.990 ( 0.001 0.289 0.002) 0.289 8.196 ( 0.000 0.541 -0.000) 0.541 8.196 ( 0.000 0.541 0.000) 0.541 8.212 ( -0.000 -0.699 -0.000) 0.699 8.212 ( -0.000 -0.699 0.000) 0.699 8.886 ( 0.000 3.566 -0.000) 3.566 8.886 ( 0.000 3.566 0.000) 3.566 8.931 ( -0.000 -0.546 -0.000) 0.546 8.931 ( -0.000 -0.546 0.000) 0.546 9.269 ( 0.000 1.308 -0.000) 1.308 9.269 ( -0.000 1.308 0.000) 1.308 9.306 ( 0.000 -2.260 -0.000) 2.260 9.306 ( 0.000 -2.260 0.000) 2.260 =================== 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 3/19968 10.0 181.641 271.762 160.839 0.000 0.000 0.000 3/19968 20.0 50.018 93.747 41.409 0.000 0.000 0.000 3/19968 30.0 26.551 50.317 22.128 0.000 0.000 0.000 3/19968 40.0 17.477 32.398 14.348 0.000 0.000 0.000 3/19968 50.0 12.839 23.314 10.407 0.000 0.000 0.000 3/19968 60.0 10.069 18.000 8.097 0.000 0.000 0.000 3/19968 70.0 8.246 14.572 6.601 0.000 0.000 0.000 3/19968 80.0 6.967 12.204 5.562 0.000 0.000 0.000 3/19968 90.0 6.025 10.484 4.801 0.000 0.000 0.000 3/19968 100.0 5.306 9.184 4.223 0.000 0.000 0.000 3/19968 110.0 4.740 8.170 3.769 0.000 0.000 0.000 3/19968 120.0 4.284 7.359 3.404 0.000 0.000 0.000 3/19968 130.0 3.910 6.697 3.104 0.000 0.000 0.000 3/19968 140.0 3.596 6.146 2.854 0.000 0.000 0.000 3/19968 150.0 3.330 5.680 2.641 0.000 0.000 0.000 3/19968 160.0 3.101 5.281 2.459 0.000 0.000 0.000 3/19968 170.0 2.903 4.936 2.300 0.000 0.000 0.000 3/19968 180.0 2.728 4.634 2.162 0.000 0.000 0.000 3/19968 190.0 2.574 4.368 2.039 0.000 0.000 0.000 3/19968 200.0 2.437 4.132 1.930 0.000 0.000 0.000 3/19968 210.0 2.314 3.920 1.832 0.000 0.000 0.000 3/19968 220.0 2.203 3.730 1.743 0.000 0.000 0.000 3/19968 230.0 2.102 3.557 1.663 0.000 0.000 0.000 3/19968 240.0 2.011 3.400 1.591 0.000 0.000 0.000 3/19968 250.0 1.927 3.257 1.524 0.000 0.000 0.000 3/19968 260.0 1.850 3.125 1.463 0.000 0.000 0.000 3/19968 270.0 1.779 3.004 1.406 0.000 0.000 0.000 3/19968 280.0 1.713 2.892 1.354 0.000 0.000 0.000 3/19968 290.0 1.652 2.788 1.306 0.000 0.000 0.000 3/19968 300.0 1.596 2.692 1.261 0.000 0.000 0.000 3/19968 310.0 1.543 2.602 1.219 0.000 0.000 0.000 3/19968 320.0 1.493 2.518 1.180 0.000 0.000 0.000 3/19968 330.0 1.447 2.439 1.143 0.000 0.000 0.000 3/19968 340.0 1.403 2.365 1.109 0.000 0.000 0.000 3/19968 350.0 1.362 2.296 1.076 0.000 0.000 0.000 3/19968 360.0 1.324 2.230 1.046 0.000 0.000 0.000 3/19968 370.0 1.287 2.169 1.017 0.000 0.000 0.000 3/19968 380.0 1.253 2.110 0.989 0.000 0.000 0.000 3/19968 390.0 1.220 2.055 0.963 0.000 0.000 0.000 3/19968 400.0 1.189 2.002 0.939 0.000 0.000 0.000 3/19968 410.0 1.160 1.953 0.916 0.000 0.000 0.000 3/19968 420.0 1.132 1.905 0.893 0.000 0.000 0.000 3/19968 430.0 1.105 1.860 0.872 0.000 0.000 0.000 3/19968 440.0 1.080 1.817 0.852 0.000 0.000 0.000 3/19968 450.0 1.055 1.776 0.833 0.000 0.000 0.000 3/19968 460.0 1.032 1.737 0.815 0.000 0.000 0.000 3/19968 470.0 1.010 1.699 0.797 0.000 0.000 0.000 3/19968 480.0 0.989 1.664 0.780 0.000 0.000 0.000 3/19968 490.0 0.968 1.629 0.764 0.000 0.000 0.000 3/19968 500.0 0.949 1.596 0.749 0.000 0.000 0.000 3/19968 510.0 0.930 1.564 0.734 0.000 0.000 0.000 3/19968 520.0 0.912 1.534 0.720 0.000 0.000 0.000 3/19968 530.0 0.895 1.505 0.706 0.000 0.000 0.000 3/19968 540.0 0.878 1.477 0.693 0.000 0.000 0.000 3/19968 550.0 0.862 1.449 0.680 0.000 0.000 0.000 3/19968 560.0 0.846 1.423 0.668 0.000 0.000 0.000 3/19968 570.0 0.831 1.398 0.656 0.000 0.000 0.000 3/19968 580.0 0.817 1.374 0.645 0.000 0.000 0.000 3/19968 590.0 0.803 1.350 0.634 0.000 0.000 0.000 3/19968 600.0 0.790 1.327 0.623 0.000 0.000 0.000 3/19968 610.0 0.777 1.306 0.613 0.000 0.000 0.000 3/19968 620.0 0.764 1.284 0.603 0.000 0.000 0.000 3/19968 630.0 0.752 1.264 0.593 0.000 0.000 0.000 3/19968 640.0 0.740 1.244 0.584 0.000 0.000 0.000 3/19968 650.0 0.729 1.225 0.575 0.000 0.000 0.000 3/19968 660.0 0.717 1.206 0.566 0.000 0.000 0.000 3/19968 670.0 0.707 1.188 0.557 0.000 0.000 0.000 3/19968 680.0 0.696 1.170 0.549 0.000 0.000 0.000 3/19968 690.0 0.686 1.153 0.541 0.000 0.000 0.000 3/19968 700.0 0.676 1.137 0.533 0.000 0.000 0.000 3/19968 710.0 0.667 1.120 0.526 0.000 0.000 0.000 3/19968 720.0 0.657 1.105 0.518 0.000 0.000 0.000 3/19968 730.0 0.648 1.090 0.511 0.000 0.000 0.000 3/19968 740.0 0.640 1.075 0.504 0.000 0.000 0.000 3/19968 750.0 0.631 1.060 0.498 0.000 0.000 0.000 3/19968 760.0 0.623 1.046 0.491 0.000 0.000 0.000 3/19968 770.0 0.615 1.033 0.485 0.000 0.000 0.000 3/19968 780.0 0.607 1.019 0.478 0.000 0.000 0.000 3/19968 790.0 0.599 1.006 0.472 0.000 0.000 0.000 3/19968 800.0 0.591 0.994 0.466 0.000 0.000 0.000 3/19968 810.0 0.584 0.981 0.461 0.000 0.000 0.000 3/19968 820.0 0.577 0.969 0.455 0.000 0.000 0.000 3/19968 830.0 0.570 0.958 0.449 0.000 0.000 0.000 3/19968 840.0 0.563 0.946 0.444 0.000 0.000 0.000 3/19968 850.0 0.557 0.935 0.439 0.000 0.000 0.000 3/19968 860.0 0.550 0.924 0.434 0.000 0.000 0.000 3/19968 870.0 0.544 0.914 0.429 0.000 0.000 0.000 3/19968 880.0 0.538 0.903 0.424 0.000 0.000 0.000 3/19968 890.0 0.532 0.893 0.419 0.000 0.000 0.000 3/19968 900.0 0.526 0.883 0.414 0.000 0.000 0.000 3/19968 910.0 0.520 0.873 0.410 0.000 0.000 0.000 3/19968 920.0 0.514 0.864 0.405 0.000 0.000 0.000 3/19968 930.0 0.509 0.854 0.401 0.000 0.000 0.000 3/19968 940.0 0.503 0.845 0.397 0.000 0.000 0.000 3/19968 950.0 0.498 0.836 0.393 0.000 0.000 0.000 3/19968 960.0 0.493 0.828 0.388 0.000 0.000 0.000 3/19968 970.0 0.488 0.819 0.384 0.000 0.000 0.000 3/19968 980.0 0.483 0.811 0.380 0.000 0.000 0.000 3/19968 990.0 0.478 0.802 0.377 0.000 0.000 0.000 3/19968 1000.0 0.473 0.794 0.373 0.000 0.000 0.000 3/19968 Thermal conductivity related properties were written into "kappa-m8134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:16:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|