----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:34:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.009855570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670917750000000 Atomic positions (fractional): *1 O 0.67480205827368 0.25000000000000 0.50000000000000 15.999 2 O 0.32519794172632 0.75000000000000 0.00000000000000 15.999 3 O 0.32519794172632 0.75000000000000 0.50000000000000 15.999 4 O 0.67480205827368 0.25000000000000 0.00000000000000 15.999 *5 O 0.24301652843913 0.07927187398680 0.49529067633511 15.999 6 O 0.24301652843913 0.42072812601320 0.50470932366489 15.999 7 O 0.75698347156087 0.92072812601320 0.99529067633511 15.999 8 O 0.75698347156087 0.57927187398680 0.00470932366489 15.999 9 O 0.24301652843913 0.42072812601320 0.99529067633511 15.999 10 O 0.24301652843913 0.07927187398680 0.00470932366489 15.999 11 O 0.75698347156087 0.57927187398680 0.49529067633511 15.999 12 O 0.75698347156087 0.92072812601320 0.50470932366489 15.999 *13 La 0.76410207449968 0.08113700806339 0.75000000000000 138.905 14 La 0.76410207449968 0.41886299193661 0.25000000000000 138.905 15 La 0.23589792550032 0.91886299193661 0.25000000000000 138.905 16 La 0.23589792550032 0.58113700806339 0.75000000000000 138.905 *17 Au 0.56939455883369 0.82959906168153 0.75000000000000 196.967 18 Au 0.56939455883369 0.67040093831847 0.25000000000000 196.967 19 Au 0.43060544116631 0.17040093831847 0.25000000000000 196.967 20 Au 0.43060544116631 0.32959906168153 0.75000000000000 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.009855570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670917750000000 Atomic positions (fractional): *1 O 0.67480205827368 0.25000000000000 0.50000000000000 15.999 > 1 2 O 0.32519794172632 0.75000000000000 0.00000000000000 15.999 > 2 3 O 0.32519794172632 0.75000000000000 0.50000000000000 15.999 > 3 4 O 0.67480205827368 0.25000000000000 0.00000000000000 15.999 > 4 *5 O 0.24301652843913 0.07927187398680 0.49529067633511 15.999 > 5 6 O 0.24301652843913 0.42072812601320 0.50470932366489 15.999 > 6 7 O 0.75698347156087 0.92072812601320 0.99529067633511 15.999 > 7 8 O 0.75698347156087 0.57927187398680 0.00470932366489 15.999 > 8 9 O 0.24301652843913 0.42072812601320 0.99529067633511 15.999 > 9 10 O 0.24301652843913 0.07927187398680 0.00470932366489 15.999 > 10 11 O 0.75698347156087 0.57927187398680 0.49529067633511 15.999 > 11 12 O 0.75698347156087 0.92072812601320 0.50470932366489 15.999 > 12 *13 La 0.76410207449968 0.08113700806339 0.75000000000000 138.905 > 13 14 La 0.76410207449968 0.41886299193661 0.25000000000000 138.905 > 14 15 La 0.23589792550032 0.91886299193661 0.25000000000000 138.905 > 15 16 La 0.23589792550032 0.58113700806339 0.75000000000000 138.905 > 16 *17 Au 0.56939455883369 0.82959906168153 0.75000000000000 196.967 > 17 18 Au 0.56939455883369 0.67040093831847 0.25000000000000 196.967 > 18 19 Au 0.43060544116631 0.17040093831847 0.25000000000000 196.967 > 19 20 Au 0.43060544116631 0.32959906168153 0.75000000000000 196.967 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.029566710000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.341835500000000 Atomic positions (fractional): *1 O 0.22493401942456 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.55826735275789 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.89160068609123 0.25000000000000 0.25000000000000 15.999 > 1 4 O 0.22493401942456 0.25000000000000 0.75000000000000 15.999 > 1 5 O 0.55826735275789 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.89160068609123 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.10839931390877 0.75000000000000 0.00000000000000 15.999 > 2 8 O 0.44173264724211 0.75000000000000 0.00000000000000 15.999 > 2 9 O 0.77506598057544 0.75000000000000 0.00000000000000 15.999 > 2 10 O 0.10839931390877 0.75000000000000 0.50000000000000 15.999 > 2 11 O 0.44173264724211 0.75000000000000 0.50000000000000 15.999 > 2 12 O 0.77506598057544 0.75000000000000 0.50000000000000 15.999 > 2 13 O 0.10839931390877 0.75000000000000 0.25000000000000 15.999 > 3 14 O 0.44173264724211 0.75000000000000 0.25000000000000 15.999 > 3 15 O 0.77506598057544 0.75000000000000 0.25000000000000 15.999 > 3 16 O 0.10839931390877 0.75000000000000 0.75000000000000 15.999 > 3 17 O 0.44173264724211 0.75000000000000 0.75000000000000 15.999 > 3 18 O 0.77506598057544 0.75000000000000 0.75000000000000 15.999 > 3 19 O 0.22493401942456 0.25000000000000 0.00000000000000 15.999 > 4 20 O 0.55826735275789 0.25000000000000 0.00000000000000 15.999 > 4 21 O 0.89160068609123 0.25000000000000 0.00000000000000 15.999 > 4 22 O 0.22493401942456 0.25000000000000 0.50000000000000 15.999 > 4 23 O 0.55826735275789 0.25000000000000 0.50000000000000 15.999 > 4 24 O 0.89160068609123 0.25000000000000 0.50000000000000 15.999 > 4 *25 O 0.08100550947971 0.07927187398680 0.24764533816755 15.999 > 5 26 O 0.41433884281304 0.07927187398680 0.24764533816755 15.999 > 5 27 O 0.74767217614638 0.07927187398680 0.24764533816755 15.999 > 5 28 O 0.08100550947971 0.07927187398680 0.74764533816755 15.999 > 5 29 O 0.41433884281304 0.07927187398680 0.74764533816755 15.999 > 5 30 O 0.74767217614638 0.07927187398680 0.74764533816755 15.999 > 5 31 O 0.08100550947971 0.42072812601320 0.25235466183245 15.999 > 6 32 O 0.41433884281304 0.42072812601320 0.25235466183245 15.999 > 6 33 O 0.74767217614638 0.42072812601320 0.25235466183245 15.999 > 6 34 O 0.08100550947971 0.42072812601320 0.75235466183245 15.999 > 6 35 O 0.41433884281304 0.42072812601320 0.75235466183245 15.999 > 6 36 O 0.74767217614638 0.42072812601320 0.75235466183245 15.999 > 6 37 O 0.25232782385362 0.92072812601320 0.49764533816755 15.999 > 7 38 O 0.58566115718696 0.92072812601320 0.49764533816755 15.999 > 7 39 O 0.91899449052029 0.92072812601320 0.49764533816755 15.999 > 7 40 O 0.25232782385362 0.92072812601320 0.99764533816755 15.999 > 7 41 O 0.58566115718696 0.92072812601320 0.99764533816755 15.999 > 7 42 O 0.91899449052029 0.92072812601320 0.99764533816755 15.999 > 7 43 O 0.25232782385362 0.57927187398680 0.00235466183245 15.999 > 8 44 O 0.58566115718696 0.57927187398680 0.00235466183245 15.999 > 8 45 O 0.91899449052029 0.57927187398680 0.00235466183245 15.999 > 8 46 O 0.25232782385362 0.57927187398680 0.50235466183245 15.999 > 8 47 O 0.58566115718696 0.57927187398680 0.50235466183245 15.999 > 8 48 O 0.91899449052029 0.57927187398680 0.50235466183245 15.999 > 8 49 O 0.08100550947971 0.42072812601320 0.49764533816755 15.999 > 9 50 O 0.41433884281304 0.42072812601320 0.49764533816755 15.999 > 9 51 O 0.74767217614638 0.42072812601320 0.49764533816755 15.999 > 9 52 O 0.08100550947971 0.42072812601320 0.99764533816755 15.999 > 9 53 O 0.41433884281304 0.42072812601320 0.99764533816755 15.999 > 9 54 O 0.74767217614638 0.42072812601320 0.99764533816755 15.999 > 9 55 O 0.08100550947971 0.07927187398680 0.00235466183245 15.999 > 10 56 O 0.41433884281304 0.07927187398680 0.00235466183245 15.999 > 10 57 O 0.74767217614638 0.07927187398680 0.00235466183245 15.999 > 10 58 O 0.08100550947971 0.07927187398680 0.50235466183245 15.999 > 10 59 O 0.41433884281304 0.07927187398680 0.50235466183245 15.999 > 10 60 O 0.74767217614638 0.07927187398680 0.50235466183245 15.999 > 10 61 O 0.25232782385362 0.57927187398680 0.24764533816755 15.999 > 11 62 O 0.58566115718696 0.57927187398680 0.24764533816755 15.999 > 11 63 O 0.91899449052029 0.57927187398680 0.24764533816755 15.999 > 11 64 O 0.25232782385362 0.57927187398680 0.74764533816755 15.999 > 11 65 O 0.58566115718696 0.57927187398680 0.74764533816755 15.999 > 11 66 O 0.91899449052029 0.57927187398680 0.74764533816755 15.999 > 11 67 O 0.25232782385362 0.92072812601320 0.25235466183245 15.999 > 12 68 O 0.58566115718696 0.92072812601320 0.25235466183245 15.999 > 12 69 O 0.91899449052029 0.92072812601320 0.25235466183245 15.999 > 12 70 O 0.25232782385362 0.92072812601320 0.75235466183245 15.999 > 12 71 O 0.58566115718696 0.92072812601320 0.75235466183245 15.999 > 12 72 O 0.91899449052029 0.92072812601320 0.75235466183245 15.999 > 12 *73 La 0.25470069149989 0.08113700806339 0.37500000000000 138.905 > 13 74 La 0.58803402483323 0.08113700806339 0.37500000000000 138.905 > 13 75 La 0.92136735816656 0.08113700806339 0.37500000000000 138.905 > 13 76 La 0.25470069149989 0.08113700806339 0.87500000000000 138.905 > 13 77 La 0.58803402483323 0.08113700806339 0.87500000000000 138.905 > 13 78 La 0.92136735816656 0.08113700806339 0.87500000000000 138.905 > 13 79 La 0.25470069149989 0.41886299193661 0.12500000000000 138.905 > 14 80 La 0.58803402483323 0.41886299193661 0.12500000000000 138.905 > 14 81 La 0.92136735816656 0.41886299193661 0.12500000000000 138.905 > 14 82 La 0.25470069149989 0.41886299193661 0.62500000000000 138.905 > 14 83 La 0.58803402483323 0.41886299193661 0.62500000000000 138.905 > 14 84 La 0.92136735816656 0.41886299193661 0.62500000000000 138.905 > 14 85 La 0.07863264183344 0.91886299193661 0.12500000000000 138.905 > 15 86 La 0.41196597516677 0.91886299193661 0.12500000000000 138.905 > 15 87 La 0.74529930850011 0.91886299193661 0.12500000000000 138.905 > 15 88 La 0.07863264183344 0.91886299193661 0.62500000000000 138.905 > 15 89 La 0.41196597516677 0.91886299193661 0.62500000000000 138.905 > 15 90 La 0.74529930850011 0.91886299193661 0.62500000000000 138.905 > 15 91 La 0.07863264183344 0.58113700806339 0.37500000000000 138.905 > 16 92 La 0.41196597516677 0.58113700806339 0.37500000000000 138.905 > 16 93 La 0.74529930850011 0.58113700806339 0.37500000000000 138.905 > 16 94 La 0.07863264183344 0.58113700806339 0.87500000000000 138.905 > 16 95 La 0.41196597516677 0.58113700806339 0.87500000000000 138.905 > 16 96 La 0.74529930850011 0.58113700806339 0.87500000000000 138.905 > 16 *97 Au 0.18979818627790 0.82959906168153 0.37500000000000 196.967 > 17 98 Au 0.52313151961123 0.82959906168153 0.37500000000000 196.967 > 17 99 Au 0.85646485294456 0.82959906168153 0.37500000000000 196.967 > 17 100 Au 0.18979818627790 0.82959906168153 0.87500000000000 196.967 > 17 101 Au 0.52313151961123 0.82959906168153 0.87500000000000 196.967 > 17 102 Au 0.85646485294456 0.82959906168153 0.87500000000000 196.967 > 17 103 Au 0.18979818627790 0.67040093831847 0.12500000000000 196.967 > 18 104 Au 0.52313151961123 0.67040093831847 0.12500000000000 196.967 > 18 105 Au 0.85646485294456 0.67040093831847 0.12500000000000 196.967 > 18 106 Au 0.18979818627790 0.67040093831847 0.62500000000000 196.967 > 18 107 Au 0.52313151961123 0.67040093831847 0.62500000000000 196.967 > 18 108 Au 0.85646485294456 0.67040093831847 0.62500000000000 196.967 > 18 109 Au 0.14353514705544 0.17040093831847 0.12500000000000 196.967 > 19 110 Au 0.47686848038877 0.17040093831847 0.12500000000000 196.967 > 19 111 Au 0.81020181372210 0.17040093831847 0.12500000000000 196.967 > 19 112 Au 0.14353514705544 0.17040093831847 0.62500000000000 196.967 > 19 113 Au 0.47686848038877 0.17040093831847 0.62500000000000 196.967 > 19 114 Au 0.81020181372210 0.17040093831847 0.62500000000000 196.967 > 19 115 Au 0.14353514705544 0.32959906168153 0.37500000000000 196.967 > 20 116 Au 0.47686848038877 0.32959906168153 0.37500000000000 196.967 > 20 117 Au 0.81020181372210 0.32959906168153 0.37500000000000 196.967 > 20 118 Au 0.14353514705544 0.32959906168153 0.87500000000000 196.967 > 20 119 Au 0.47686848038877 0.32959906168153 0.87500000000000 196.967 > 20 120 Au 0.81020181372210 0.32959906168153 0.87500000000000 196.967 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7186903 0.0000000 0.0000000 0.0000000 5.6094162 0.0000000 0.0000000 0.0000000 7.0025461 -------------------------- Born effective charges -------------------------- 1 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 -0.3239016 0.0000000 -0.5199753 -2.0039389 2 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 0.3239016 0.0000000 0.5199753 -2.0039389 3 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 -0.3239016 0.0000000 -0.5199753 -2.0039389 4 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 0.3239016 0.0000000 0.5199753 -2.0039389 5 O -2.0838051 -0.0684901 0.3425798 -0.5375190 -2.1559555 0.4772171 0.7768272 0.5208580 -2.6693888 6 O -2.0838051 0.0684901 -0.3425798 0.5375190 -2.1559555 0.4772171 -0.7768272 0.5208580 -2.6693888 7 O -2.0838051 -0.0684901 -0.3425798 -0.5375190 -2.1559555 -0.4772171 -0.7768272 -0.5208580 -2.6693888 8 O -2.0838051 0.0684901 0.3425798 0.5375190 -2.1559555 -0.4772171 0.7768272 -0.5208580 -2.6693888 9 O -2.0838051 0.0684901 0.3425798 0.5375190 -2.1559555 -0.4772171 0.7768272 -0.5208580 -2.6693888 10 O -2.0838051 -0.0684901 -0.3425798 -0.5375190 -2.1559555 -0.4772171 -0.7768272 -0.5208580 -2.6693888 11 O -2.0838051 0.0684901 -0.3425798 0.5375190 -2.1559555 0.4772171 -0.7768272 0.5208580 -2.6693888 12 O -2.0838051 -0.0684901 0.3425798 -0.5375190 -2.1559555 0.4772171 0.7768272 0.5208580 -2.6693888 13 La 4.4729018 -0.7027468 0.0000000 0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 14 La 4.4729018 0.7027468 0.0000000 -0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 15 La 4.4729018 -0.7027468 0.0000000 0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 16 La 4.4729018 0.7027468 0.0000000 -0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 17 Au 0.5833064 0.8931178 0.0000000 1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 18 Au 0.5833064 -0.8931178 0.0000000 -1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 19 Au 0.5833064 0.8931178 0.0000000 1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 20 Au 0.5833064 -0.8931178 0.0000000 -1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1455 Number of blocks in projector: 1455 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: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 282 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 270 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 195 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 195 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 195 Use standard eigh solver. Tree of FC basis block matrices: - (1455, 1431), data: False |-- (195, 191), data: True |-- (195, 191), data: True |-- (195, 191), data: True |-- (270, 268), data: True |-- (282, 278), data: True |-- (318, 312), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 320 - Time: 0.604 Solver_block: 200 / 320 - Time: 0.607 Solver_block: 300 / 320 - Time: 0.606 Solver_block: 320 / 320 - Time: 0.200 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.051 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1455 Number of blocks in projector: 1455 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: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 282 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 270 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 195 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 195 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 195 Use standard eigh solver. Tree of FC basis block matrices: - (1455, 1431), data: False |-- (195, 191), data: True |-- (195, 191), data: True |-- (195, 191), data: True |-- (270, 268), data: True |-- (282, 278), data: True |-- (318, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:35:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:35:08]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.009855570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670917750000000 Atomic positions (fractional): 1 O 0.67480205827368 0.25000000000000 0.50000000000000 15.999 2 O 0.32519794172632 0.75000000000000 0.00000000000000 15.999 3 O 0.32519794172632 0.75000000000000 0.50000000000000 15.999 4 O 0.67480205827368 0.25000000000000 0.00000000000000 15.999 5 O 0.24301652843913 0.07927187398680 0.49529067633511 15.999 6 O 0.24301652843913 0.42072812601320 0.50470932366489 15.999 7 O 0.75698347156087 0.92072812601320 0.99529067633511 15.999 8 O 0.75698347156087 0.57927187398680 0.00470932366489 15.999 9 O 0.24301652843913 0.42072812601320 0.99529067633511 15.999 10 O 0.24301652843913 0.07927187398680 0.00470932366489 15.999 11 O 0.75698347156087 0.57927187398680 0.49529067633511 15.999 12 O 0.75698347156087 0.92072812601320 0.50470932366489 15.999 13 La 0.76410207449968 0.08113700806339 0.75000000000000 138.905 14 La 0.76410207449968 0.41886299193661 0.25000000000000 138.905 15 La 0.23589792550032 0.91886299193661 0.25000000000000 138.905 16 La 0.23589792550032 0.58113700806339 0.75000000000000 138.905 17 Au 0.56939455883369 0.82959906168153 0.75000000000000 196.967 18 Au 0.56939455883369 0.67040093831847 0.25000000000000 196.967 19 Au 0.43060544116631 0.17040093831847 0.25000000000000 196.967 20 Au 0.43060544116631 0.32959906168153 0.75000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.029566710000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.341835500000000 Atomic positions (fractional): 1 O 0.22493401942456 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.55826735275789 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.89160068609123 0.25000000000000 0.25000000000000 15.999 > 1 4 O 0.22493401942456 0.25000000000000 0.75000000000000 15.999 > 1 5 O 0.55826735275789 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.89160068609123 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.10839931390877 0.75000000000000 0.00000000000000 15.999 > 7 8 O 0.44173264724211 0.75000000000000 0.00000000000000 15.999 > 7 9 O 0.77506598057544 0.75000000000000 0.00000000000000 15.999 > 7 10 O 0.10839931390877 0.75000000000000 0.50000000000000 15.999 > 7 11 O 0.44173264724211 0.75000000000000 0.50000000000000 15.999 > 7 12 O 0.77506598057544 0.75000000000000 0.50000000000000 15.999 > 7 13 O 0.10839931390877 0.75000000000000 0.25000000000000 15.999 > 13 14 O 0.44173264724211 0.75000000000000 0.25000000000000 15.999 > 13 15 O 0.77506598057544 0.75000000000000 0.25000000000000 15.999 > 13 16 O 0.10839931390877 0.75000000000000 0.75000000000000 15.999 > 13 17 O 0.44173264724211 0.75000000000000 0.75000000000000 15.999 > 13 18 O 0.77506598057544 0.75000000000000 0.75000000000000 15.999 > 13 19 O 0.22493401942456 0.25000000000000 0.00000000000000 15.999 > 19 20 O 0.55826735275789 0.25000000000000 0.00000000000000 15.999 > 19 21 O 0.89160068609123 0.25000000000000 0.00000000000000 15.999 > 19 22 O 0.22493401942456 0.25000000000000 0.50000000000000 15.999 > 19 23 O 0.55826735275789 0.25000000000000 0.50000000000000 15.999 > 19 24 O 0.89160068609123 0.25000000000000 0.50000000000000 15.999 > 19 25 O 0.08100550947971 0.07927187398680 0.24764533816755 15.999 > 25 26 O 0.41433884281304 0.07927187398680 0.24764533816755 15.999 > 25 27 O 0.74767217614638 0.07927187398680 0.24764533816755 15.999 > 25 28 O 0.08100550947971 0.07927187398680 0.74764533816755 15.999 > 25 29 O 0.41433884281304 0.07927187398680 0.74764533816755 15.999 > 25 30 O 0.74767217614638 0.07927187398680 0.74764533816755 15.999 > 25 31 O 0.08100550947971 0.42072812601320 0.25235466183245 15.999 > 31 32 O 0.41433884281304 0.42072812601320 0.25235466183245 15.999 > 31 33 O 0.74767217614638 0.42072812601320 0.25235466183245 15.999 > 31 34 O 0.08100550947971 0.42072812601320 0.75235466183245 15.999 > 31 35 O 0.41433884281304 0.42072812601320 0.75235466183245 15.999 > 31 36 O 0.74767217614638 0.42072812601320 0.75235466183245 15.999 > 31 37 O 0.25232782385362 0.92072812601320 0.49764533816755 15.999 > 37 38 O 0.58566115718696 0.92072812601320 0.49764533816755 15.999 > 37 39 O 0.91899449052029 0.92072812601320 0.49764533816755 15.999 > 37 40 O 0.25232782385362 0.92072812601320 0.99764533816755 15.999 > 37 41 O 0.58566115718696 0.92072812601320 0.99764533816755 15.999 > 37 42 O 0.91899449052029 0.92072812601320 0.99764533816755 15.999 > 37 43 O 0.25232782385362 0.57927187398680 0.00235466183245 15.999 > 43 44 O 0.58566115718696 0.57927187398680 0.00235466183245 15.999 > 43 45 O 0.91899449052029 0.57927187398680 0.00235466183245 15.999 > 43 46 O 0.25232782385362 0.57927187398680 0.50235466183245 15.999 > 43 47 O 0.58566115718696 0.57927187398680 0.50235466183245 15.999 > 43 48 O 0.91899449052029 0.57927187398680 0.50235466183245 15.999 > 43 49 O 0.08100550947971 0.42072812601320 0.49764533816755 15.999 > 49 50 O 0.41433884281304 0.42072812601320 0.49764533816755 15.999 > 49 51 O 0.74767217614638 0.42072812601320 0.49764533816755 15.999 > 49 52 O 0.08100550947971 0.42072812601320 0.99764533816755 15.999 > 49 53 O 0.41433884281304 0.42072812601320 0.99764533816755 15.999 > 49 54 O 0.74767217614638 0.42072812601320 0.99764533816755 15.999 > 49 55 O 0.08100550947971 0.07927187398680 0.00235466183245 15.999 > 55 56 O 0.41433884281304 0.07927187398680 0.00235466183245 15.999 > 55 57 O 0.74767217614638 0.07927187398680 0.00235466183245 15.999 > 55 58 O 0.08100550947971 0.07927187398680 0.50235466183245 15.999 > 55 59 O 0.41433884281304 0.07927187398680 0.50235466183245 15.999 > 55 60 O 0.74767217614638 0.07927187398680 0.50235466183245 15.999 > 55 61 O 0.25232782385362 0.57927187398680 0.24764533816755 15.999 > 61 62 O 0.58566115718696 0.57927187398680 0.24764533816755 15.999 > 61 63 O 0.91899449052029 0.57927187398680 0.24764533816755 15.999 > 61 64 O 0.25232782385362 0.57927187398680 0.74764533816755 15.999 > 61 65 O 0.58566115718696 0.57927187398680 0.74764533816755 15.999 > 61 66 O 0.91899449052029 0.57927187398680 0.74764533816755 15.999 > 61 67 O 0.25232782385362 0.92072812601320 0.25235466183245 15.999 > 67 68 O 0.58566115718696 0.92072812601320 0.25235466183245 15.999 > 67 69 O 0.91899449052029 0.92072812601320 0.25235466183245 15.999 > 67 70 O 0.25232782385362 0.92072812601320 0.75235466183245 15.999 > 67 71 O 0.58566115718696 0.92072812601320 0.75235466183245 15.999 > 67 72 O 0.91899449052029 0.92072812601320 0.75235466183245 15.999 > 67 73 La 0.25470069149989 0.08113700806339 0.37500000000000 138.905 > 73 74 La 0.58803402483323 0.08113700806339 0.37500000000000 138.905 > 73 75 La 0.92136735816656 0.08113700806339 0.37500000000000 138.905 > 73 76 La 0.25470069149989 0.08113700806339 0.87500000000000 138.905 > 73 77 La 0.58803402483323 0.08113700806339 0.87500000000000 138.905 > 73 78 La 0.92136735816656 0.08113700806339 0.87500000000000 138.905 > 73 79 La 0.25470069149989 0.41886299193661 0.12500000000000 138.905 > 79 80 La 0.58803402483323 0.41886299193661 0.12500000000000 138.905 > 79 81 La 0.92136735816656 0.41886299193661 0.12500000000000 138.905 > 79 82 La 0.25470069149989 0.41886299193661 0.62500000000000 138.905 > 79 83 La 0.58803402483323 0.41886299193661 0.62500000000000 138.905 > 79 84 La 0.92136735816656 0.41886299193661 0.62500000000000 138.905 > 79 85 La 0.07863264183344 0.91886299193661 0.12500000000000 138.905 > 85 86 La 0.41196597516677 0.91886299193661 0.12500000000000 138.905 > 85 87 La 0.74529930850011 0.91886299193661 0.12500000000000 138.905 > 85 88 La 0.07863264183344 0.91886299193661 0.62500000000000 138.905 > 85 89 La 0.41196597516677 0.91886299193661 0.62500000000000 138.905 > 85 90 La 0.74529930850011 0.91886299193661 0.62500000000000 138.905 > 85 91 La 0.07863264183344 0.58113700806339 0.37500000000000 138.905 > 91 92 La 0.41196597516677 0.58113700806339 0.37500000000000 138.905 > 91 93 La 0.74529930850011 0.58113700806339 0.37500000000000 138.905 > 91 94 La 0.07863264183344 0.58113700806339 0.87500000000000 138.905 > 91 95 La 0.41196597516677 0.58113700806339 0.87500000000000 138.905 > 91 96 La 0.74529930850011 0.58113700806339 0.87500000000000 138.905 > 91 97 Au 0.18979818627790 0.82959906168153 0.37500000000000 196.967 > 97 98 Au 0.52313151961123 0.82959906168153 0.37500000000000 196.967 > 97 99 Au 0.85646485294456 0.82959906168153 0.37500000000000 196.967 > 97 100 Au 0.18979818627790 0.82959906168153 0.87500000000000 196.967 > 97 101 Au 0.52313151961123 0.82959906168153 0.87500000000000 196.967 > 97 102 Au 0.85646485294456 0.82959906168153 0.87500000000000 196.967 > 97 103 Au 0.18979818627790 0.67040093831847 0.12500000000000 196.967 > 103 104 Au 0.52313151961123 0.67040093831847 0.12500000000000 196.967 > 103 105 Au 0.85646485294456 0.67040093831847 0.12500000000000 196.967 > 103 106 Au 0.18979818627790 0.67040093831847 0.62500000000000 196.967 > 103 107 Au 0.52313151961123 0.67040093831847 0.62500000000000 196.967 > 103 108 Au 0.85646485294456 0.67040093831847 0.62500000000000 196.967 > 103 109 Au 0.14353514705544 0.17040093831847 0.12500000000000 196.967 > 109 110 Au 0.47686848038877 0.17040093831847 0.12500000000000 196.967 > 109 111 Au 0.81020181372210 0.17040093831847 0.12500000000000 196.967 > 109 112 Au 0.14353514705544 0.17040093831847 0.62500000000000 196.967 > 109 113 Au 0.47686848038877 0.17040093831847 0.62500000000000 196.967 > 109 114 Au 0.81020181372210 0.17040093831847 0.62500000000000 196.967 > 109 115 Au 0.14353514705544 0.32959906168153 0.37500000000000 196.967 > 115 116 Au 0.47686848038877 0.32959906168153 0.37500000000000 196.967 > 115 117 Au 0.81020181372210 0.32959906168153 0.37500000000000 196.967 > 115 118 Au 0.14353514705544 0.32959906168153 0.87500000000000 196.967 > 115 119 Au 0.47686848038877 0.32959906168153 0.87500000000000 196.967 > 115 120 Au 0.81020181372210 0.32959906168153 0.87500000000000 196.967 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7186903 0.0000000 0.0000000 0.0000000 5.6094162 0.0000000 0.0000000 0.0000000 7.0025461 -------------------------- Born effective charges -------------------------- 1 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 -0.3239016 0.0000000 -0.5199753 -2.0039389 2 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 0.3239016 0.0000000 0.5199753 -2.0039389 3 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 -0.3239016 0.0000000 -0.5199753 -2.0039389 4 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 0.3239016 0.0000000 0.5199753 -2.0039389 5 O -2.0838051 -0.0684901 0.3425798 -0.5375190 -2.1559555 0.4772171 0.7768272 0.5208580 -2.6693888 6 O -2.0838051 0.0684901 -0.3425798 0.5375190 -2.1559555 0.4772171 -0.7768272 0.5208580 -2.6693888 7 O -2.0838051 -0.0684901 -0.3425798 -0.5375190 -2.1559555 -0.4772171 -0.7768272 -0.5208580 -2.6693888 8 O -2.0838051 0.0684901 0.3425798 0.5375190 -2.1559555 -0.4772171 0.7768272 -0.5208580 -2.6693888 9 O -2.0838051 0.0684901 0.3425798 0.5375190 -2.1559555 -0.4772171 0.7768272 -0.5208580 -2.6693888 10 O -2.0838051 -0.0684901 -0.3425798 -0.5375190 -2.1559555 -0.4772171 -0.7768272 -0.5208580 -2.6693888 11 O -2.0838051 0.0684901 -0.3425798 0.5375190 -2.1559555 0.4772171 -0.7768272 0.5208580 -2.6693888 12 O -2.0838051 -0.0684901 0.3425798 -0.5375190 -2.1559555 0.4772171 0.7768272 0.5208580 -2.6693888 13 La 4.4729018 -0.7027468 0.0000000 0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 14 La 4.4729018 0.7027468 0.0000000 -0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 15 La 4.4729018 -0.7027468 0.0000000 0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 16 La 4.4729018 0.7027468 0.0000000 -0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 17 Au 0.5833064 0.8931178 0.0000000 1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 18 Au 0.5833064 -0.8931178 0.0000000 -1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 19 Au 0.5833064 0.8931178 0.0000000 1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 20 Au 0.5833064 -0.8931178 0.0000000 -1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 07:35:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:35:29]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.009855570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.670917750000000 Atomic positions (fractional): 1 O 0.67480205827368 0.25000000000000 0.50000000000000 15.999 2 O 0.32519794172632 0.75000000000000 0.00000000000000 15.999 3 O 0.32519794172632 0.75000000000000 0.50000000000000 15.999 4 O 0.67480205827368 0.25000000000000 0.00000000000000 15.999 5 O 0.24301652843913 0.07927187398680 0.49529067633511 15.999 6 O 0.24301652843913 0.42072812601320 0.50470932366489 15.999 7 O 0.75698347156087 0.92072812601320 0.99529067633511 15.999 8 O 0.75698347156087 0.57927187398680 0.00470932366489 15.999 9 O 0.24301652843913 0.42072812601320 0.99529067633511 15.999 10 O 0.24301652843913 0.07927187398680 0.00470932366489 15.999 11 O 0.75698347156087 0.57927187398680 0.49529067633511 15.999 12 O 0.75698347156087 0.92072812601320 0.50470932366489 15.999 13 La 0.76410207449968 0.08113700806339 0.75000000000000 138.905 14 La 0.76410207449968 0.41886299193661 0.25000000000000 138.905 15 La 0.23589792550032 0.91886299193661 0.25000000000000 138.905 16 La 0.23589792550032 0.58113700806339 0.75000000000000 138.905 17 Au 0.56939455883369 0.82959906168153 0.75000000000000 196.967 18 Au 0.56939455883369 0.67040093831847 0.25000000000000 196.967 19 Au 0.43060544116631 0.17040093831847 0.25000000000000 196.967 20 Au 0.43060544116631 0.32959906168153 0.75000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.029566710000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.005391939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.341835500000000 Atomic positions (fractional): 1 O 0.22493401942456 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.55826735275789 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.89160068609123 0.25000000000000 0.25000000000000 15.999 > 1 4 O 0.22493401942456 0.25000000000000 0.75000000000000 15.999 > 1 5 O 0.55826735275789 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.89160068609123 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.10839931390877 0.75000000000000 0.00000000000000 15.999 > 7 8 O 0.44173264724211 0.75000000000000 0.00000000000000 15.999 > 7 9 O 0.77506598057544 0.75000000000000 0.00000000000000 15.999 > 7 10 O 0.10839931390877 0.75000000000000 0.50000000000000 15.999 > 7 11 O 0.44173264724211 0.75000000000000 0.50000000000000 15.999 > 7 12 O 0.77506598057544 0.75000000000000 0.50000000000000 15.999 > 7 13 O 0.10839931390877 0.75000000000000 0.25000000000000 15.999 > 13 14 O 0.44173264724211 0.75000000000000 0.25000000000000 15.999 > 13 15 O 0.77506598057544 0.75000000000000 0.25000000000000 15.999 > 13 16 O 0.10839931390877 0.75000000000000 0.75000000000000 15.999 > 13 17 O 0.44173264724211 0.75000000000000 0.75000000000000 15.999 > 13 18 O 0.77506598057544 0.75000000000000 0.75000000000000 15.999 > 13 19 O 0.22493401942456 0.25000000000000 0.00000000000000 15.999 > 19 20 O 0.55826735275789 0.25000000000000 0.00000000000000 15.999 > 19 21 O 0.89160068609123 0.25000000000000 0.00000000000000 15.999 > 19 22 O 0.22493401942456 0.25000000000000 0.50000000000000 15.999 > 19 23 O 0.55826735275789 0.25000000000000 0.50000000000000 15.999 > 19 24 O 0.89160068609123 0.25000000000000 0.50000000000000 15.999 > 19 25 O 0.08100550947971 0.07927187398680 0.24764533816755 15.999 > 25 26 O 0.41433884281304 0.07927187398680 0.24764533816755 15.999 > 25 27 O 0.74767217614638 0.07927187398680 0.24764533816755 15.999 > 25 28 O 0.08100550947971 0.07927187398680 0.74764533816755 15.999 > 25 29 O 0.41433884281304 0.07927187398680 0.74764533816755 15.999 > 25 30 O 0.74767217614638 0.07927187398680 0.74764533816755 15.999 > 25 31 O 0.08100550947971 0.42072812601320 0.25235466183245 15.999 > 31 32 O 0.41433884281304 0.42072812601320 0.25235466183245 15.999 > 31 33 O 0.74767217614638 0.42072812601320 0.25235466183245 15.999 > 31 34 O 0.08100550947971 0.42072812601320 0.75235466183245 15.999 > 31 35 O 0.41433884281304 0.42072812601320 0.75235466183245 15.999 > 31 36 O 0.74767217614638 0.42072812601320 0.75235466183245 15.999 > 31 37 O 0.25232782385362 0.92072812601320 0.49764533816755 15.999 > 37 38 O 0.58566115718696 0.92072812601320 0.49764533816755 15.999 > 37 39 O 0.91899449052029 0.92072812601320 0.49764533816755 15.999 > 37 40 O 0.25232782385362 0.92072812601320 0.99764533816755 15.999 > 37 41 O 0.58566115718696 0.92072812601320 0.99764533816755 15.999 > 37 42 O 0.91899449052029 0.92072812601320 0.99764533816755 15.999 > 37 43 O 0.25232782385362 0.57927187398680 0.00235466183245 15.999 > 43 44 O 0.58566115718696 0.57927187398680 0.00235466183245 15.999 > 43 45 O 0.91899449052029 0.57927187398680 0.00235466183245 15.999 > 43 46 O 0.25232782385362 0.57927187398680 0.50235466183245 15.999 > 43 47 O 0.58566115718696 0.57927187398680 0.50235466183245 15.999 > 43 48 O 0.91899449052029 0.57927187398680 0.50235466183245 15.999 > 43 49 O 0.08100550947971 0.42072812601320 0.49764533816755 15.999 > 49 50 O 0.41433884281304 0.42072812601320 0.49764533816755 15.999 > 49 51 O 0.74767217614638 0.42072812601320 0.49764533816755 15.999 > 49 52 O 0.08100550947971 0.42072812601320 0.99764533816755 15.999 > 49 53 O 0.41433884281304 0.42072812601320 0.99764533816755 15.999 > 49 54 O 0.74767217614638 0.42072812601320 0.99764533816755 15.999 > 49 55 O 0.08100550947971 0.07927187398680 0.00235466183245 15.999 > 55 56 O 0.41433884281304 0.07927187398680 0.00235466183245 15.999 > 55 57 O 0.74767217614638 0.07927187398680 0.00235466183245 15.999 > 55 58 O 0.08100550947971 0.07927187398680 0.50235466183245 15.999 > 55 59 O 0.41433884281304 0.07927187398680 0.50235466183245 15.999 > 55 60 O 0.74767217614638 0.07927187398680 0.50235466183245 15.999 > 55 61 O 0.25232782385362 0.57927187398680 0.24764533816755 15.999 > 61 62 O 0.58566115718696 0.57927187398680 0.24764533816755 15.999 > 61 63 O 0.91899449052029 0.57927187398680 0.24764533816755 15.999 > 61 64 O 0.25232782385362 0.57927187398680 0.74764533816755 15.999 > 61 65 O 0.58566115718696 0.57927187398680 0.74764533816755 15.999 > 61 66 O 0.91899449052029 0.57927187398680 0.74764533816755 15.999 > 61 67 O 0.25232782385362 0.92072812601320 0.25235466183245 15.999 > 67 68 O 0.58566115718696 0.92072812601320 0.25235466183245 15.999 > 67 69 O 0.91899449052029 0.92072812601320 0.25235466183245 15.999 > 67 70 O 0.25232782385362 0.92072812601320 0.75235466183245 15.999 > 67 71 O 0.58566115718696 0.92072812601320 0.75235466183245 15.999 > 67 72 O 0.91899449052029 0.92072812601320 0.75235466183245 15.999 > 67 73 La 0.25470069149989 0.08113700806339 0.37500000000000 138.905 > 73 74 La 0.58803402483323 0.08113700806339 0.37500000000000 138.905 > 73 75 La 0.92136735816656 0.08113700806339 0.37500000000000 138.905 > 73 76 La 0.25470069149989 0.08113700806339 0.87500000000000 138.905 > 73 77 La 0.58803402483323 0.08113700806339 0.87500000000000 138.905 > 73 78 La 0.92136735816656 0.08113700806339 0.87500000000000 138.905 > 73 79 La 0.25470069149989 0.41886299193661 0.12500000000000 138.905 > 79 80 La 0.58803402483323 0.41886299193661 0.12500000000000 138.905 > 79 81 La 0.92136735816656 0.41886299193661 0.12500000000000 138.905 > 79 82 La 0.25470069149989 0.41886299193661 0.62500000000000 138.905 > 79 83 La 0.58803402483323 0.41886299193661 0.62500000000000 138.905 > 79 84 La 0.92136735816656 0.41886299193661 0.62500000000000 138.905 > 79 85 La 0.07863264183344 0.91886299193661 0.12500000000000 138.905 > 85 86 La 0.41196597516677 0.91886299193661 0.12500000000000 138.905 > 85 87 La 0.74529930850011 0.91886299193661 0.12500000000000 138.905 > 85 88 La 0.07863264183344 0.91886299193661 0.62500000000000 138.905 > 85 89 La 0.41196597516677 0.91886299193661 0.62500000000000 138.905 > 85 90 La 0.74529930850011 0.91886299193661 0.62500000000000 138.905 > 85 91 La 0.07863264183344 0.58113700806339 0.37500000000000 138.905 > 91 92 La 0.41196597516677 0.58113700806339 0.37500000000000 138.905 > 91 93 La 0.74529930850011 0.58113700806339 0.37500000000000 138.905 > 91 94 La 0.07863264183344 0.58113700806339 0.87500000000000 138.905 > 91 95 La 0.41196597516677 0.58113700806339 0.87500000000000 138.905 > 91 96 La 0.74529930850011 0.58113700806339 0.87500000000000 138.905 > 91 97 Au 0.18979818627790 0.82959906168153 0.37500000000000 196.967 > 97 98 Au 0.52313151961123 0.82959906168153 0.37500000000000 196.967 > 97 99 Au 0.85646485294456 0.82959906168153 0.37500000000000 196.967 > 97 100 Au 0.18979818627790 0.82959906168153 0.87500000000000 196.967 > 97 101 Au 0.52313151961123 0.82959906168153 0.87500000000000 196.967 > 97 102 Au 0.85646485294456 0.82959906168153 0.87500000000000 196.967 > 97 103 Au 0.18979818627790 0.67040093831847 0.12500000000000 196.967 > 103 104 Au 0.52313151961123 0.67040093831847 0.12500000000000 196.967 > 103 105 Au 0.85646485294456 0.67040093831847 0.12500000000000 196.967 > 103 106 Au 0.18979818627790 0.67040093831847 0.62500000000000 196.967 > 103 107 Au 0.52313151961123 0.67040093831847 0.62500000000000 196.967 > 103 108 Au 0.85646485294456 0.67040093831847 0.62500000000000 196.967 > 103 109 Au 0.14353514705544 0.17040093831847 0.12500000000000 196.967 > 109 110 Au 0.47686848038877 0.17040093831847 0.12500000000000 196.967 > 109 111 Au 0.81020181372210 0.17040093831847 0.12500000000000 196.967 > 109 112 Au 0.14353514705544 0.17040093831847 0.62500000000000 196.967 > 109 113 Au 0.47686848038877 0.17040093831847 0.62500000000000 196.967 > 109 114 Au 0.81020181372210 0.17040093831847 0.62500000000000 196.967 > 109 115 Au 0.14353514705544 0.32959906168153 0.37500000000000 196.967 > 115 116 Au 0.47686848038877 0.32959906168153 0.37500000000000 196.967 > 115 117 Au 0.81020181372210 0.32959906168153 0.37500000000000 196.967 > 115 118 Au 0.14353514705544 0.32959906168153 0.87500000000000 196.967 > 115 119 Au 0.47686848038877 0.32959906168153 0.87500000000000 196.967 > 115 120 Au 0.81020181372210 0.32959906168153 0.87500000000000 196.967 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7186903 0.0000000 0.0000000 0.0000000 5.6094162 0.0000000 0.0000000 0.0000000 7.0025461 -------------------------- Born effective charges -------------------------- 1 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 -0.3239016 0.0000000 -0.5199753 -2.0039389 2 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 0.3239016 0.0000000 0.5199753 -2.0039389 3 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 -0.3239016 0.0000000 -0.5199753 -2.0039389 4 O -0.8885980 0.0000000 0.0000000 0.0000000 -1.6822261 0.3239016 0.0000000 0.5199753 -2.0039389 5 O -2.0838051 -0.0684901 0.3425798 -0.5375190 -2.1559555 0.4772171 0.7768272 0.5208580 -2.6693888 6 O -2.0838051 0.0684901 -0.3425798 0.5375190 -2.1559555 0.4772171 -0.7768272 0.5208580 -2.6693888 7 O -2.0838051 -0.0684901 -0.3425798 -0.5375190 -2.1559555 -0.4772171 -0.7768272 -0.5208580 -2.6693888 8 O -2.0838051 0.0684901 0.3425798 0.5375190 -2.1559555 -0.4772171 0.7768272 -0.5208580 -2.6693888 9 O -2.0838051 0.0684901 0.3425798 0.5375190 -2.1559555 -0.4772171 0.7768272 -0.5208580 -2.6693888 10 O -2.0838051 -0.0684901 -0.3425798 -0.5375190 -2.1559555 -0.4772171 -0.7768272 -0.5208580 -2.6693888 11 O -2.0838051 0.0684901 -0.3425798 0.5375190 -2.1559555 0.4772171 -0.7768272 0.5208580 -2.6693888 12 O -2.0838051 -0.0684901 0.3425798 -0.5375190 -2.1559555 0.4772171 0.7768272 0.5208580 -2.6693888 13 La 4.4729018 -0.7027468 0.0000000 0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 14 La 4.4729018 0.7027468 0.0000000 -0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 15 La 4.4729018 -0.7027468 0.0000000 0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 16 La 4.4729018 0.7027468 0.0000000 -0.0248679 4.4655151 0.0000000 0.0000000 0.0000000 4.5370577 17 Au 0.5833064 0.8931178 0.0000000 1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 18 Au 0.5833064 -0.8931178 0.0000000 -1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 19 Au 0.5833064 0.8931178 0.0000000 1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 20 Au 0.5833064 -0.8931178 0.0000000 -1.3885819 1.5286220 0.0000000 0.0000000 0.0000000 2.8056588 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 4 9 ] 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: 0.62, Number of G-points: 311, Lambda: 0.16 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 1.602 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 10.007 ( 0.000 0.000 0.000) 0.000 10.349 ( 0.000 0.000 0.000) 0.000 10.627 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.254 ( 0.000 0.000 0.000) 0.000 14.226 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 18.111 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.485 ( 0.000 0.000 0.000) 0.000 18.524 ( 0.000 0.000 0.000) 0.000 19.036 ( 0.000 0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 19.533 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.913 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 21.421 0.000 0.000) 21.421 0.457 ( 21.992 0.000 0.000) 21.992 0.818 ( 36.999 0.000 0.000) 36.999 1.752 ( 12.880 0.000 0.000) 12.880 1.894 ( 3.709 0.000 0.000) 3.709 1.939 ( -1.624 0.000 0.000) 1.624 2.076 ( 6.196 0.000 0.000) 6.196 2.615 ( 3.053 0.000 0.000) 3.053 2.946 ( 2.719 0.000 0.000) 2.719 3.204 ( 4.772 0.000 0.000) 4.772 3.324 ( 2.232 0.000 0.000) 2.232 3.354 ( 3.099 0.000 0.000) 3.099 3.380 ( 3.396 0.000 0.000) 3.396 3.706 ( 3.839 0.000 0.000) 3.839 3.735 ( -3.881 0.000 0.000) 3.881 3.838 ( 4.380 0.000 0.000) 4.380 3.964 ( -4.164 0.000 0.000) 4.164 4.008 ( 5.124 0.000 0.000) 5.124 4.353 ( 6.829 0.000 0.000) 6.829 4.576 ( 1.175 0.000 0.000) 1.175 4.895 ( -2.746 0.000 0.000) 2.746 5.069 ( -5.884 0.000 0.000) 5.884 5.131 ( 0.348 0.000 0.000) 0.348 5.255 ( -3.585 0.000 0.000) 3.585 5.453 ( -1.172 0.000 0.000) 1.172 6.495 ( 3.010 0.000 0.000) 3.010 7.393 ( -1.148 0.000 0.000) 1.148 7.530 ( -1.520 0.000 0.000) 1.520 7.993 ( 6.689 0.000 0.000) 6.689 8.089 ( -1.178 0.000 0.000) 1.178 8.535 ( -0.226 0.000 0.000) 0.226 9.260 ( 2.736 0.000 0.000) 2.736 9.413 ( -9.410 0.000 0.000) 9.410 9.496 ( -3.370 0.000 0.000) 3.370 9.560 ( -0.823 0.000 0.000) 0.823 9.834 ( 0.796 0.000 0.000) 0.796 10.003 ( -0.388 0.000 0.000) 0.388 10.337 ( -1.107 0.000 0.000) 1.107 10.546 ( -4.993 0.000 0.000) 4.993 10.718 ( -1.530 0.000 0.000) 1.530 11.031 ( 8.502 0.000 0.000) 8.502 11.317 ( 6.261 0.000 0.000) 6.261 12.315 ( 3.584 0.000 0.000) 3.584 12.953 ( -12.639 0.000 0.000) 12.639 13.182 ( -0.862 0.000 0.000) 0.862 13.239 ( -1.435 0.000 0.000) 1.435 14.296 ( 5.644 0.000 0.000) 5.644 14.703 ( -0.627 0.000 0.000) 0.627 17.089 ( -1.034 0.000 0.000) 1.034 17.583 ( -1.236 0.000 0.000) 1.236 17.702 ( 0.904 0.000 0.000) 0.904 18.122 ( 0.953 0.000 0.000) 0.953 18.446 ( -2.293 0.000 0.000) 2.293 18.487 ( 0.233 0.000 0.000) 0.233 18.526 ( 0.165 0.000 0.000) 0.165 19.020 ( -1.348 0.000 0.000) 1.348 19.112 ( -0.310 0.000 0.000) 0.310 19.539 ( -2.849 0.000 0.000) 2.849 19.858 ( -5.160 0.000 0.000) 5.160 20.262 ( -1.630 0.000 0.000) 1.630 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 0.888 ( 20.751 0.000 0.000) 20.751 0.914 ( 21.947 0.000 0.000) 21.947 1.455 ( 20.821 0.000 0.000) 20.821 1.949 ( 5.274 0.000 0.000) 5.274 1.999 ( 6.101 0.000 0.000) 6.101 2.052 ( 14.155 0.000 0.000) 14.155 2.260 ( 11.277 0.000 0.000) 11.277 2.712 ( 6.256 0.000 0.000) 6.256 3.011 ( 3.297 0.000 0.000) 3.297 3.288 ( 2.343 0.000 0.000) 2.343 3.354 ( 0.421 0.000 0.000) 0.421 3.459 ( 6.594 0.000 0.000) 6.594 3.480 ( 6.072 0.000 0.000) 6.072 3.633 ( -5.387 0.000 0.000) 5.387 3.800 ( 4.089 0.000 0.000) 4.089 3.844 ( -7.173 0.000 0.000) 7.173 3.982 ( 9.057 0.000 0.000) 9.057 4.203 ( 13.496 0.000 0.000) 13.496 4.552 ( 12.039 0.000 0.000) 12.039 4.631 ( 4.673 0.000 0.000) 4.673 4.810 ( -5.364 0.000 0.000) 5.364 4.888 ( -11.314 0.000 0.000) 11.314 5.145 ( -6.888 0.000 0.000) 6.888 5.171 ( 4.360 0.000 0.000) 4.360 5.428 ( -1.060 0.000 0.000) 1.060 6.584 ( 5.416 0.000 0.000) 5.416 7.360 ( -1.888 0.000 0.000) 1.888 7.481 ( -3.302 0.000 0.000) 3.302 8.060 ( -1.540 0.000 0.000) 1.540 8.120 ( 4.305 0.000 0.000) 4.305 8.526 ( -0.639 0.000 0.000) 0.639 9.154 ( -14.418 0.000 0.000) 14.418 9.360 ( 6.725 0.000 0.000) 6.725 9.405 ( -5.080 0.000 0.000) 5.080 9.534 ( -1.682 0.000 0.000) 1.682 9.850 ( 0.663 0.000 0.000) 0.663 9.992 ( -0.608 0.000 0.000) 0.608 10.308 ( -1.430 0.000 0.000) 1.430 10.466 ( -2.806 0.000 0.000) 2.806 10.672 ( -2.792 0.000 0.000) 2.792 11.203 ( 7.561 0.000 0.000) 7.561 11.495 ( 10.443 0.000 0.000) 10.443 12.413 ( 5.494 0.000 0.000) 5.494 12.640 ( -16.274 0.000 0.000) 16.274 13.156 ( -1.569 0.000 0.000) 1.569 13.197 ( -2.573 0.000 0.000) 2.573 14.416 ( 5.291 0.000 0.000) 5.291 14.686 ( -0.888 0.000 0.000) 0.888 17.060 ( -1.660 0.000 0.000) 1.660 17.550 ( -1.787 0.000 0.000) 1.787 17.726 ( 1.356 0.000 0.000) 1.356 18.147 ( 1.424 0.000 0.000) 1.424 18.372 ( -4.809 0.000 0.000) 4.809 18.494 ( 0.429 0.000 0.000) 0.429 18.530 ( 0.245 0.000 0.000) 0.245 18.986 ( -1.756 0.000 0.000) 1.756 19.097 ( -1.159 0.000 0.000) 1.159 19.472 ( -3.188 0.000 0.000) 3.188 19.709 ( -8.829 0.000 0.000) 8.829 20.213 ( -3.002 0.000 0.000) 3.002 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 19.229 0.000 0.000) 19.229 1.367 ( 21.570 0.000 0.000) 21.570 1.629 ( 0.617 0.000 0.000) 0.617 2.134 ( 6.532 0.000 0.000) 6.532 2.191 ( 13.139 0.000 0.000) 13.139 2.301 ( 9.683 0.000 0.000) 9.683 2.533 ( 14.795 0.000 0.000) 14.795 2.864 ( 7.875 0.000 0.000) 7.875 3.080 ( 3.313 0.000 0.000) 3.313 3.302 ( -0.713 0.000 0.000) 0.713 3.348 ( -0.781 0.000 0.000) 0.781 3.512 ( -4.770 0.000 0.000) 4.770 3.608 ( 5.863 0.000 0.000) 5.863 3.623 ( 7.396 0.000 0.000) 7.396 3.680 ( -8.226 0.000 0.000) 8.226 3.843 ( -0.157 0.000 0.000) 0.157 4.176 ( 8.594 0.000 0.000) 8.594 4.543 ( 18.268 0.000 0.000) 18.268 4.610 ( -15.140 0.000 0.000) 15.140 4.672 ( -7.944 0.000 0.000) 7.944 4.787 ( 10.625 0.000 0.000) 10.625 4.835 ( 14.501 0.000 0.000) 14.501 4.976 ( -9.157 0.000 0.000) 9.157 5.336 ( 11.385 0.000 0.000) 11.385 5.417 ( 0.126 0.000 0.000) 0.126 6.712 ( 6.642 0.000 0.000) 6.642 7.322 ( -1.597 0.000 0.000) 1.597 7.394 ( -4.974 0.000 0.000) 4.974 8.028 ( -1.567 0.000 0.000) 1.567 8.164 ( 0.462 0.000 0.000) 0.462 8.509 ( -0.914 0.000 0.000) 0.914 8.857 ( -13.424 0.000 0.000) 13.424 9.294 ( -5.466 0.000 0.000) 5.466 9.491 ( -2.380 0.000 0.000) 2.380 9.506 ( 6.223 0.000 0.000) 6.223 9.860 ( 0.370 0.000 0.000) 0.370 9.985 ( 0.197 0.000 0.000) 0.197 10.285 ( -0.622 0.000 0.000) 0.622 10.411 ( -2.842 0.000 0.000) 2.842 10.606 ( -3.470 0.000 0.000) 3.470 11.339 ( 5.566 0.000 0.000) 5.566 11.730 ( 11.709 0.000 0.000) 11.709 12.311 ( -14.784 0.000 0.000) 14.784 12.529 ( 5.372 0.000 0.000) 5.372 13.119 ( -2.028 0.000 0.000) 2.028 13.137 ( -2.993 0.000 0.000) 2.993 14.506 ( 3.327 0.000 0.000) 3.327 14.669 ( -0.767 0.000 0.000) 0.767 17.024 ( -1.779 0.000 0.000) 1.779 17.514 ( -1.629 0.000 0.000) 1.629 17.754 ( 1.300 0.000 0.000) 1.300 18.177 ( 1.409 0.000 0.000) 1.409 18.248 ( -6.932 0.000 0.000) 6.932 18.504 ( 0.548 0.000 0.000) 0.548 18.535 ( 0.211 0.000 0.000) 0.211 18.952 ( -1.484 0.000 0.000) 1.484 19.067 ( -1.663 0.000 0.000) 1.663 19.418 ( -1.977 0.000 0.000) 1.977 19.508 ( -10.113 0.000 0.000) 10.113 20.143 ( -3.511 0.000 0.000) 3.511 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 1.616 ( -0.843 0.000 0.000) 0.843 1.676 ( 16.202 0.000 0.000) 16.202 1.802 ( 19.992 0.000 0.000) 19.992 2.257 ( 5.129 0.000 0.000) 5.129 2.379 ( 4.910 0.000 0.000) 4.910 2.461 ( 5.863 0.000 0.000) 5.863 2.864 ( 16.723 0.000 0.000) 16.723 3.019 ( 6.747 0.000 0.000) 6.747 3.146 ( 3.010 0.000 0.000) 3.010 3.263 ( -2.905 0.000 0.000) 2.905 3.326 ( -1.314 0.000 0.000) 1.314 3.414 ( -4.278 0.000 0.000) 4.278 3.517 ( -7.134 0.000 0.000) 7.134 3.718 ( 4.376 0.000 0.000) 4.376 3.769 ( 5.994 0.000 0.000) 5.994 3.809 ( -2.459 0.000 0.000) 2.459 4.277 ( -16.384 0.000 0.000) 16.384 4.309 ( 4.131 0.000 0.000) 4.131 4.487 ( -9.328 0.000 0.000) 9.328 4.778 ( -9.626 0.000 0.000) 9.626 4.915 ( 16.510 0.000 0.000) 16.510 5.066 ( 15.150 0.000 0.000) 15.150 5.122 ( 12.366 0.000 0.000) 12.366 5.435 ( 1.587 0.000 0.000) 1.587 5.603 ( 12.990 0.000 0.000) 12.990 6.848 ( 6.167 0.000 0.000) 6.167 7.281 ( -5.547 0.000 0.000) 5.547 7.299 ( -0.470 0.000 0.000) 0.470 7.994 ( -1.641 0.000 0.000) 1.641 8.163 ( -0.188 0.000 0.000) 0.188 8.491 ( -0.813 0.000 0.000) 0.813 8.618 ( -9.244 0.000 0.000) 9.244 9.185 ( -4.765 0.000 0.000) 4.765 9.439 ( -2.491 0.000 0.000) 2.491 9.582 ( 0.857 0.000 0.000) 0.857 9.867 ( 0.276 0.000 0.000) 0.276 10.014 ( 2.644 0.000 0.000) 2.644 10.283 ( 0.295 0.000 0.000) 0.295 10.340 ( -3.997 0.000 0.000) 3.997 10.534 ( -3.254 0.000 0.000) 3.254 11.440 ( 4.250 0.000 0.000) 4.250 11.965 ( 10.549 0.000 0.000) 10.549 12.038 ( -11.337 0.000 0.000) 11.337 12.624 ( 3.484 0.000 0.000) 3.484 13.069 ( -2.647 0.000 0.000) 2.647 13.085 ( -1.887 0.000 0.000) 1.887 14.558 ( 1.793 0.000 0.000) 1.793 14.656 ( -0.488 0.000 0.000) 0.488 16.989 ( -1.463 0.000 0.000) 1.463 17.485 ( -1.106 0.000 0.000) 1.106 17.778 ( 0.937 0.000 0.000) 0.937 18.097 ( -7.207 0.000 0.000) 7.207 18.204 ( 1.085 0.000 0.000) 1.085 18.516 ( 0.557 0.000 0.000) 0.557 18.539 ( 0.086 0.000 0.000) 0.086 18.926 ( -0.958 0.000 0.000) 0.958 19.034 ( -1.330 0.000 0.000) 1.330 19.307 ( -8.862 0.000 0.000) 8.862 19.389 ( -0.841 0.000 0.000) 0.841 20.074 ( -2.965 0.000 0.000) 2.965 ======================= Grid point 5 (6/105) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.192 0.000 0.000) 0.192 1.960 ( 10.414 0.000 0.000) 10.414 2.172 ( 14.473 0.000 0.000) 14.473 2.339 ( 2.663 0.000 0.000) 2.663 2.425 ( 0.405 0.000 0.000) 0.405 2.546 ( 2.387 0.000 0.000) 2.387 3.131 ( 2.844 0.000 0.000) 2.844 3.203 ( 2.494 0.000 0.000) 2.494 3.206 ( -0.899 0.000 0.000) 0.899 3.214 ( 16.515 0.000 0.000) 16.515 3.294 ( -1.793 0.000 0.000) 1.793 3.335 ( -3.513 0.000 0.000) 3.513 3.395 ( -4.381 0.000 0.000) 4.381 3.763 ( -1.618 0.000 0.000) 1.618 3.786 ( 2.175 0.000 0.000) 2.175 3.815 ( -3.388 0.000 0.000) 3.388 3.963 ( -12.562 0.000 0.000) 12.562 4.342 ( -2.526 0.000 0.000) 2.526 4.362 ( 1.311 0.000 0.000) 1.311 4.585 ( -8.689 0.000 0.000) 8.689 5.195 ( 9.762 0.000 0.000) 9.762 5.323 ( 6.630 0.000 0.000) 6.630 5.352 ( 10.904 0.000 0.000) 10.904 5.474 ( 1.774 0.000 0.000) 1.774 5.829 ( 7.924 0.000 0.000) 7.924 6.955 ( 3.781 0.000 0.000) 3.781 7.179 ( -3.898 0.000 0.000) 3.898 7.299 ( 0.298 0.000 0.000) 0.298 7.963 ( -1.255 0.000 0.000) 1.255 8.164 ( 0.226 0.000 0.000) 0.226 8.476 ( -4.466 0.000 0.000) 4.466 8.477 ( -0.445 0.000 0.000) 0.445 9.104 ( -2.873 0.000 0.000) 2.873 9.394 ( -1.645 0.000 0.000) 1.645 9.566 ( -1.449 0.000 0.000) 1.449 9.872 ( 0.214 0.000 0.000) 0.214 10.076 ( 2.675 0.000 0.000) 2.675 10.259 ( -3.317 0.000 0.000) 3.317 10.290 ( 0.254 0.000 0.000) 0.254 10.478 ( -2.008 0.000 0.000) 2.008 11.521 ( 3.642 0.000 0.000) 3.642 11.843 ( -7.341 0.000 0.000) 7.341 12.153 ( 7.007 0.000 0.000) 7.007 12.669 ( 0.904 0.000 0.000) 0.904 13.022 ( -1.641 0.000 0.000) 1.641 13.055 ( -1.045 0.000 0.000) 1.045 14.584 ( 0.791 0.000 0.000) 0.791 14.648 ( -0.226 0.000 0.000) 0.226 16.965 ( -0.823 0.000 0.000) 0.823 17.468 ( -0.527 0.000 0.000) 0.527 17.793 ( 0.471 0.000 0.000) 0.471 17.969 ( -4.657 0.000 0.000) 4.657 18.221 ( 0.584 0.000 0.000) 0.584 18.527 ( 0.458 0.000 0.000) 0.458 18.539 ( -0.091 0.000 0.000) 0.091 18.912 ( -0.478 0.000 0.000) 0.478 19.017 ( -0.261 0.000 0.000) 0.261 19.154 ( -5.563 0.000 0.000) 5.563 19.379 ( -0.255 0.000 0.000) 0.255 20.025 ( -1.655 0.000 0.000) 1.655 ======================= Grid point 6 (7/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.246 ( -0.000 0.000 0.000) 0.000 3.255 ( -0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.689 ( -0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 4.369 ( -0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.292 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 11.571 ( 0.000 0.000 0.000) 0.000 11.755 ( -0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.674 ( 0.000 0.000 0.000) 0.000 13.005 ( 0.000 0.000 0.000) 0.000 13.043 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 14.646 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 17.463 ( 0.000 0.000 0.000) 0.000 17.797 ( 0.000 0.000 0.000) 0.000 17.918 ( 0.000 0.000 0.000) 0.000 18.227 ( 0.000 0.000 0.000) 0.000 18.534 ( 0.000 0.000 0.000) 0.000 18.535 ( -0.000 0.000 0.000) 0.000 18.907 ( 0.000 0.000 0.000) 0.000 19.019 ( 0.000 0.000 0.000) 0.000 19.090 ( 0.000 0.000 0.000) 0.000 19.376 ( 0.000 0.000 0.000) 0.000 20.008 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/105) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 0.440 ( 0.000 22.838 0.000) 22.838 0.523 ( 0.000 26.763 0.000) 26.763 0.804 ( 0.000 39.712 0.000) 39.712 1.327 ( 0.000 -19.178 0.000) 19.178 1.486 ( 0.000 -23.111 0.000) 23.111 2.214 ( 0.000 17.468 0.000) 17.468 2.246 ( 0.000 -28.754 0.000) 28.754 2.361 ( 0.000 21.338 0.000) 21.338 2.790 ( 0.000 -10.825 0.000) 10.825 3.118 ( 0.000 4.034 0.000) 4.034 3.143 ( 0.000 -17.217 0.000) 17.217 3.270 ( 0.000 -2.316 0.000) 2.316 3.399 ( 0.000 6.854 0.000) 6.854 3.431 ( 0.000 1.668 0.000) 1.668 3.685 ( 0.000 2.021 0.000) 2.021 3.797 ( 0.000 -0.243 0.000) 0.243 4.010 ( 0.000 7.251 0.000) 7.251 4.176 ( 0.000 13.842 0.000) 13.842 4.465 ( 0.000 -9.601 0.000) 9.601 4.736 ( 0.000 -13.861 0.000) 13.861 5.044 ( 0.000 2.573 0.000) 2.573 5.099 ( 0.000 -0.133 0.000) 0.133 5.171 ( 0.000 2.126 0.000) 2.126 5.267 ( 0.000 -2.368 0.000) 2.368 5.697 ( 0.000 19.545 0.000) 19.545 6.372 ( 0.000 -9.716 0.000) 9.716 7.418 ( 0.000 1.439 0.000) 1.439 7.519 ( 0.000 -2.611 0.000) 2.611 8.133 ( 0.000 3.221 0.000) 3.221 8.133 ( 0.000 1.722 0.000) 1.722 8.233 ( 0.000 -2.486 0.000) 2.486 8.416 ( 0.000 -10.174 0.000) 10.174 9.286 ( 0.000 4.840 0.000) 4.840 9.483 ( 0.000 -3.273 0.000) 3.273 9.503 ( 0.000 -2.496 0.000) 2.496 9.519 ( 0.000 -1.311 0.000) 1.311 10.061 ( 0.000 18.140 0.000) 18.140 10.367 ( 0.000 1.957 0.000) 1.957 10.541 ( 0.000 -6.495 0.000) 6.495 10.647 ( 0.000 -8.877 0.000) 8.877 10.978 ( 0.000 7.341 0.000) 7.341 11.214 ( 0.000 -3.599 0.000) 3.599 13.076 ( 0.000 2.582 0.000) 2.582 13.201 ( 0.000 0.958 0.000) 0.958 13.209 ( 0.000 -2.892 0.000) 2.892 13.246 ( 0.000 -0.876 0.000) 0.876 14.249 ( 0.000 2.170 0.000) 2.170 14.345 ( 0.000 -1.778 0.000) 1.778 17.144 ( 0.000 4.456 0.000) 4.456 17.440 ( 0.000 -9.793 0.000) 9.793 17.837 ( 0.000 8.639 0.000) 8.639 18.078 ( 0.000 -3.389 0.000) 3.389 18.491 ( 0.000 0.604 0.000) 0.604 18.519 ( 0.000 -0.541 0.000) 0.541 19.040 ( 0.000 0.470 0.000) 0.470 19.064 ( 0.000 -0.483 0.000) 0.483 19.539 ( 0.000 0.536 0.000) 0.536 19.566 ( 0.000 -0.586 0.000) 0.586 19.887 ( 0.000 0.485 0.000) 0.485 19.909 ( 0.000 -0.420 0.000) 0.420 ======================= Grid point 14 (9/105) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 14.646 15.576 0.000) 21.380 0.693 ( 14.313 20.032 0.000) 24.620 1.116 ( 22.907 22.115 0.000) 31.840 1.435 ( 9.974 -15.574 0.000) 18.495 1.551 ( 5.986 -21.998 0.000) 22.798 2.238 ( 5.264 10.214 0.000) 11.490 2.349 ( 6.590 -16.264 0.000) 17.548 2.406 ( 4.237 20.667 0.000) 21.097 2.849 ( 4.777 -9.446 0.000) 10.585 3.155 ( 2.472 -2.040 0.000) 3.205 3.172 ( 2.738 -17.320 0.000) 17.535 3.348 ( 3.833 3.327 0.000) 5.075 3.445 ( 1.070 -0.987 0.000) 1.456 3.491 ( 6.079 -4.443 0.000) 7.529 3.721 ( 3.551 1.652 0.000) 3.917 3.818 ( 2.767 -1.603 0.000) 3.198 4.078 ( 6.466 7.609 0.000) 9.985 4.144 ( -3.031 14.452 0.000) 14.766 4.463 ( 0.813 -6.944 0.000) 6.992 4.711 ( -2.466 -13.677 0.000) 13.898 4.791 ( -8.716 18.271 0.000) 20.243 5.107 ( -0.475 -2.554 0.000) 2.598 5.115 ( -5.363 2.552 0.000) 5.940 5.227 ( -3.823 -2.630 0.000) 4.641 5.681 ( -1.337 19.653 0.000) 19.698 6.392 ( 1.913 -10.838 0.000) 11.005 7.403 ( -1.422 1.101 0.000) 1.798 7.497 ( -2.078 -3.027 0.000) 3.672 8.090 ( 5.652 9.271 0.000) 10.858 8.129 ( -0.269 4.075 0.000) 4.083 8.423 ( 0.570 -9.540 0.000) 9.557 8.858 ( 15.696 -38.412 0.000) 41.495 9.346 ( 4.686 3.437 0.000) 5.811 9.479 ( -2.322 -1.112 0.000) 2.574 9.509 ( -0.944 -2.290 0.000) 2.477 9.568 ( 11.056 -8.751 0.000) 14.100 10.056 ( -0.457 17.478 0.000) 17.484 10.357 ( -0.816 2.234 0.000) 2.378 10.519 ( -2.027 -4.629 0.000) 5.053 10.632 ( -1.470 -8.807 0.000) 8.929 11.083 ( 8.557 5.374 0.000) 10.104 11.284 ( 6.412 -3.316 0.000) 7.219 12.756 ( -20.074 17.411 0.000) 26.573 12.961 ( -13.979 0.230 0.000) 13.981 13.191 ( -0.956 0.861 0.000) 1.287 13.231 ( -1.360 -0.797 0.000) 1.576 14.325 ( 5.953 2.858 0.000) 6.603 14.535 ( 8.077 -9.469 0.000) 12.446 17.133 ( -1.004 4.488 0.000) 4.599 17.431 ( -0.798 -9.826 0.000) 9.858 17.842 ( 0.502 8.714 0.000) 8.729 18.088 ( 0.885 -3.467 0.000) 3.578 18.493 ( 0.221 0.594 0.000) 0.633 18.521 ( 0.173 -0.533 0.000) 0.560 18.889 ( -18.842 21.138 0.000) 28.317 19.025 ( -1.425 0.436 0.000) 1.490 19.138 ( -5.080 4.819 0.000) 7.002 19.486 ( -6.798 -5.398 0.000) 8.680 19.892 ( -1.856 3.334 0.000) 3.816 20.129 ( 4.969 -9.265 0.000) 10.513 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 17.969 8.193 0.000) 19.748 1.046 ( 18.767 12.760 0.000) 22.694 1.456 ( 8.685 -9.017 0.000) 12.519 1.721 ( 9.914 -19.033 0.000) 21.460 1.783 ( 21.276 6.373 0.000) 22.210 2.401 ( 6.799 19.413 0.000) 20.569 2.508 ( 10.654 -17.185 0.000) 20.219 2.533 ( 7.857 18.622 0.000) 20.211 2.957 ( 5.051 -6.229 0.000) 8.019 3.190 ( 0.713 -3.941 0.000) 4.005 3.250 ( 4.435 -17.385 0.000) 17.942 3.429 ( 1.779 -8.280 0.000) 8.469 3.456 ( 1.573 4.608 0.000) 4.869 3.562 ( 1.470 0.284 0.000) 1.497 3.827 ( 5.771 2.428 0.000) 6.261 3.944 ( 9.122 -2.709 0.000) 9.516 4.058 ( -4.960 15.644 0.000) 16.411 4.269 ( 11.847 5.934 0.000) 13.250 4.541 ( 6.766 -5.077 0.000) 8.459 4.629 ( -5.649 -13.058 0.000) 14.228 4.762 ( 4.695 13.296 0.000) 14.101 4.958 ( -9.373 3.786 0.000) 10.109 5.111 ( -7.263 -3.241 0.000) 7.953 5.130 ( 3.687 -4.370 0.000) 5.718 5.649 ( -1.558 19.720 0.000) 19.782 6.449 ( 3.381 -13.980 0.000) 14.384 7.364 ( -2.212 0.496 0.000) 2.267 7.437 ( -3.506 -3.391 0.000) 4.878 8.125 ( -0.142 6.033 0.000) 6.034 8.200 ( 3.234 8.439 0.000) 9.038 8.435 ( 0.460 -8.082 0.000) 8.095 8.870 ( -7.473 -22.954 0.000) 24.140 9.411 ( -4.129 0.631 0.000) 4.177 9.457 ( 6.825 6.868 0.000) 9.682 9.480 ( -1.881 -3.280 0.000) 3.781 9.807 ( 8.473 -12.379 0.000) 15.001 10.042 ( -0.828 15.853 0.000) 15.875 10.334 ( -1.430 2.659 0.000) 3.019 10.466 ( -2.814 -1.847 0.000) 3.366 10.588 ( -2.656 -8.580 0.000) 8.982 11.263 ( 7.717 5.139 0.000) 9.271 11.460 ( 9.836 -3.511 0.000) 10.443 12.517 ( -4.269 7.453 0.000) 8.589 12.645 ( -15.155 0.132 0.000) 15.155 13.162 ( -1.727 0.600 0.000) 1.828 13.191 ( -2.436 -0.573 0.000) 2.503 14.446 ( 5.051 2.916 0.000) 5.832 14.624 ( 1.770 -5.262 0.000) 5.552 17.105 ( -1.599 4.587 0.000) 4.857 17.409 ( -1.290 -9.844 0.000) 9.928 17.857 ( 0.890 8.808 0.000) 8.853 18.112 ( 1.338 -3.638 0.000) 3.876 18.500 ( 0.398 0.553 0.000) 0.681 18.525 ( 0.269 -0.500 0.000) 0.568 18.589 ( -10.749 18.171 0.000) 21.113 18.983 ( -2.577 -0.686 0.000) 2.667 19.095 ( -1.427 0.027 0.000) 1.428 19.330 ( -7.460 -11.254 0.000) 13.502 19.824 ( -4.398 8.645 0.000) 9.699 20.145 ( -1.812 -6.423 0.000) 6.674 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 17.276 3.767 0.000) 17.682 1.450 ( 19.682 8.265 0.000) 21.347 1.587 ( 5.063 -5.343 0.000) 7.361 1.943 ( 10.952 -14.559 0.000) 18.218 2.144 ( 12.050 3.782 0.000) 12.629 2.484 ( 2.445 5.450 0.000) 5.973 2.727 ( 10.728 15.012 0.000) 18.451 2.769 ( 12.358 -2.285 0.000) 12.568 3.045 ( 3.169 -2.854 0.000) 4.265 3.194 ( -0.064 -4.723 0.000) 4.724 3.342 ( 3.942 -16.045 0.000) 16.522 3.390 ( -2.850 -10.577 0.000) 10.954 3.520 ( 1.657 6.734 0.000) 6.935 3.602 ( 3.221 1.593 0.000) 3.594 3.912 ( 1.686 5.810 0.000) 6.050 3.954 ( -4.591 15.132 0.000) 15.813 4.140 ( 8.143 -3.625 0.000) 8.914 4.465 ( -10.299 -10.859 0.000) 14.966 4.574 ( 17.124 2.929 0.000) 17.373 4.733 ( 11.909 -4.105 0.000) 12.597 4.745 ( -10.582 4.632 0.000) 11.551 4.933 ( -9.535 -3.920 0.000) 10.310 4.950 ( 12.192 9.405 0.000) 15.398 5.284 ( 10.893 -5.324 0.000) 12.124 5.626 ( -0.438 19.549 0.000) 19.554 6.528 ( 4.131 -18.333 0.000) 18.793 7.314 ( -2.686 -0.286 0.000) 2.701 7.360 ( -3.531 -2.232 0.000) 4.177 8.122 ( -0.118 8.137 0.000) 8.138 8.220 ( -0.612 5.949 0.000) 5.981 8.441 ( 0.093 -6.448 0.000) 6.449 8.679 ( -9.540 -14.903 0.000) 17.695 9.314 ( -4.973 1.921 0.000) 5.331 9.432 ( -2.632 -4.183 0.000) 4.942 9.606 ( 6.413 8.290 0.000) 10.481 9.923 ( 3.552 -6.081 0.000) 7.042 10.023 ( -0.941 13.915 0.000) 13.947 10.302 ( -1.464 2.067 0.000) 2.533 10.404 ( -3.187 -1.278 0.000) 3.434 10.525 ( -3.243 -8.162 0.000) 8.782 11.392 ( 4.841 5.144 0.000) 7.063 11.660 ( 8.521 -6.399 0.000) 10.656 12.365 ( -10.439 4.700 0.000) 11.449 12.515 ( 2.281 -1.678 0.000) 2.832 13.121 ( -2.174 0.268 0.000) 2.190 13.134 ( -2.856 -0.268 0.000) 2.869 14.528 ( 2.915 2.138 0.000) 3.615 14.641 ( 0.179 -2.636 0.000) 2.642 17.070 ( -1.690 4.745 0.000) 5.037 17.381 ( -1.308 -9.828 0.000) 9.914 17.877 ( 0.981 8.825 0.000) 8.880 18.140 ( 1.335 -3.811 0.000) 4.038 18.391 ( -8.866 13.473 0.000) 16.128 18.509 ( 0.493 0.467 0.000) 0.679 18.531 ( 0.257 -0.428 0.000) 0.499 18.916 ( -3.877 -5.213 0.000) 6.497 19.064 ( -1.541 -0.159 0.000) 1.549 19.192 ( -5.643 -11.524 0.000) 12.832 19.726 ( -4.644 12.277 0.000) 13.126 20.088 ( -3.233 -5.589 0.000) 6.456 ======================= Grid point 17 (12/105) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.533 2.258 0.000) 6.912 1.722 ( 11.635 2.110 0.000) 11.824 1.851 ( 18.477 4.895 0.000) 19.115 2.156 ( 9.104 -8.714 0.000) 12.602 2.291 ( 2.895 -2.020 0.000) 3.530 2.519 ( 1.043 -2.126 0.000) 2.368 2.975 ( 7.793 2.094 0.000) 8.069 2.975 ( 11.556 7.679 0.000) 13.875 3.093 ( 2.101 -1.276 0.000) 2.458 3.191 ( -0.113 -4.124 0.000) 4.126 3.342 ( -1.539 -6.367 0.000) 6.551 3.394 ( 0.826 -9.897 0.000) 9.931 3.528 ( -0.269 9.976 0.000) 9.980 3.682 ( 3.861 -1.320 0.000) 4.080 3.883 ( -2.267 8.825 0.000) 9.112 3.903 ( -1.892 7.954 0.000) 8.176 4.207 ( -13.911 -6.414 0.000) 15.318 4.254 ( 3.078 -5.829 0.000) 6.591 4.532 ( -9.585 4.234 0.000) 10.479 4.730 ( -9.621 -4.345 0.000) 10.557 4.938 ( 16.606 1.992 0.000) 16.725 5.025 ( 14.942 -2.544 0.000) 15.156 5.216 ( 12.371 7.806 0.000) 14.628 5.542 ( 12.705 -6.084 0.000) 14.086 5.634 ( 1.157 19.228 0.000) 19.263 6.614 ( 3.971 -22.489 0.000) 22.837 7.244 ( -3.883 -0.192 0.000) 3.888 7.307 ( -1.610 -1.125 0.000) 1.964 8.119 ( -0.225 10.083 0.000) 10.086 8.201 ( -0.848 4.011 0.000) 4.100 8.440 ( -0.108 -5.057 0.000) 5.058 8.505 ( -6.805 -9.705 0.000) 11.853 9.213 ( -4.546 2.679 0.000) 5.277 9.375 ( -2.738 -5.035 0.000) 5.731 9.687 ( 1.088 9.148 0.000) 9.213 9.983 ( 2.650 -3.606 0.000) 4.475 10.006 ( -0.726 12.129 0.000) 12.151 10.283 ( -0.284 0.363 0.000) 0.461 10.331 ( -3.727 -0.978 0.000) 3.854 10.459 ( -2.975 -7.583 0.000) 8.146 11.473 ( 3.258 3.637 0.000) 4.883 11.767 ( 0.947 -11.022 0.000) 11.063 12.243 ( -0.715 11.687 0.000) 11.709 12.578 ( 3.006 -4.759 0.000) 5.628 13.071 ( -2.533 0.234 0.000) 2.544 13.083 ( -1.996 -0.237 0.000) 2.010 14.572 ( 1.488 1.370 0.000) 2.022 14.640 ( -0.101 -1.465 0.000) 1.468 17.038 ( -1.371 4.937 0.000) 5.124 17.357 ( -0.972 -9.854 0.000) 9.902 17.895 ( 0.781 8.825 0.000) 8.859 18.165 ( 1.032 -3.946 0.000) 4.078 18.216 ( -7.747 11.772 0.000) 14.092 18.520 ( 0.483 0.336 0.000) 0.588 18.535 ( 0.152 -0.313 0.000) 0.348 18.828 ( -4.334 -12.354 0.000) 13.092 19.034 ( -1.250 0.037 0.000) 1.250 19.094 ( -3.920 -6.999 0.000) 8.022 19.645 ( -2.962 13.818 0.000) 14.132 20.023 ( -2.793 -5.271 0.000) 5.965 ======================= Grid point 18 (13/105) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.363 8.146 0.000) 8.259 1.982 ( 11.116 0.528 0.000) 11.128 2.190 ( 13.150 1.867 0.000) 13.282 2.292 ( -2.327 -6.634 0.000) 7.030 2.306 ( 5.076 -3.083 0.000) 5.939 2.534 ( 0.541 -6.991 0.000) 7.012 3.014 ( -0.863 -1.824 0.000) 2.018 3.150 ( 1.830 -2.982 0.000) 3.499 3.210 ( 2.502 -0.252 0.000) 2.515 3.255 ( 13.456 3.754 0.000) 13.970 3.318 ( -1.122 -1.747 0.000) 2.076 3.386 ( -0.960 -1.301 0.000) 1.617 3.521 ( -0.295 12.093 0.000) 12.096 3.749 ( 2.503 -2.028 0.000) 3.221 3.823 ( -4.947 1.058 0.000) 5.059 3.858 ( -2.105 8.476 0.000) 8.734 3.927 ( -11.685 -3.212 0.000) 12.119 4.289 ( 0.767 -7.505 0.000) 7.544 4.381 ( -3.734 3.588 0.000) 5.178 4.546 ( -7.880 -3.631 0.000) 8.676 5.219 ( 9.706 1.872 0.000) 9.884 5.288 ( 9.073 -1.925 0.000) 9.275 5.436 ( 8.308 7.145 0.000) 10.958 5.666 ( 1.540 18.905 0.000) 18.967 5.766 ( 7.954 -6.328 0.000) 10.165 6.684 ( 2.571 -25.187 0.000) 25.318 7.171 ( -2.761 1.597 0.000) 3.190 7.284 ( -0.750 -2.164 0.000) 2.290 8.114 ( -0.195 11.664 0.000) 11.666 8.191 ( -0.082 2.910 0.000) 2.911 8.402 ( -3.202 -6.494 0.000) 7.240 8.438 ( -0.101 -4.158 0.000) 4.159 9.135 ( -2.758 3.082 0.000) 4.136 9.326 ( -1.798 -5.653 0.000) 5.932 9.673 ( -1.507 9.709 0.000) 9.825 9.994 ( -0.347 10.835 0.000) 10.840 10.028 ( 1.363 -5.164 0.000) 5.340 10.263 ( -2.281 0.443 0.000) 2.323 10.285 ( 0.152 -0.455 0.000) 0.479 10.408 ( -1.802 -7.028 0.000) 7.255 11.534 ( 2.663 1.586 0.000) 3.099 11.727 ( -3.309 -8.222 0.000) 8.863 12.293 ( 3.687 10.716 0.000) 11.332 12.623 ( 1.252 -4.710 0.000) 4.874 13.027 ( -1.551 0.467 0.000) 1.620 13.050 ( -1.130 -0.461 0.000) 1.220 14.593 ( 0.643 0.906 0.000) 1.111 14.638 ( -0.074 -0.951 0.000) 0.954 17.015 ( -0.763 5.099 0.000) 5.156 17.342 ( -0.497 -9.922 0.000) 9.935 17.908 ( 0.419 8.841 0.000) 8.851 18.082 ( -4.738 11.432 0.000) 12.375 18.182 ( 0.557 -4.031 0.000) 4.069 18.529 ( 0.375 0.175 0.000) 0.414 18.537 ( -0.013 -0.164 0.000) 0.164 18.750 ( -2.880 -17.376 0.000) 17.613 19.012 ( -0.904 -0.391 0.000) 0.985 19.031 ( -1.964 -2.608 0.000) 3.265 19.603 ( -1.191 13.987 0.000) 14.038 19.978 ( -1.513 -4.967 0.000) 5.192 ======================= Grid point 19 (14/105) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 1.703 ( 0.000 9.723 0.000) 9.723 2.134 ( 0.000 6.154 0.000) 6.154 2.232 ( -0.000 -14.406 0.000) 14.406 2.340 ( 0.000 0.176 0.000) 0.176 2.359 ( 0.000 -0.681 0.000) 0.681 2.541 ( 0.000 -8.577 0.000) 8.577 2.999 ( 0.000 -1.270 0.000) 1.270 3.163 ( 0.000 -5.470 0.000) 5.470 3.255 ( 0.000 1.243 0.000) 1.243 3.296 ( 0.000 0.450 0.000) 0.450 3.371 ( 0.000 2.407 0.000) 2.407 3.457 ( 0.000 -1.019 0.000) 1.019 3.517 ( 0.000 13.024 0.000) 13.024 3.706 ( -0.000 1.628 0.000) 1.628 3.780 ( 0.000 -3.005 0.000) 3.005 3.795 ( 0.000 -2.199 0.000) 2.199 3.830 ( 0.000 9.345 0.000) 9.345 4.296 ( 0.000 -8.060 0.000) 8.060 4.376 ( -0.000 0.778 0.000) 0.778 4.433 ( 0.000 -1.765 0.000) 1.765 5.323 ( 0.000 1.650 0.000) 1.650 5.381 ( 0.000 -1.055 0.000) 1.055 5.529 ( 0.000 6.260 0.000) 6.260 5.684 ( 0.000 18.763 0.000) 18.763 5.851 ( 0.000 -6.258 0.000) 6.258 6.712 ( 0.000 -26.027 0.000) 26.027 7.140 ( 0.000 2.361 0.000) 2.361 7.275 ( 0.000 -2.814 0.000) 2.814 8.112 ( 0.000 12.309 0.000) 12.309 8.192 ( 0.000 2.551 0.000) 2.551 8.369 ( 0.000 -5.363 0.000) 5.363 8.437 ( 0.000 -3.853 0.000) 3.853 9.105 ( 0.000 3.225 0.000) 3.225 9.306 ( 0.000 -5.876 0.000) 5.876 9.654 ( 0.000 9.778 0.000) 9.778 9.991 ( 0.000 10.352 0.000) 10.352 10.040 ( 0.000 -6.580 0.000) 6.580 10.240 ( 0.000 1.537 0.000) 1.537 10.287 ( 0.000 -0.569 0.000) 0.569 10.389 ( 0.000 -6.792 0.000) 6.792 11.571 ( 0.000 0.226 0.000) 0.226 11.681 ( -0.000 -5.608 0.000) 5.608 12.339 ( 0.000 9.063 0.000) 9.063 12.634 ( 0.000 -4.199 0.000) 4.199 13.011 ( 0.000 0.562 0.000) 0.562 13.038 ( 0.000 -0.552 0.000) 0.552 14.600 ( 0.000 0.755 0.000) 0.755 14.638 ( 0.000 -0.800 0.000) 0.800 17.007 ( 0.000 5.162 0.000) 5.162 17.337 ( 0.000 -9.959 0.000) 9.959 17.912 ( 0.000 8.852 0.000) 8.852 18.031 ( 0.000 11.431 0.000) 11.431 18.188 ( 0.000 -4.060 0.000) 4.060 18.534 ( 0.000 0.014 0.000) 0.014 18.535 ( -0.000 -0.007 0.000) 0.007 18.719 ( 0.000 -18.948 0.000) 18.948 18.999 ( 0.000 -1.247 0.000) 1.247 19.013 ( -0.000 -0.527 0.000) 0.527 19.591 ( 0.000 13.921 0.000) 13.921 19.962 ( 0.000 -4.816 0.000) 4.816 ======================= Grid point 26 (15/105) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 0.873 ( 0.000 -21.774 0.000) 21.774 0.873 ( 0.000 21.774 0.000) 21.774 1.023 ( 0.000 -25.110 0.000) 25.110 1.023 ( 0.000 25.110 0.000) 25.110 1.600 ( 0.000 -36.774 0.000) 36.774 1.600 ( 0.000 36.774 0.000) 36.774 2.534 ( 0.000 -15.258 0.000) 15.258 2.534 ( 0.000 15.258 0.000) 15.258 2.769 ( 0.000 -20.801 0.000) 20.801 2.769 ( 0.000 20.801 0.000) 20.801 3.207 ( 0.000 -4.225 0.000) 4.225 3.207 ( 0.000 4.225 0.000) 4.225 3.454 ( 0.000 -0.043 0.000) 0.043 3.454 ( 0.000 0.043 0.000) 0.043 3.743 ( 0.000 -3.813 0.000) 3.813 3.743 ( 0.000 3.813 0.000) 3.813 4.234 ( 0.000 -13.424 0.000) 13.424 4.234 ( 0.000 13.424 0.000) 13.424 4.459 ( 0.000 -14.806 0.000) 14.806 4.459 ( 0.000 14.806 0.000) 14.806 5.085 ( 0.000 -1.445 0.000) 1.445 5.085 ( 0.000 1.445 0.000) 1.445 5.216 ( 0.000 -2.651 0.000) 2.651 5.216 ( 0.000 2.651 0.000) 2.651 6.089 ( 0.000 -19.074 0.000) 19.074 6.089 ( 0.000 19.074 0.000) 19.074 7.461 ( 0.000 -2.918 0.000) 2.918 7.461 ( 0.000 2.918 0.000) 2.918 8.179 ( 0.000 -2.854 0.000) 2.854 8.179 ( 0.000 2.854 0.000) 2.854 8.234 ( 0.000 -7.578 0.000) 7.578 8.234 ( 0.000 7.578 0.000) 7.578 9.394 ( 0.000 -5.664 0.000) 5.664 9.394 ( 0.000 5.664 0.000) 5.664 9.494 ( 0.000 -0.923 0.000) 0.923 9.494 ( 0.000 0.923 0.000) 0.923 10.403 ( 0.000 -16.068 0.000) 16.068 10.403 ( 0.000 16.068 0.000) 16.068 10.429 ( 0.000 -4.635 0.000) 4.635 10.429 ( 0.000 4.635 0.000) 4.635 11.116 ( 0.000 -6.440 0.000) 6.440 11.116 ( 0.000 6.440 0.000) 6.440 13.141 ( 0.000 -3.829 0.000) 3.829 13.141 ( 0.000 3.829 0.000) 3.829 13.224 ( 0.000 -1.294 0.000) 1.294 13.224 ( 0.000 1.294 0.000) 1.294 14.299 ( 0.000 -2.753 0.000) 2.753 14.299 ( 0.000 2.753 0.000) 2.753 17.266 ( 0.000 -7.993 0.000) 7.993 17.266 ( 0.000 7.993 0.000) 7.993 17.983 ( 0.000 -6.415 0.000) 6.415 17.983 ( 0.000 6.415 0.000) 6.415 18.505 ( 0.000 -0.802 0.000) 0.802 18.505 ( 0.000 0.802 0.000) 0.802 19.052 ( 0.000 -0.674 0.000) 0.674 19.052 ( 0.000 0.674 0.000) 0.674 19.552 ( 0.000 -0.788 0.000) 0.788 19.552 ( 0.000 0.788 0.000) 0.788 19.898 ( 0.000 -0.636 0.000) 0.636 19.898 ( 0.000 0.636 0.000) 0.636 ======================= Grid point 28 (16/105) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 8.398 -19.712 0.000) 21.426 0.971 ( 8.398 19.712 0.000) 21.426 1.116 ( 8.621 -22.878 0.000) 24.448 1.116 ( 8.621 22.878 0.000) 24.448 1.767 ( 14.634 -30.793 0.000) 34.093 1.767 ( 14.634 30.793 0.000) 34.093 2.599 ( 5.921 -15.510 0.000) 16.601 2.599 ( 5.921 15.510 0.000) 16.601 2.802 ( 3.188 -20.342 0.000) 20.590 2.802 ( 3.188 20.342 0.000) 20.590 3.231 ( 1.223 -7.609 0.000) 7.707 3.231 ( 1.223 7.609 0.000) 7.707 3.482 ( 2.652 -1.752 0.000) 3.179 3.482 ( 2.652 1.752 0.000) 3.179 3.768 ( 2.989 -2.989 0.000) 4.227 3.768 ( 2.989 2.989 0.000) 4.227 4.274 ( 4.085 -11.304 0.000) 12.019 4.274 ( 4.085 11.304 0.000) 12.019 4.433 ( -2.429 -14.990 0.000) 15.185 4.433 ( -2.429 14.990 0.000) 15.185 5.020 ( -4.049 -7.117 0.000) 8.188 5.020 ( -4.049 7.117 0.000) 8.188 5.168 ( -4.483 -3.134 0.000) 5.470 5.168 ( -4.483 3.134 0.000) 5.470 6.085 ( -0.312 -20.161 0.000) 20.163 6.085 ( -0.312 20.161 0.000) 20.163 7.438 ( -2.060 -2.607 0.000) 3.322 7.438 ( -2.060 2.607 0.000) 3.322 8.245 ( 0.926 -7.961 0.000) 8.014 8.245 ( 0.926 7.961 0.000) 8.014 8.342 ( 10.350 -17.758 0.000) 20.554 8.342 ( 10.350 17.758 0.000) 20.554 9.445 ( 5.342 -5.899 0.000) 7.959 9.445 ( 5.342 5.899 0.000) 7.959 9.478 ( -1.488 -0.991 0.000) 1.788 9.478 ( -1.488 0.991 0.000) 1.788 10.390 ( -1.210 -15.833 0.000) 15.879 10.390 ( -1.210 15.833 0.000) 15.879 10.423 ( -0.599 -4.525 0.000) 4.564 10.423 ( -0.599 4.525 0.000) 4.564 11.196 ( 7.057 -5.663 0.000) 9.048 11.196 ( 7.057 5.663 0.000) 9.048 12.931 ( -15.973 -4.034 0.000) 16.474 12.931 ( -15.973 4.034 0.000) 16.474 13.211 ( -1.167 -1.170 0.000) 1.653 13.211 ( -1.167 1.170 0.000) 1.653 14.402 ( 7.093 -5.127 0.000) 8.752 14.402 ( 7.093 5.127 0.000) 8.752 17.256 ( -0.910 -8.064 0.000) 8.115 17.256 ( -0.910 8.064 0.000) 8.115 17.991 ( 0.702 -6.547 0.000) 6.585 17.991 ( 0.702 6.547 0.000) 6.585 18.507 ( 0.196 -0.789 0.000) 0.813 18.507 ( 0.196 0.789 0.000) 0.813 19.029 ( -2.701 -0.625 0.000) 2.773 19.029 ( -2.701 0.625 0.000) 2.773 19.334 ( -13.922 -10.527 0.000) 17.454 19.334 ( -13.922 10.527 0.000) 17.454 19.982 ( 3.346 -6.040 0.000) 6.905 19.982 ( 3.346 6.040 0.000) 6.905 ======================= Grid point 30 (17/105) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 11.986 -14.130 0.000) 18.529 1.189 ( 11.986 14.130 0.000) 18.529 1.355 ( 13.734 -18.308 0.000) 22.887 1.355 ( 13.734 18.308 0.000) 22.887 2.107 ( 15.383 -21.371 0.000) 26.331 2.107 ( 15.383 21.371 0.000) 26.331 2.755 ( 8.528 -14.891 0.000) 17.160 2.755 ( 8.528 14.891 0.000) 17.160 2.896 ( 5.690 -18.899 0.000) 19.737 2.896 ( 5.690 18.899 0.000) 19.737 3.225 ( -1.675 -7.545 0.000) 7.729 3.225 ( -1.675 7.545 0.000) 7.729 3.550 ( 3.305 -2.765 0.000) 4.309 3.550 ( 3.305 2.765 0.000) 4.309 3.886 ( 7.941 -3.324 0.000) 8.609 3.886 ( 7.941 3.324 0.000) 8.609 4.357 ( -4.923 -15.018 0.000) 15.804 4.357 ( -4.923 15.018 0.000) 15.804 4.408 ( 8.732 -7.847 0.000) 11.740 4.408 ( 8.732 7.847 0.000) 11.740 4.996 ( 2.691 -9.780 0.000) 10.143 4.996 ( 2.691 9.780 0.000) 10.143 5.035 ( -8.127 -4.259 0.000) 9.176 5.035 ( -8.127 4.259 0.000) 9.176 6.079 ( -0.224 -22.817 0.000) 22.818 6.079 ( -0.224 22.817 0.000) 22.818 7.384 ( -2.869 -1.827 0.000) 3.401 7.384 ( -2.869 1.827 0.000) 3.401 8.268 ( 1.166 -8.493 0.000) 8.573 8.268 ( 1.166 8.493 0.000) 8.573 8.453 ( 0.131 -18.072 0.000) 18.073 8.453 ( 0.131 18.072 0.000) 18.073 9.433 ( -2.871 -1.725 0.000) 3.350 9.433 ( -2.871 1.725 0.000) 3.350 9.606 ( 9.062 -8.808 0.000) 12.637 9.606 ( 9.062 8.808 0.000) 12.637 10.355 ( -2.115 -15.133 0.000) 15.280 10.355 ( -2.115 15.133 0.000) 15.280 10.402 ( -1.537 -4.003 0.000) 4.288 10.402 ( -1.537 4.003 0.000) 4.288 11.370 ( 8.660 -5.517 0.000) 10.268 11.370 ( 8.660 5.517 0.000) 10.268 12.621 ( -12.044 -3.118 0.000) 12.441 12.621 ( -12.044 3.118 0.000) 12.441 13.177 ( -2.092 -0.829 0.000) 2.251 13.177 ( -2.092 0.829 0.000) 2.251 14.522 ( 4.177 -4.893 0.000) 6.433 14.522 ( 4.177 4.893 0.000) 6.433 17.230 ( -1.433 -8.239 0.000) 8.363 17.230 ( -1.433 8.239 0.000) 8.363 18.010 ( 1.106 -6.829 0.000) 6.918 18.010 ( 1.106 6.829 0.000) 6.918 18.513 ( 0.331 -0.738 0.000) 0.809 18.513 ( 0.331 0.738 0.000) 0.809 18.902 ( -9.441 -10.790 0.000) 14.338 18.902 ( -9.441 10.790 0.000) 14.338 19.134 ( -4.784 -6.091 0.000) 7.745 19.134 ( -4.784 6.091 0.000) 7.745 19.994 ( -1.623 -8.691 0.000) 8.841 19.994 ( -1.623 8.691 0.000) 8.841 ======================= Grid point 32 (18/105) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 12.703 -7.347 0.000) 14.675 1.450 ( 12.703 7.347 0.000) 14.675 1.665 ( 15.542 -13.485 0.000) 20.577 1.665 ( 15.542 13.485 0.000) 20.577 2.332 ( 5.800 -13.169 0.000) 14.390 2.332 ( 5.800 13.169 0.000) 14.390 2.937 ( 8.344 -10.468 0.000) 13.387 2.937 ( 8.344 10.468 0.000) 13.387 3.031 ( 7.123 -16.162 0.000) 17.662 3.031 ( 7.123 16.162 0.000) 17.662 3.184 ( -1.566 -5.695 0.000) 5.906 3.184 ( -1.566 5.695 0.000) 5.906 3.609 ( 2.363 -1.782 0.000) 2.959 3.609 ( 2.363 1.782 0.000) 2.959 4.039 ( 5.240 -6.606 0.000) 8.431 4.039 ( 5.240 6.606 0.000) 8.431 4.229 ( -7.314 -13.426 0.000) 15.289 4.229 ( -7.314 13.426 0.000) 15.289 4.647 ( 14.516 -4.455 0.000) 15.184 4.647 ( 14.516 4.455 0.000) 15.184 4.842 ( -10.149 -5.236 0.000) 11.420 4.842 ( -10.149 5.236 0.000) 11.420 5.140 ( 10.543 -9.311 0.000) 14.066 5.140 ( 10.543 9.311 0.000) 14.066 6.081 ( 0.564 -25.705 0.000) 25.712 6.081 ( 0.564 25.705 0.000) 25.712 7.325 ( -2.777 -1.376 0.000) 3.099 7.325 ( -2.777 1.376 0.000) 3.099 8.290 ( 0.933 -8.693 0.000) 8.743 8.290 ( 0.933 8.693 0.000) 8.743 8.399 ( -4.028 -12.604 0.000) 13.232 8.399 ( -4.028 12.604 0.000) 13.232 9.362 ( -3.798 -3.054 0.000) 4.873 9.362 ( -3.798 3.054 0.000) 4.873 9.775 ( 6.527 -8.703 0.000) 10.879 9.775 ( 6.527 8.703 0.000) 10.879 10.306 ( -2.449 -14.034 0.000) 14.246 10.306 ( -2.449 14.034 0.000) 14.246 10.358 ( -2.606 -3.219 0.000) 4.142 10.358 ( -2.606 3.219 0.000) 4.142 11.519 ( 5.175 -7.580 0.000) 9.178 11.519 ( 5.175 7.580 0.000) 9.178 12.458 ( -3.747 -4.296 0.000) 5.700 12.458 ( -3.747 4.296 0.000) 5.700 13.128 ( -2.520 -0.379 0.000) 2.548 13.128 ( -2.520 0.379 0.000) 2.548 14.581 ( 1.779 -3.215 0.000) 3.675 14.581 ( 1.779 3.215 0.000) 3.675 17.199 ( -1.473 -8.477 0.000) 8.604 17.199 ( -1.473 8.477 0.000) 8.604 18.034 ( 1.140 -7.102 0.000) 7.193 18.034 ( 1.140 7.102 0.000) 7.193 18.520 ( 0.370 -0.630 0.000) 0.730 18.520 ( 0.370 0.630 0.000) 0.730 18.695 ( -9.698 -16.120 0.000) 18.813 18.695 ( -9.698 16.120 0.000) 18.813 19.075 ( -1.917 -1.937 0.000) 2.725 19.075 ( -1.917 1.937 0.000) 2.725 19.939 ( -3.230 -9.656 0.000) 10.182 19.939 ( -3.230 9.656 0.000) 10.182 ======================= Grid point 34 (19/105) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 10.730 -3.895 0.000) 11.415 1.698 ( 10.730 3.895 0.000) 11.415 1.982 ( 14.503 -8.460 0.000) 16.791 1.982 ( 14.503 8.460 0.000) 16.791 2.372 ( -0.910 -9.154 0.000) 9.199 2.372 ( -0.910 9.154 0.000) 9.199 3.057 ( 2.249 -4.230 0.000) 4.791 3.057 ( 2.249 4.230 0.000) 4.791 3.185 ( 7.473 -11.385 0.000) 13.618 3.185 ( 7.473 11.385 0.000) 13.618 3.191 ( 2.695 -6.154 0.000) 6.718 3.191 ( 2.695 6.154 0.000) 6.718 3.651 ( 1.764 -3.092 0.000) 3.560 3.651 ( 1.764 3.092 0.000) 3.560 4.057 ( -9.159 -8.799 0.000) 12.701 4.057 ( -9.159 8.799 0.000) 12.701 4.091 ( 0.432 -10.385 0.000) 10.394 4.091 ( 0.432 10.385 0.000) 10.394 4.631 ( -9.640 -5.576 0.000) 11.137 4.631 ( -9.640 5.576 0.000) 11.137 4.980 ( 15.976 -2.217 0.000) 16.129 4.980 ( 15.976 2.217 0.000) 16.129 5.388 ( 12.181 -9.301 0.000) 15.326 5.388 ( 12.181 9.301 0.000) 15.326 6.104 ( 1.595 -27.729 0.000) 27.775 6.104 ( 1.595 27.729 0.000) 27.775 7.270 ( -2.469 -2.214 0.000) 3.317 7.270 ( -2.469 2.214 0.000) 3.317 8.306 ( 0.613 -8.663 0.000) 8.685 8.306 ( 0.613 8.663 0.000) 8.685 8.320 ( -3.103 -8.401 0.000) 8.956 8.320 ( -3.103 8.401 0.000) 8.956 9.282 ( -3.724 -4.367 0.000) 5.739 9.282 ( -3.724 4.367 0.000) 5.739 9.866 ( 2.217 -8.367 0.000) 8.656 9.866 ( 2.217 8.367 0.000) 8.656 10.258 ( -2.106 -12.748 0.000) 12.920 10.258 ( -2.106 12.748 0.000) 12.920 10.304 ( -2.227 -1.598 0.000) 2.741 10.304 ( -2.227 1.598 0.000) 2.741 11.583 ( 1.389 -7.804 0.000) 7.927 11.583 ( 1.389 7.804 0.000) 7.927 12.444 ( 1.627 -8.962 0.000) 9.108 12.444 ( 1.627 8.962 0.000) 9.108 13.077 ( -2.263 -0.333 0.000) 2.288 13.077 ( -2.263 0.333 0.000) 2.288 14.606 ( 0.731 -1.966 0.000) 2.098 14.606 ( 0.731 1.966 0.000) 2.098 17.172 ( -1.150 -8.741 0.000) 8.817 17.172 ( -1.150 8.741 0.000) 8.817 18.056 ( 0.894 -7.309 0.000) 7.364 18.056 ( 0.894 7.309 0.000) 7.364 18.511 ( -7.767 -17.673 0.000) 19.305 18.511 ( -7.767 17.673 0.000) 19.305 18.528 ( 0.313 -0.459 0.000) 0.556 18.528 ( 0.313 0.459 0.000) 0.556 19.040 ( -1.534 -0.762 0.000) 1.713 19.040 ( -1.534 0.762 0.000) 1.713 19.875 ( -2.612 -9.967 0.000) 10.303 19.875 ( -2.612 9.967 0.000) 10.303 ======================= Grid point 36 (20/105) ======================= q-point: ( 0.42 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 6.265 -9.996 0.000) 11.797 1.879 ( 6.265 9.996 0.000) 11.797 2.241 ( 9.587 -3.272 0.000) 10.130 2.241 ( 9.587 3.272 0.000) 10.130 2.335 ( -1.942 -9.842 0.000) 10.031 2.335 ( -1.942 9.842 0.000) 10.031 3.064 ( -0.429 -4.634 0.000) 4.654 3.064 ( -0.429 4.634 0.000) 4.654 3.256 ( 2.566 -3.754 0.000) 4.547 3.256 ( 2.566 3.754 0.000) 4.547 3.335 ( 6.653 -3.896 0.000) 7.710 3.335 ( 6.653 3.896 0.000) 7.710 3.681 ( 1.066 -5.305 0.000) 5.411 3.681 ( 1.066 5.305 0.000) 5.411 3.862 ( -8.881 -3.027 0.000) 9.383 3.862 ( -8.881 3.027 0.000) 9.383 4.085 ( -0.626 -12.942 0.000) 12.957 4.085 ( -0.626 12.942 0.000) 12.957 4.463 ( -5.980 -4.619 0.000) 7.556 4.463 ( -5.980 4.619 0.000) 7.556 5.254 ( 9.483 -1.761 0.000) 9.645 5.254 ( 9.483 1.761 0.000) 9.645 5.605 ( 7.948 -9.540 0.000) 12.417 5.605 ( 7.948 9.540 0.000) 12.417 6.140 ( 1.599 -28.639 0.000) 28.684 6.140 ( 1.599 28.639 0.000) 28.684 7.225 ( -1.696 -3.452 0.000) 3.846 7.225 ( -1.696 3.452 0.000) 3.846 8.276 ( -1.228 -5.808 0.000) 5.937 8.276 ( -1.228 5.808 0.000) 5.937 8.316 ( 0.313 -8.569 0.000) 8.575 8.316 ( 0.313 8.569 0.000) 8.575 9.217 ( -2.339 -5.252 0.000) 5.749 9.217 ( -2.339 5.252 0.000) 5.749 9.877 ( -0.635 -10.134 0.000) 10.154 9.877 ( -0.635 10.134 0.000) 10.154 10.223 ( -1.203 -11.659 0.000) 11.721 10.223 ( -1.203 11.659 0.000) 11.721 10.274 ( -0.658 -0.663 0.000) 0.934 10.274 ( -0.658 0.663 0.000) 0.934 11.595 ( 0.102 -5.029 0.000) 5.030 11.595 ( 0.102 5.029 0.000) 5.030 12.490 ( 2.088 -8.998 0.000) 9.237 12.490 ( 2.088 8.998 0.000) 9.237 13.039 ( -1.338 -0.656 0.000) 1.490 13.039 ( -1.338 0.656 0.000) 1.490 14.616 ( 0.286 -1.293 0.000) 1.325 14.616 ( 0.286 1.293 0.000) 1.325 17.153 ( -0.621 -8.963 0.000) 8.984 17.153 ( -0.621 8.963 0.000) 8.984 18.070 ( 0.484 -7.441 0.000) 7.457 18.070 ( 0.484 7.441 0.000) 7.457 18.381 ( -4.471 -18.698 0.000) 19.225 18.381 ( -4.471 18.698 0.000) 19.225 18.533 ( 0.179 -0.241 0.000) 0.300 18.533 ( 0.179 0.241 0.000) 0.300 19.012 ( -1.016 -0.401 0.000) 1.093 19.012 ( -1.016 0.401 0.000) 1.093 19.835 ( -1.267 -9.843 0.000) 9.924 19.835 ( -1.267 9.843 0.000) 9.924 ======================= Grid point 38 (21/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 -14.540 0.000) 14.540 1.945 ( 0.000 14.540 0.000) 14.540 2.312 ( 0.000 -12.016 0.000) 12.016 2.312 ( 0.000 12.016 0.000) 12.016 2.346 ( 0.000 -0.552 0.000) 0.552 2.346 ( 0.000 0.552 0.000) 0.552 3.058 ( 0.000 -5.111 0.000) 5.111 3.058 ( 0.000 5.111 0.000) 5.111 3.283 ( 0.000 -1.384 0.000) 1.384 3.283 ( 0.000 1.384 0.000) 1.384 3.423 ( 0.000 -2.499 0.000) 2.499 3.423 ( 0.000 2.499 0.000) 2.499 3.693 ( 0.000 -6.182 0.000) 6.182 3.693 ( 0.000 6.182 0.000) 6.182 3.747 ( -0.000 -2.532 0.000) 2.532 3.747 ( 0.000 2.532 0.000) 2.532 4.077 ( 0.000 -13.898 0.000) 13.898 4.077 ( 0.000 13.898 0.000) 13.898 4.399 ( 0.000 -1.585 0.000) 1.585 4.399 ( 0.000 1.585 0.000) 1.585 5.354 ( 0.000 -1.646 0.000) 1.646 5.354 ( 0.000 1.646 0.000) 1.646 5.692 ( 0.000 -9.458 0.000) 9.458 5.692 ( -0.000 9.458 0.000) 9.458 6.159 ( 0.000 -28.841 0.000) 28.841 6.159 ( 0.000 28.841 0.000) 28.841 7.207 ( 0.000 -3.968 0.000) 3.968 7.207 ( 0.000 3.968 0.000) 3.968 8.264 ( 0.000 -4.903 0.000) 4.903 8.264 ( 0.000 4.903 0.000) 4.903 8.319 ( 0.000 -8.520 0.000) 8.520 8.319 ( 0.000 8.520 0.000) 8.520 9.191 ( 0.000 -5.554 0.000) 5.554 9.191 ( 0.000 5.554 0.000) 5.554 9.866 ( 0.000 -10.984 0.000) 10.984 9.866 ( 0.000 10.984 0.000) 10.984 10.210 ( 0.000 -11.223 0.000) 11.223 10.210 ( 0.000 11.223 0.000) 11.223 10.269 ( 0.000 -1.334 0.000) 1.334 10.269 ( 0.000 1.334 0.000) 1.334 11.596 ( 0.000 -2.747 0.000) 2.747 11.596 ( 0.000 2.747 0.000) 2.747 12.514 ( 0.000 -8.167 0.000) 8.167 12.514 ( 0.000 8.167 0.000) 8.167 13.024 ( 0.000 -0.787 0.000) 0.787 13.024 ( 0.000 0.787 0.000) 0.787 14.619 ( 0.000 -1.081 0.000) 1.081 14.619 ( 0.000 1.081 0.000) 1.081 17.147 ( 0.000 -9.051 0.000) 9.051 17.147 ( 0.000 9.051 0.000) 9.051 18.075 ( 0.000 -7.488 0.000) 7.488 18.075 ( 0.000 7.488 0.000) 7.488 18.334 ( 0.000 -19.110 0.000) 19.110 18.334 ( 0.000 19.110 0.000) 19.110 18.535 ( 0.000 -0.016 0.000) 0.016 18.535 ( 0.000 0.016 0.000) 0.016 19.001 ( 0.000 -0.639 0.000) 0.639 19.001 ( 0.000 0.639 0.000) 0.639 19.822 ( 0.000 -9.724 0.000) 9.724 19.822 ( 0.000 9.724 0.000) 9.724 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 0.392 ( 0.000 0.000 22.310) 22.310 0.558 ( 0.000 0.000 27.763) 27.763 1.103 ( 0.000 0.000 55.285) 55.285 1.713 ( 0.000 0.000 10.836) 10.836 1.864 ( 0.000 0.000 1.505) 1.505 1.991 ( 0.000 0.000 3.046) 3.046 2.060 ( 0.000 0.000 5.065) 5.065 2.630 ( 0.000 0.000 3.894) 3.894 2.992 ( 0.000 0.000 8.904) 8.904 3.114 ( 0.000 0.000 -9.503) 9.503 3.241 ( 0.000 0.000 8.105) 8.105 3.243 ( 0.000 0.000 -5.043) 5.043 3.267 ( 0.000 0.000 6.295) 6.295 3.560 ( 0.000 0.000 -9.404) 9.404 3.565 ( 0.000 0.000 9.364) 9.364 3.687 ( 0.000 0.000 -8.643) 8.643 3.794 ( 0.000 0.000 -10.385) 10.385 4.287 ( 0.000 0.000 2.224) 2.224 4.346 ( 0.000 0.000 -9.392) 9.392 4.679 ( 0.000 0.000 -23.317) 23.317 4.763 ( 0.000 0.000 13.295) 13.295 5.176 ( 0.000 0.000 19.349) 19.349 5.280 ( 0.000 0.000 6.727) 6.727 5.300 ( 0.000 0.000 0.288) 0.288 5.872 ( 0.000 0.000 29.368) 29.368 7.097 ( 0.000 0.000 8.462) 8.462 7.409 ( 0.000 0.000 0.249) 0.249 7.546 ( 0.000 0.000 0.105) 0.105 7.875 ( 0.000 0.000 -3.571) 3.571 8.073 ( 0.000 0.000 -2.852) 2.852 8.217 ( 0.000 0.000 -4.338) 4.338 8.544 ( 0.000 0.000 0.885) 0.885 9.273 ( 0.000 0.000 3.774) 3.774 9.519 ( 0.000 0.000 0.515) 0.515 9.543 ( 0.000 0.000 0.900) 0.900 9.596 ( 0.000 0.000 2.601) 2.601 9.954 ( 0.000 0.000 -5.397) 5.397 10.331 ( 0.000 0.000 -1.927) 1.927 10.356 ( 0.000 0.000 5.473) 5.473 10.565 ( 0.000 0.000 -6.200) 6.200 10.631 ( 0.000 0.000 -9.982) 9.982 11.202 ( 0.000 0.000 -4.192) 4.192 12.208 ( 0.000 0.000 -6.963) 6.963 12.874 ( 0.000 0.000 -16.612) 16.612 13.242 ( 0.000 0.000 4.957) 4.957 13.285 ( 0.000 0.000 3.038) 3.038 14.189 ( 0.000 0.000 -3.721) 3.721 14.305 ( 0.000 0.000 -5.294) 5.294 17.523 ( 0.000 0.000 -6.107) 6.107 17.842 ( 0.000 0.000 14.130) 14.130 17.956 ( 0.000 0.000 -10.702) 10.702 18.239 ( 0.000 0.000 0.294) 0.294 18.477 ( 0.000 0.000 -4.799) 4.799 18.618 ( 0.000 0.000 9.568) 9.568 19.083 ( 0.000 0.000 3.042) 3.042 19.135 ( 0.000 0.000 2.827) 2.827 19.463 ( 0.000 0.000 -6.748) 6.748 19.481 ( 0.000 0.000 -8.966) 8.966 19.910 ( 0.000 0.000 -0.379) 0.379 20.105 ( 0.000 0.000 -1.630) 1.630 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 19.395 0.000 14.434) 24.177 0.712 ( 13.020 0.000 21.381) 25.033 1.300 ( 17.632 0.000 42.574) 46.081 1.839 ( 10.992 0.000 8.672) 14.001 1.848 ( -0.201 0.000 -0.122) 0.235 2.042 ( 4.128 0.000 6.593) 7.779 2.110 ( 4.721 0.000 3.977) 6.173 2.673 ( 3.980 0.000 4.617) 6.096 3.068 ( 2.448 0.000 11.216) 11.480 3.129 ( 1.336 0.000 -9.190) 9.286 3.257 ( 2.386 0.000 -6.110) 6.560 3.305 ( 5.632 0.000 6.573) 8.656 3.476 ( 13.459 0.000 -9.870) 16.690 3.589 ( 1.238 0.000 5.668) 5.801 3.640 ( 7.930 0.000 -6.733) 10.403 3.685 ( 0.080 0.000 -2.618) 2.620 3.856 ( 6.891 0.000 -8.782) 11.163 4.188 ( -11.413 0.000 -0.191) 11.415 4.339 ( 5.137 0.000 0.201) 5.141 4.661 ( -0.627 0.000 -2.130) 2.220 4.742 ( -0.530 0.000 -7.429) 7.447 5.127 ( -4.515 0.000 17.592) 18.162 5.254 ( -3.209 0.000 6.410) 7.168 5.263 ( -3.555 0.000 0.584) 3.602 5.834 ( -3.414 0.000 28.236) 28.442 6.804 ( -8.326 0.000 21.906) 23.435 7.393 ( -1.358 0.000 -0.040) 1.358 7.537 ( -0.955 0.000 0.681) 1.173 7.945 ( 4.850 0.000 -4.633) 6.707 8.083 ( 1.570 0.000 -0.849) 1.785 8.536 ( -0.708 0.000 0.376) 0.802 8.863 ( 17.999 0.000 -40.209) 44.054 9.293 ( 2.215 0.000 3.220) 3.908 9.519 ( -2.480 0.000 1.353) 2.825 9.588 ( -0.728 0.000 2.643) 2.741 9.665 ( 13.098 0.000 -5.283) 14.123 9.951 ( -0.257 0.000 -5.287) 5.294 10.316 ( -1.428 0.000 -2.117) 2.554 10.386 ( 0.166 0.000 -2.284) 2.290 10.624 ( 3.997 0.000 -10.745) 11.464 10.657 ( 7.396 0.000 -7.951) 10.859 11.271 ( 6.445 0.000 -4.062) 7.619 12.249 ( 3.836 0.000 -6.696) 7.717 12.771 ( -9.392 0.000 -15.152) 17.827 13.233 ( -0.872 0.000 4.921) 4.998 13.272 ( -1.212 0.000 3.292) 3.508 14.221 ( 4.010 0.000 -5.276) 6.626 14.410 ( 6.789 0.000 -10.510) 12.512 17.503 ( -1.745 0.000 -6.630) 6.856 17.823 ( -2.947 0.000 14.611) 14.906 17.962 ( 0.510 0.000 -10.742) 10.754 18.082 ( -16.144 0.000 18.707) 24.710 18.482 ( 0.383 0.000 -4.576) 4.592 18.597 ( -1.985 0.000 9.547) 9.751 18.815 ( -28.028 0.000 26.347) 38.467 19.072 ( -1.011 0.000 4.075) 4.198 19.121 ( -1.269 0.000 1.128) 1.698 19.454 ( -2.607 0.000 -8.359) 8.756 19.863 ( -4.454 0.000 0.330) 4.466 20.157 ( 0.003 0.000 -8.169) 8.169 ======================= Grid point 67 (24/105) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 16.830 0.000 13.454) 21.547 1.070 ( 16.781 0.000 11.945) 20.598 1.633 ( 8.116 0.000 14.370) 16.504 1.961 ( 13.993 0.000 9.818) 17.094 2.107 ( 13.591 0.000 4.896) 14.446 2.142 ( 5.403 0.000 9.249) 10.712 2.244 ( 7.751 0.000 1.069) 7.824 2.789 ( 7.101 0.000 5.470) 8.964 3.103 ( 1.465 0.000 8.644) 8.768 3.163 ( 1.701 0.000 -9.041) 9.199 3.291 ( 0.860 0.000 -5.971) 6.032 3.442 ( 6.664 0.000 4.109) 7.830 3.562 ( -3.040 0.000 -3.656) 4.755 3.715 ( 8.828 0.000 -3.715) 9.578 3.736 ( 4.282 0.000 10.438) 11.282 3.850 ( 10.572 0.000 -7.115) 12.743 3.962 ( -9.627 0.000 1.609) 9.761 4.091 ( 15.174 0.000 -5.206) 16.042 4.506 ( 10.894 0.000 -3.443) 11.425 4.676 ( 2.152 0.000 4.940) 5.388 4.754 ( 1.361 0.000 -12.013) 12.090 5.001 ( -7.334 0.000 13.725) 15.561 5.153 ( -6.891 0.000 0.927) 6.953 5.155 ( -4.923 0.000 2.991) 5.760 5.752 ( -3.818 0.000 25.032) 25.322 6.766 ( 2.402 0.000 16.671) 16.843 7.358 ( -1.863 0.000 -0.134) 1.867 7.501 ( -2.620 0.000 1.951) 3.267 7.998 ( 0.405 0.000 -4.934) 4.951 8.148 ( 3.280 0.000 1.428) 3.578 8.517 ( -0.990 0.000 -0.610) 1.162 8.896 ( -7.079 0.000 -22.460) 23.549 9.378 ( 5.883 0.000 1.708) 6.126 9.439 ( -4.855 0.000 2.561) 5.489 9.570 ( -0.734 0.000 3.520) 3.595 9.850 ( 4.100 0.000 -2.105) 4.609 9.944 ( -0.357 0.000 -4.870) 4.883 10.276 ( -2.255 0.000 -2.992) 3.747 10.361 ( -1.467 0.000 -5.761) 5.945 10.615 ( -1.790 0.000 -6.052) 6.311 10.964 ( 15.050 0.000 -15.579) 21.661 11.454 ( 10.719 0.000 -3.744) 11.354 12.354 ( 5.865 0.000 -6.016) 8.402 12.523 ( -13.403 0.000 -10.565) 17.066 13.207 ( -1.588 0.000 4.817) 5.072 13.236 ( -2.112 0.000 4.050) 4.568 14.329 ( 5.534 0.000 -7.314) 9.172 14.520 ( 3.578 0.000 -11.008) 11.575 17.458 ( -2.338 0.000 -7.684) 8.032 17.578 ( -16.118 0.000 31.675) 35.540 17.887 ( -1.728 0.000 15.575) 15.671 17.971 ( 0.136 0.000 -11.030) 11.031 18.492 ( 0.521 0.000 -3.972) 4.006 18.536 ( -3.851 0.000 9.524) 10.273 18.559 ( -3.714 0.000 6.913) 7.847 19.039 ( -2.236 0.000 4.717) 5.221 19.090 ( -1.488 0.000 -1.022) 1.805 19.391 ( -3.041 0.000 -7.915) 8.479 19.732 ( -7.834 0.000 1.997) 8.085 20.117 ( -3.224 0.000 -9.101) 9.655 ======================= Grid point 68 (25/105) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 16.830 0.000 7.923) 18.601 1.401 ( 14.275 0.000 3.953) 14.812 1.710 ( 3.393 0.000 7.448) 8.184 2.241 ( 7.446 0.000 9.974) 12.447 2.299 ( 11.018 0.000 10.619) 15.302 2.365 ( 9.631 0.000 6.331) 11.525 2.429 ( 11.120 0.000 -6.681) 12.973 2.955 ( 8.515 0.000 5.038) 9.894 3.134 ( 1.431 0.000 4.978) 5.180 3.193 ( 1.062 0.000 -8.346) 8.413 3.301 ( 0.273 0.000 -4.275) 4.284 3.457 ( -4.600 0.000 -1.837) 4.953 3.598 ( 5.803 0.000 0.539) 5.828 3.735 ( -8.571 0.000 3.921) 9.425 3.825 ( -0.439 0.000 -1.550) 1.611 3.833 ( 4.746 0.000 12.166) 13.059 4.088 ( 9.728 0.000 -5.700) 11.274 4.433 ( 15.353 0.000 -3.332) 15.710 4.694 ( -7.957 0.000 5.702) 9.789 4.777 ( 14.038 0.000 -5.205) 14.972 4.778 ( 7.453 0.000 0.305) 7.459 4.844 ( -5.968 0.000 9.289) 11.041 4.985 ( -8.890 0.000 1.423) 9.003 5.173 ( 8.290 0.000 -9.634) 12.710 5.697 ( -1.075 0.000 20.830) 20.858 6.854 ( 5.408 0.000 13.626) 14.660 7.320 ( -1.686 0.000 -0.229) 1.702 7.426 ( -4.539 0.000 3.005) 5.444 7.993 ( -0.507 0.000 -3.153) 3.194 8.178 ( -0.231 0.000 1.112) 1.136 8.496 ( -1.078 0.000 -1.131) 1.562 8.704 ( -10.047 0.000 -13.897) 17.149 9.334 ( -4.916 0.000 3.728) 6.170 9.488 ( 2.299 0.000 0.944) 2.485 9.584 ( 3.416 0.000 5.889) 6.808 9.891 ( 0.805 0.000 1.183) 1.431 9.939 ( 0.114 0.000 -4.366) 4.368 10.231 ( -1.915 0.000 -5.055) 5.405 10.331 ( -1.745 0.000 -5.505) 5.775 10.564 ( -2.997 0.000 -4.341) 5.275 11.222 ( 9.983 0.000 -9.796) 13.987 11.695 ( 12.037 0.000 -3.248) 12.468 12.247 ( -12.644 0.000 -5.919) 13.961 12.478 ( 5.671 0.000 -5.226) 7.712 13.168 ( -2.131 0.000 4.674) 5.137 13.189 ( -2.227 0.000 5.256) 5.708 14.430 ( 4.046 0.000 -6.977) 8.065 14.567 ( 1.258 0.000 -8.637) 8.728 17.320 ( -9.047 0.000 24.462) 26.082 17.412 ( -1.988 0.000 -8.601) 8.828 17.874 ( -0.131 0.000 11.381) 11.382 17.962 ( -1.133 0.000 -11.201) 11.258 18.445 ( -4.602 0.000 9.348) 10.420 18.500 ( 0.221 0.000 -2.968) 2.977 18.528 ( -0.200 0.000 1.573) 1.586 18.985 ( -2.708 0.000 2.108) 3.432 19.063 ( -1.131 0.000 0.056) 1.133 19.338 ( -1.990 0.000 -7.756) 8.007 19.551 ( -9.281 0.000 3.724) 10.001 20.039 ( -3.966 0.000 -10.202) 10.946 ======================= Grid point 69 (26/105) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 3.355 0.000 -0.469) 3.387 1.718 ( 14.690 0.000 4.113) 15.255 1.890 ( 13.837 0.000 6.513) 15.293 2.368 ( 5.329 0.000 9.448) 10.847 2.455 ( 3.682 0.000 7.726) 8.559 2.506 ( 4.885 0.000 4.095) 6.375 2.691 ( 12.719 0.000 -10.065) 16.219 3.132 ( 7.792 0.000 1.903) 8.021 3.158 ( 0.812 0.000 0.939) 1.241 3.209 ( 1.096 0.000 -4.050) 4.196 3.301 ( -0.589 0.000 -2.243) 2.319 3.349 ( -5.361 0.000 -2.061) 5.744 3.556 ( -7.796 0.000 3.349) 8.485 3.705 ( 4.239 0.000 -0.146) 4.241 3.791 ( -2.175 0.000 -1.301) 2.535 3.924 ( 3.580 0.000 10.849) 11.424 4.189 ( -1.416 0.000 -1.560) 2.107 4.477 ( -9.287 0.000 10.004) 13.650 4.509 ( -7.351 0.000 1.720) 7.549 4.780 ( -8.529 0.000 0.193) 8.531 4.933 ( 12.249 0.000 1.690) 12.366 5.025 ( 14.715 0.000 -3.627) 15.155 5.075 ( 12.939 0.000 -4.204) 13.605 5.394 ( 9.996 0.000 -7.258) 12.353 5.722 ( 3.778 0.000 14.497) 14.981 6.972 ( 5.558 0.000 12.020) 13.243 7.294 ( -0.739 0.000 -0.739) 1.045 7.320 ( -5.380 0.000 3.496) 6.416 7.982 ( -0.475 0.000 -1.511) 1.584 8.158 ( -1.327 0.000 -0.113) 1.332 8.473 ( -1.117 0.000 -1.454) 1.834 8.512 ( -7.986 0.000 -9.834) 12.669 9.244 ( -3.655 0.000 5.440) 6.554 9.486 ( -1.044 0.000 4.506) 4.626 9.659 ( 1.925 0.000 7.119) 7.375 9.900 ( 0.183 0.000 1.779) 1.788 9.963 ( 2.323 0.000 -4.841) 5.370 10.202 ( -0.777 0.000 -7.732) 7.771 10.281 ( -3.084 0.000 -4.218) 5.225 10.500 ( -2.904 0.000 -3.306) 4.400 11.394 ( 6.925 0.000 -4.104) 8.050 11.937 ( 10.777 0.000 -2.688) 11.107 12.011 ( -10.009 0.000 -2.456) 10.306 12.577 ( 3.641 0.000 -4.582) 5.853 13.122 ( -2.136 0.000 5.207) 5.628 13.149 ( -1.633 0.000 6.033) 6.250 14.496 ( 2.350 0.000 -6.009) 6.452 14.582 ( 0.360 0.000 -6.917) 6.927 17.178 ( -4.932 0.000 17.382) 18.069 17.378 ( -1.269 0.000 -9.155) 9.242 17.874 ( 0.079 0.000 9.288) 9.288 17.920 ( -2.777 0.000 -9.958) 10.338 18.360 ( -3.205 0.000 8.199) 8.803 18.503 ( 0.126 0.000 -2.615) 2.618 18.532 ( 0.368 0.000 0.349) 0.507 18.934 ( -2.131 0.000 -0.258) 2.147 19.043 ( -0.759 0.000 1.170) 1.394 19.308 ( -0.912 0.000 -7.824) 7.877 19.363 ( -8.329 0.000 4.968) 9.698 19.962 ( -3.293 0.000 -11.134) 11.611 ======================= Grid point 70 (27/105) ======================= q-point: ( 0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.822 0.000 1.699) 1.888 1.977 ( 9.647 0.000 1.809) 9.816 2.188 ( 13.176 0.000 1.024) 13.216 2.443 ( 0.772 0.000 7.220) 7.261 2.491 ( 1.308 0.000 8.758) 8.855 2.574 ( 1.684 0.000 2.300) 2.851 2.925 ( 9.193 0.000 -12.342) 15.389 3.167 ( 0.140 0.000 -3.986) 3.989 3.179 ( -0.730 0.000 -4.399) 4.459 3.232 ( -4.455 0.000 -5.775) 7.293 3.266 ( -2.743 0.000 -1.387) 3.074 3.359 ( 9.617 0.000 6.371) 11.536 3.429 ( -4.100 0.000 3.249) 5.231 3.771 ( 0.940 0.000 1.243) 1.558 3.772 ( 2.241 0.000 -0.166) 2.247 3.936 ( -3.803 0.000 8.651) 9.450 4.033 ( -10.469 0.000 6.115) 12.124 4.369 ( -3.083 0.000 1.452) 3.408 4.385 ( -1.171 0.000 2.460) 2.724 4.600 ( -7.956 0.000 1.590) 8.113 5.177 ( 8.965 0.000 -1.449) 9.081 5.289 ( 7.248 0.000 -3.126) 7.893 5.309 ( 10.924 0.000 -3.887) 11.595 5.533 ( 3.647 0.000 1.135) 3.819 5.835 ( 5.604 0.000 5.010) 7.517 7.070 ( 3.559 0.000 11.271) 11.819 7.219 ( -3.849 0.000 3.656) 5.308 7.288 ( 0.061 0.000 -1.350) 1.352 7.974 ( -0.269 0.000 0.064) 0.277 8.134 ( -0.853 0.000 -1.808) 1.999 8.383 ( -4.298 0.000 -8.547) 9.567 8.453 ( -0.737 0.000 -1.883) 2.022 9.186 ( -1.877 0.000 7.455) 7.688 9.465 ( -0.820 0.000 6.716) 6.766 9.662 ( -0.869 0.000 8.971) 9.013 9.902 ( 0.076 0.000 1.671) 1.672 10.021 ( 2.634 0.000 -5.235) 5.861 10.194 ( -0.192 0.000 -9.425) 9.427 10.213 ( -2.906 0.000 -3.215) 4.334 10.451 ( -1.656 0.000 -2.412) 2.926 11.520 ( 5.361 0.000 -0.069) 5.361 11.833 ( -7.089 0.000 -0.724) 7.125 12.126 ( 7.010 0.000 -2.399) 7.409 12.625 ( 1.041 0.000 -4.096) 4.226 13.086 ( -1.249 0.000 6.074) 6.201 13.122 ( -0.908 0.000 6.314) 6.379 14.531 ( 1.054 0.000 -5.317) 5.421 14.586 ( 0.079 0.000 -6.086) 6.087 17.105 ( -2.284 0.000 13.451) 13.644 17.359 ( -0.571 0.000 -9.389) 9.406 17.859 ( -2.617 0.000 -7.582) 8.021 17.876 ( 0.072 0.000 8.113) 8.113 18.316 ( -1.196 0.000 6.305) 6.418 18.505 ( 0.109 0.000 -2.912) 2.915 18.539 ( 0.231 0.000 0.478) 0.531 18.899 ( -1.127 0.000 -1.534) 1.903 19.033 ( -0.251 0.000 1.379) 1.402 19.221 ( -5.081 0.000 5.795) 7.707 19.296 ( -0.305 0.000 -7.935) 7.941 19.908 ( -1.799 0.000 -11.664) 11.802 ======================= Grid point 71 (28/105) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 0.000 2.350) 2.350 2.085 ( 0.000 0.000 1.023) 1.023 2.380 ( -0.000 0.000 -3.131) 3.131 2.402 ( 0.000 0.000 6.022) 6.022 2.511 ( 0.000 0.000 11.931) 11.931 2.588 ( 0.000 0.000 1.475) 1.475 3.040 ( 0.000 0.000 -12.362) 12.362 3.165 ( 0.000 0.000 -8.998) 8.998 3.167 ( -0.000 0.000 -0.181) 0.181 3.169 ( -0.000 0.000 -7.195) 7.195 3.223 ( 0.000 0.000 -1.167) 1.167 3.388 ( 0.000 0.000 3.799) 3.799 3.506 ( 0.000 0.000 2.421) 2.421 3.817 ( -0.000 0.000 1.572) 1.572 3.819 ( 0.000 0.000 8.114) 8.114 3.835 ( -0.000 0.000 1.353) 1.353 3.860 ( 0.000 0.000 9.797) 9.797 4.374 ( -0.000 0.000 -0.264) 0.264 4.376 ( 0.000 0.000 0.369) 0.369 4.491 ( 0.000 0.000 3.582) 3.582 5.273 ( 0.000 0.000 -2.245) 2.245 5.365 ( 0.000 0.000 -2.485) 2.485 5.429 ( 0.000 0.000 -3.905) 3.905 5.567 ( -0.000 0.000 3.618) 3.618 5.900 ( 0.000 0.000 2.082) 2.082 7.109 ( 0.000 0.000 11.003) 11.003 7.177 ( 0.000 0.000 3.791) 3.791 7.290 ( 0.000 0.000 -1.612) 1.612 7.971 ( 0.000 0.000 0.847) 0.847 8.125 ( 0.000 0.000 -2.720) 2.720 8.337 ( 0.000 0.000 -8.426) 8.426 8.445 ( 0.000 0.000 -2.109) 2.109 9.166 ( 0.000 0.000 8.409) 8.409 9.456 ( 0.000 0.000 7.542) 7.542 9.650 ( 0.000 0.000 9.545) 9.545 9.903 ( 0.000 0.000 1.557) 1.557 10.051 ( 0.000 0.000 -5.319) 5.319 10.180 ( 0.000 0.000 -2.899) 2.899 10.192 ( 0.000 0.000 -9.868) 9.868 10.434 ( 0.000 0.000 -1.990) 1.990 11.595 ( 0.000 0.000 2.407) 2.407 11.740 ( -0.000 0.000 -1.224) 1.224 12.204 ( 0.000 0.000 -2.391) 2.391 12.632 ( 0.000 0.000 -3.850) 3.850 13.072 ( 0.000 0.000 6.466) 6.466 13.113 ( 0.000 0.000 6.385) 6.385 14.542 ( 0.000 0.000 -5.084) 5.084 14.587 ( 0.000 0.000 -5.854) 5.854 17.081 ( 0.000 0.000 12.202) 12.202 17.354 ( 0.000 0.000 -9.441) 9.441 17.830 ( 0.000 0.000 -6.477) 6.477 17.876 ( 0.000 0.000 7.733) 7.733 18.304 ( 0.000 0.000 5.479) 5.479 18.507 ( 0.000 0.000 -3.065) 3.065 18.541 ( 0.000 0.000 0.608) 0.608 18.887 ( 0.000 0.000 -1.924) 1.924 19.031 ( 0.000 0.000 1.128) 1.128 19.165 ( 0.000 0.000 6.286) 6.286 19.293 ( 0.000 0.000 -7.981) 7.981 19.889 ( 0.000 0.000 -11.821) 11.821 ======================= Grid point 78 (29/105) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 16.313 14.899) 22.093 0.622 ( 0.000 11.653 20.177) 23.300 1.416 ( 0.000 12.052 29.879) 32.218 1.420 ( 0.000 -6.007 22.257) 23.053 1.510 ( 0.000 -22.574 3.540) 22.850 2.262 ( 0.000 17.743 5.064) 18.451 2.396 ( 0.000 20.401 3.539) 20.706 2.425 ( 0.000 -19.068 13.903) 23.598 2.870 ( 0.000 -13.968 9.671) 16.989 3.089 ( 0.000 -5.931 -9.091) 10.854 3.116 ( 0.000 1.422 -0.686) 1.579 3.197 ( 0.000 -5.602 -3.143) 6.424 3.415 ( 0.000 3.335 -0.569) 3.383 3.475 ( 0.000 -4.234 4.119) 5.906 3.561 ( 0.000 0.516 -6.516) 6.536 3.694 ( 0.000 -3.829 -8.688) 9.494 3.909 ( 0.000 14.318 -3.004) 14.629 4.210 ( 0.000 6.791 -3.762) 7.763 4.436 ( 0.000 -4.652 -3.510) 5.828 4.642 ( 0.000 -5.278 -21.363) 22.006 4.902 ( 0.000 8.047 4.851) 9.396 5.044 ( 0.000 -6.415 16.964) 18.136 5.310 ( 0.000 1.166 1.898) 2.228 5.347 ( 0.000 1.695 7.524) 7.713 6.046 ( 0.000 16.430 27.220) 31.794 6.812 ( 0.000 -19.945 23.407) 30.752 7.430 ( 0.000 2.054 0.915) 2.248 7.526 ( 0.000 -1.927 0.698) 2.049 7.987 ( 0.000 6.552 -9.452) 11.501 8.108 ( 0.000 3.730 -2.503) 4.492 8.184 ( 0.000 -3.061 -4.556) 5.489 8.434 ( 0.000 -10.170 1.507) 10.281 9.313 ( 0.000 3.731 2.646) 4.575 9.467 ( 0.000 -3.860 -0.457) 3.887 9.533 ( 0.000 -0.836 1.278) 1.527 9.562 ( 0.000 -2.867 3.522) 4.542 10.013 ( 0.000 12.877 -4.544) 13.655 10.347 ( 0.000 1.504 -2.078) 2.566 10.502 ( 0.000 -3.643 -3.306) 4.919 10.549 ( 0.000 -8.160 -9.544) 12.557 10.789 ( 0.000 20.266 -10.021) 22.608 11.169 ( 0.000 -3.552 -3.926) 5.294 12.502 ( 0.000 20.610 -28.775) 35.394 12.860 ( 0.000 -1.788 -19.416) 19.498 13.250 ( 0.000 0.803 4.671) 4.740 13.281 ( 0.000 -0.401 3.261) 3.285 14.198 ( 0.000 1.239 -3.958) 4.147 14.285 ( 0.000 -1.970 -5.321) 5.674 17.493 ( 0.000 -1.706 0.949) 1.952 17.764 ( 0.000 -18.167 9.440) 20.473 17.901 ( 0.000 4.965 9.983) 11.149 18.101 ( 0.000 -6.916 9.512) 11.760 18.477 ( 0.000 0.012 -4.194) 4.194 18.509 ( 0.000 -3.548 4.121) 5.438 19.090 ( 0.000 0.721 3.180) 3.261 19.127 ( 0.000 -0.805 3.508) 3.600 19.466 ( 0.000 0.308 -7.045) 7.052 19.480 ( 0.000 -0.211 -8.563) 8.566 19.917 ( 0.000 0.782 0.620) 0.998 20.005 ( 0.000 -5.170 5.396) 7.473 ======================= Grid point 79 (30/105) ======================= q-point: ( 0.08 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 12.602 7.221 17.129) 22.458 0.828 ( 16.484 11.994 11.100) 23.212 1.444 ( 2.639 -12.523 12.757) 18.070 1.561 ( 11.326 -5.865 14.228) 19.107 1.634 ( 12.252 1.067 20.573) 23.969 2.315 ( 5.226 18.466 5.909) 20.081 2.426 ( 2.464 17.021 3.027) 17.463 2.498 ( 6.786 -14.380 12.543) 20.252 2.907 ( 2.962 -12.583 6.407) 14.428 3.079 ( 2.340 -2.959 -3.833) 5.378 3.196 ( 2.313 -8.840 -2.652) 9.515 3.313 ( 7.934 -4.601 -4.008) 10.010 3.438 ( 2.218 1.021 -0.514) 2.495 3.523 ( 4.120 -5.134 2.602) 7.078 3.606 ( 4.879 1.493 -6.659) 8.389 3.707 ( 2.452 -1.732 -7.929) 8.479 3.978 ( 6.362 12.091 -3.052) 13.999 4.196 ( -1.756 7.418 -2.271) 7.954 4.443 ( 1.807 -1.616 -2.931) 3.803 4.650 ( 0.968 -4.528 -17.259) 17.869 4.809 ( -5.884 8.084 6.813) 12.099 5.012 ( -3.122 -6.072 14.954) 16.439 5.264 ( -4.199 0.554 2.045) 4.703 5.304 ( -4.314 0.981 7.294) 8.531 6.003 ( -3.699 15.994 25.798) 30.578 6.681 ( -5.893 -12.323 21.827) 25.749 7.411 ( -1.578 1.808 0.718) 2.504 7.510 ( -1.543 -2.485 1.251) 3.182 8.016 ( 3.471 6.674 -6.179) 9.735 8.138 ( 3.350 5.736 -0.247) 6.647 8.400 ( 1.538 -11.585 -3.830) 12.298 8.619 ( 16.465 -18.419 -15.841) 29.348 9.342 ( 2.929 4.124 1.090) 5.174 9.509 ( -2.262 -0.677 1.781) 2.957 9.541 ( 4.347 -6.964 0.374) 8.218 9.554 ( 2.959 -3.428 1.188) 4.681 10.010 ( -0.251 12.602 -4.430) 13.361 10.335 ( -1.185 1.685 -2.366) 3.137 10.464 ( -2.713 -2.418 -4.980) 6.165 10.564 ( 0.473 -7.069 -6.026) 9.301 10.881 ( 8.464 17.243 -12.452) 22.892 11.238 ( 6.371 -3.558 -4.040) 8.341 12.447 ( -3.566 14.927 -19.056) 24.468 12.754 ( -9.417 -2.092 -16.978) 19.528 13.240 ( -0.967 0.690 4.702) 4.849 13.268 ( -1.224 -0.423 3.537) 3.767 14.245 ( 4.603 2.464 -5.900) 7.878 14.378 ( 6.426 -3.047 -9.018) 11.485 17.469 ( -2.141 -2.214 0.276) 3.092 17.670 ( -8.579 -15.954 17.711) 25.334 17.909 ( 0.575 4.272 8.782) 9.783 18.072 ( -2.030 -2.207 5.811) 6.539 18.481 ( 0.355 -0.027 -4.026) 4.041 18.504 ( -0.434 -2.561 3.030) 3.991 19.044 ( -12.389 6.448 5.599) 15.047 19.096 ( -4.436 1.807 7.371) 8.791 19.137 ( -8.115 6.442 0.703) 10.385 19.418 ( -5.358 -3.645 -6.836) 9.419 19.892 ( -2.548 2.898 0.001) 3.859 20.082 ( 1.982 -6.101 -4.234) 7.686 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.17 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 16.893 4.722 11.451) 20.948 1.168 ( 15.523 8.446 9.176) 19.912 1.531 ( 5.641 -11.514 7.156) 14.683 1.787 ( 10.652 -17.723 6.189) 21.584 1.982 ( 17.711 11.091 20.207) 29.069 2.444 ( 5.098 15.777 4.374) 17.148 2.504 ( 5.954 13.935 1.484) 15.226 2.685 ( 10.877 -6.204 11.506) 17.006 2.972 ( 3.049 -8.895 0.455) 9.414 3.135 ( 1.930 -2.465 -1.228) 3.363 3.242 ( 2.711 -9.746 -2.989) 10.548 3.411 ( 0.821 -11.130 -2.071) 11.351 3.482 ( 2.832 2.890 1.622) 4.359 3.591 ( 1.925 -4.894 2.140) 5.678 3.769 ( 8.722 2.519 -3.881) 9.873 3.849 ( 10.608 -0.803 -7.826) 13.207 4.124 ( -0.667 10.557 3.769) 11.230 4.176 ( 8.811 7.930 -4.369) 12.634 4.544 ( 7.420 -1.278 -1.286) 7.638 4.690 ( 2.504 -4.360 -6.160) 7.952 4.734 ( -0.360 5.577 1.459) 5.776 4.935 ( -3.419 -3.516 8.430) 9.753 5.140 ( -7.519 -0.426 1.464) 7.672 5.179 ( -6.713 -0.288 4.702) 8.201 5.916 ( -4.037 15.830 22.599) 27.885 6.633 ( 0.397 -13.565 16.703) 21.521 7.372 ( -2.054 1.351 0.764) 2.574 7.462 ( -3.031 -3.137 2.414) 4.985 8.057 ( 0.785 5.856 -5.608) 8.146 8.226 ( 3.340 7.789 1.456) 8.599 8.407 ( -0.108 -9.688 -3.350) 10.251 8.732 ( -2.910 -14.857 -11.774) 19.178 9.421 ( 0.738 2.537 0.422) 2.676 9.462 ( 1.366 3.352 1.137) 3.794 9.524 ( -0.869 -3.340 3.991) 5.276 9.749 ( 8.484 -10.888 -5.361) 14.808 10.004 ( -0.240 11.579 -3.955) 12.238 10.295 ( -2.740 1.402 -4.022) 5.065 10.410 ( -2.307 0.613 -3.775) 4.466 10.554 ( -1.479 -5.973 -3.589) 7.124 11.095 ( 10.728 10.959 -12.761) 19.951 11.415 ( 9.990 -4.164 -4.069) 11.563 12.410 ( 0.395 4.657 -9.247) 10.361 12.520 ( -11.849 -0.594 -11.260) 16.357 13.212 ( -1.692 0.485 4.732) 5.049 13.233 ( -2.070 -0.365 4.189) 4.686 14.357 ( 5.351 2.708 -7.589) 9.673 14.490 ( 4.016 -2.866 -9.935) 11.093 17.413 ( -3.180 -3.367 0.251) 4.638 17.465 ( -9.392 -7.371 20.495) 23.719 17.919 ( 0.315 4.422 7.743) 8.922 18.041 ( -0.997 1.766 -1.187) 2.350 18.490 ( 0.419 -0.137 -3.140) 3.170 18.495 ( -0.373 -0.893 0.696) 1.192 18.733 ( -11.229 12.868 8.723) 19.177 19.035 ( -3.456 -0.879 3.942) 5.316 19.091 ( -1.366 0.469 -0.263) 1.468 19.294 ( -5.889 -8.387 -3.843) 10.945 19.811 ( -5.000 6.642 -1.036) 8.378 20.067 ( -2.621 -4.846 -7.451) 9.266 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 16.412 3.252 7.837) 18.476 1.467 ( 13.001 5.947 3.382) 14.691 1.677 ( 8.696 -2.988 7.790) 12.051 2.007 ( 10.412 -15.555 5.203) 19.427 2.271 ( 9.196 4.402 12.244) 15.933 2.512 ( 2.414 5.329 3.548) 6.842 2.666 ( 8.595 15.002 -1.731) 17.377 2.923 ( 11.116 -1.133 10.040) 15.022 3.027 ( 2.226 -5.167 -3.275) 6.510 3.151 ( 0.030 -2.597 -1.476) 2.987 3.311 ( 2.615 -7.263 -3.306) 8.398 3.378 ( -1.515 -9.619 -0.815) 9.772 3.541 ( 0.666 0.356 1.716) 1.874 3.619 ( 1.836 -2.264 1.339) 3.208 3.880 ( 1.662 5.187 -2.667) 6.065 4.043 ( 2.167 3.828 -0.954) 4.501 4.103 ( 4.390 8.240 5.374) 10.772 4.438 ( 11.022 -0.922 -0.992) 11.105 4.636 ( -2.028 -3.595 5.539) 6.908 4.731 ( 7.291 -3.646 1.295) 8.254 4.843 ( -0.784 2.828 2.936) 4.151 4.883 ( 6.668 4.640 -1.795) 8.319 4.963 ( -8.486 -0.715 1.769) 8.698 5.158 ( 7.809 -2.699 -9.472) 12.569 5.853 ( -1.821 15.738 19.390) 25.040 6.670 ( 2.789 -17.927 13.564) 22.653 7.330 ( -1.995 0.865 1.077) 2.427 7.387 ( -3.994 -2.593 2.895) 5.573 8.064 ( 0.047 6.222 -4.859) 7.895 8.253 ( -0.334 7.213 2.323) 7.585 8.396 ( -1.114 -8.785 -5.084) 10.211 8.617 ( -6.387 -8.334 -4.909) 11.591 9.351 ( -4.169 1.913 3.377) 5.696 9.474 ( -1.773 -3.144 3.311) 4.898 9.612 ( 6.942 5.007 1.066) 8.625 9.871 ( 3.634 -6.086 -4.970) 8.657 10.003 ( 0.146 9.515 -3.025) 9.985 10.230 ( -3.042 0.309 -6.542) 7.221 10.364 ( -2.408 1.726 -2.021) 3.586 10.508 ( -2.729 -5.299 -2.257) 6.374 11.293 ( 8.070 6.919 -8.419) 13.560 11.622 ( 9.010 -6.994 -3.544) 11.944 12.299 ( -8.368 4.579 -6.187) 11.370 12.457 ( 3.406 -2.202 -5.713) 7.006 13.171 ( -2.158 0.334 4.781) 5.256 13.187 ( -2.227 -0.287 5.191) 5.656 14.451 ( 3.652 2.029 -7.084) 8.224 14.547 ( 1.707 -1.945 -8.201) 8.600 17.290 ( -6.478 -1.688 17.259) 18.512 17.363 ( -2.492 -4.182 -2.746) 5.589 17.924 ( 0.227 4.745 6.202) 7.812 18.023 ( -0.949 3.106 -5.268) 6.188 18.470 ( -2.873 1.955 2.160) 4.092 18.499 ( 0.231 -0.133 -3.170) 3.182 18.567 ( -4.403 5.588 6.147) 9.402 18.947 ( -4.781 -5.181 1.355) 7.179 19.065 ( -1.108 0.380 0.678) 1.353 19.188 ( -4.311 -9.066 -1.004) 10.089 19.698 ( -5.514 10.003 -2.355) 11.662 19.996 ( -3.831 -4.431 -9.019) 10.755 ======================= Grid point 82 (33/105) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 5.450 5.299 1.989) 7.857 1.756 ( 14.044 2.957 4.243) 14.966 1.918 ( 14.026 2.505 5.257) 15.186 2.213 ( 9.014 -11.677 4.408) 15.396 2.379 ( 2.179 -1.671 8.373) 8.812 2.551 ( 1.203 -1.203 4.078) 4.419 2.846 ( 8.549 11.028 -6.456) 15.375 3.032 ( -0.140 -5.506 -1.573) 5.728 3.133 ( 1.848 -2.323 0.018) 2.968 3.169 ( 6.954 0.697 2.975) 7.596 3.281 ( -2.820 -4.475 -4.937) 7.236 3.436 ( 4.693 -3.795 2.099) 6.390 3.490 ( -4.362 3.275 -0.747) 5.505 3.676 ( 2.794 -2.978 -0.244) 4.091 3.869 ( -1.916 8.024 -1.891) 8.464 4.024 ( -1.490 7.540 9.830) 12.479 4.170 ( -1.111 -1.936 -0.223) 2.244 4.390 ( -8.425 -7.131 10.260) 15.069 4.571 ( -8.275 4.531 2.838) 9.852 4.744 ( -8.736 -3.242 1.115) 9.385 4.940 ( 13.302 0.619 0.230) 13.319 4.991 ( 14.012 -2.022 -3.018) 14.476 5.156 ( 13.041 6.652 -5.303) 15.571 5.398 ( 12.343 -2.009 -10.232) 16.158 5.846 ( 1.191 14.471 16.764) 22.177 6.736 ( 3.303 -22.017 11.751) 25.175 7.283 ( -3.136 -0.110 3.291) 4.547 7.311 ( -2.477 -0.754 0.584) 2.654 8.062 ( -0.213 5.930 -4.792) 7.627 8.236 ( -0.838 7.521 2.658) 8.021 8.352 ( -3.081 -8.421 -7.442) 11.653 8.511 ( -3.374 -2.971 -0.094) 4.497 9.270 ( -3.454 2.658 5.214) 6.795 9.434 ( -1.923 -4.674 5.348) 7.358 9.717 ( 2.487 5.775 2.987) 6.961 9.922 ( 1.623 -2.075 -4.295) 5.039 10.011 ( 0.800 7.152 -2.417) 7.592 10.186 ( -1.025 -1.116 -9.048) 9.174 10.302 ( -3.491 1.609 -0.894) 3.947 10.450 ( -2.653 -4.815 -1.375) 5.667 11.433 ( 5.591 4.140 -3.600) 7.833 11.744 ( 1.991 -11.010 -1.955) 11.358 12.205 ( -0.096 11.238 -3.558) 11.788 12.531 ( 3.250 -4.690 -4.526) 7.283 13.126 ( -2.063 0.403 5.345) 5.744 13.145 ( -1.704 -0.379 5.930) 6.182 14.510 ( 2.040 1.290 -6.080) 6.541 14.570 ( 0.641 -1.205 -6.710) 6.847 17.182 ( -3.951 0.888 12.795) 13.420 17.321 ( -1.599 -4.950 -4.123) 6.638 17.928 ( 0.195 4.969 4.469) 6.686 17.994 ( -1.891 5.033 -6.568) 8.489 18.377 ( -4.494 2.902 6.460) 8.387 18.501 ( -0.033 -0.309 -2.959) 2.975 18.538 ( 0.012 0.811 1.414) 1.631 18.849 ( -4.294 -10.134 0.766) 11.033 19.044 ( -0.910 0.137 1.163) 1.483 19.109 ( -3.343 -6.790 0.865) 7.618 19.597 ( -3.888 12.176 -4.229) 13.463 19.920 ( -3.212 -4.305 -10.143) 11.477 ======================= Grid point 83 (34/105) ======================= q-point: ( 0.42 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.706 8.612 2.101) 9.027 2.011 ( 10.227 1.649 2.949) 10.770 2.188 ( 9.189 -0.461 -0.447) 9.211 2.346 ( 3.219 -5.272 6.498) 8.965 2.419 ( 3.412 -4.779 7.438) 9.476 2.567 ( 0.495 -4.729 4.573) 6.597 3.000 ( 2.236 1.823 -4.143) 5.048 3.008 ( 1.809 -1.438 -8.370) 8.683 3.117 ( -1.382 -4.606 -5.043) 6.968 3.204 ( -2.761 -3.026 -8.363) 9.312 3.370 ( 4.473 2.425 3.587) 6.225 3.401 ( 1.006 5.848 0.803) 5.988 3.538 ( 4.614 4.843 3.750) 7.668 3.720 ( 1.317 -4.794 -1.037) 5.079 3.823 ( -2.171 7.965 0.761) 8.291 3.966 ( -4.676 2.474 9.143) 10.563 4.039 ( -9.059 0.284 6.738) 11.294 4.285 ( -2.064 -8.371 1.537) 8.757 4.427 ( -3.492 3.951 2.637) 5.895 4.574 ( -7.071 -2.542 2.398) 7.888 5.189 ( 8.901 0.976 -2.522) 9.303 5.246 ( 8.917 -2.143 -3.698) 9.889 5.389 ( 8.724 6.298 -4.260) 11.573 5.606 ( 6.917 1.985 -7.194) 10.176 5.893 ( 2.702 10.602 13.523) 17.394 6.797 ( 2.288 -24.534 10.767) 26.891 7.214 ( -2.701 0.942 4.063) 4.969 7.281 ( -0.912 -1.306 -0.504) 1.671 8.058 ( -0.138 5.238 -5.333) 7.476 8.225 ( -0.236 8.556 2.960) 9.057 8.288 ( -2.540 -6.524 -7.876) 10.538 8.469 ( -1.088 -0.950 0.681) 1.597 9.214 ( -1.854 2.860 7.138) 7.910 9.400 ( -1.190 -5.501 6.905) 8.908 9.725 ( -0.825 6.023 5.237) 8.024 9.935 ( -0.206 -0.565 -3.844) 3.890 10.045 ( 2.074 4.440 -2.581) 5.539 10.181 ( 0.168 -1.125 -9.834) 9.900 10.231 ( -2.927 1.727 -0.778) 3.486 10.405 ( -1.595 -4.620 -0.550) 4.919 11.533 ( 4.141 1.556 -0.040) 4.424 11.722 ( -2.876 -7.895 -0.179) 8.404 12.260 ( 3.693 10.241 -3.062) 11.309 12.580 ( 1.336 -4.632 -4.051) 6.297 13.091 ( -1.182 0.557 6.135) 6.273 13.117 ( -0.940 -0.500 6.307) 6.396 14.539 ( 0.900 0.820 -5.394) 5.530 14.578 ( 0.211 -0.784 -5.931) 5.987 17.122 ( -1.904 2.025 9.947) 10.328 17.296 ( -0.763 -5.486 -4.731) 7.284 17.930 ( -0.132 5.613 1.105) 5.723 17.951 ( -1.789 6.746 -3.471) 7.795 18.311 ( -1.904 0.539 6.313) 6.616 18.499 ( -0.164 -1.024 -3.467) 3.619 18.541 ( 0.188 0.339 0.914) 0.993 18.778 ( -2.450 -13.134 1.408) 13.434 19.029 ( -0.540 -0.389 1.349) 1.504 19.051 ( -2.120 -4.009 1.674) 4.835 19.540 ( -1.713 12.882 -5.830) 14.243 19.868 ( -1.718 -4.153 -10.822) 11.718 ======================= Grid point 84 (35/105) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 9.514 2.211) 9.768 2.149 ( 0.000 6.656 1.579) 6.841 2.227 ( -0.000 -12.864 -0.043) 12.864 2.413 ( 0.000 1.171 6.775) 6.875 2.468 ( 0.000 -3.968 7.424) 8.418 2.571 ( 0.000 -5.025 4.575) 6.796 2.974 ( 0.000 -5.761 -2.226) 6.176 3.080 ( -0.000 2.801 -12.355) 12.668 3.093 ( 0.000 -5.597 -6.759) 8.776 3.167 ( 0.000 -1.145 -10.145) 10.209 3.339 ( 0.000 6.681 -1.555) 6.860 3.523 ( -0.000 0.598 3.486) 3.537 3.601 ( 0.000 13.065 5.663) 14.240 3.731 ( 0.000 -4.583 -0.173) 4.586 3.786 ( -0.000 -0.208 6.432) 6.435 3.888 ( 0.000 1.647 4.777) 5.053 3.923 ( 0.000 4.614 7.346) 8.675 4.265 ( 0.000 -8.631 -0.863) 8.674 4.419 ( -0.000 1.938 1.707) 2.583 4.478 ( 0.000 -1.122 4.035) 4.188 5.284 ( 0.000 0.851 -3.291) 3.399 5.338 ( 0.000 -1.906 -3.651) 4.118 5.486 ( 0.000 5.772 -3.972) 7.006 5.677 ( 0.000 5.053 -4.938) 7.065 5.927 ( 0.000 7.784 11.263) 13.691 6.822 ( 0.000 -25.241 10.426) 27.309 7.185 ( 0.000 1.502 4.201) 4.461 7.271 ( 0.000 -1.892 -0.712) 2.021 8.056 ( 0.000 4.913 -5.725) 7.544 8.224 ( 0.000 9.524 3.570) 10.171 8.260 ( 0.000 -5.947 -8.308) 10.217 8.458 ( 0.000 -0.525 0.466) 0.702 9.194 ( 0.000 2.887 8.020) 8.523 9.388 ( 0.000 -5.773 7.565) 9.516 9.712 ( 0.000 5.957 5.897) 8.382 9.930 ( 0.000 -0.726 -4.035) 4.100 10.071 ( 0.000 3.784 -1.862) 4.217 10.185 ( 0.000 -0.774 -9.905) 9.935 10.196 ( 0.000 1.856 -1.215) 2.218 10.387 ( 0.000 -4.653 -0.179) 4.656 11.590 ( 0.000 -0.233 2.021) 2.034 11.675 ( -0.000 -4.885 -0.326) 4.896 12.306 ( 0.000 8.582 -3.037) 9.103 12.592 ( 0.000 -4.194 -3.870) 5.707 13.079 ( 0.000 0.627 6.489) 6.520 13.107 ( 0.000 -0.530 6.434) 6.456 14.549 ( 0.000 0.665 -5.168) 5.210 14.580 ( 0.000 -0.647 -5.706) 5.742 17.102 ( 0.000 2.361 9.007) 9.311 17.289 ( 0.000 -5.684 -4.912) 7.512 17.921 ( 0.000 8.069 -6.073) 10.099 17.938 ( 0.000 5.187 4.100) 6.612 18.292 ( 0.000 -0.354 5.815) 5.826 18.496 ( 0.000 -1.571 -3.768) 4.083 18.543 ( 0.000 0.283 0.921) 0.963 18.752 ( 0.000 -13.897 1.838) 14.018 19.025 ( 0.000 -2.960 2.137) 3.651 19.026 ( -0.000 -0.533 1.085) 1.209 19.522 ( 0.000 12.954 -6.408) 14.452 19.850 ( 0.000 -4.066 -11.043) 11.768 ======================= Grid point 91 (36/105) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 0.862 ( 0.000 -2.079 7.728) 8.003 0.862 ( 0.000 2.079 7.728) 8.003 1.148 ( 0.000 -4.620 9.364) 10.441 1.148 ( 0.000 4.620 9.364) 10.441 1.950 ( 0.000 -27.766 28.976) 40.132 1.950 ( 0.000 27.766 28.976) 40.132 2.584 ( 0.000 -15.597 5.664) 16.594 2.584 ( 0.000 15.597 5.664) 16.594 2.794 ( 0.000 -19.939 1.433) 19.990 2.794 ( 0.000 19.939 1.433) 19.990 3.153 ( 0.000 -1.364 -4.543) 4.744 3.153 ( 0.000 1.364 -4.543) 4.744 3.445 ( 0.000 -0.649 -2.224) 2.316 3.445 ( 0.000 0.649 -2.224) 2.316 3.604 ( 0.000 -4.093 -8.733) 9.644 3.604 ( 0.000 4.093 -8.733) 9.644 4.200 ( 0.000 -13.227 0.224) 13.228 4.200 ( 0.000 13.227 0.224) 13.228 4.463 ( 0.000 -11.380 -11.872) 16.445 4.463 ( 0.000 11.380 -11.872) 16.445 4.981 ( 0.000 -1.725 8.469) 8.643 4.981 ( 0.000 1.725 8.469) 8.643 5.340 ( 0.000 -1.586 5.312) 5.543 5.340 ( 0.000 1.586 5.312) 5.543 6.421 ( 0.000 -20.817 24.867) 32.430 6.421 ( 0.000 20.817 24.867) 32.430 7.479 ( 0.000 -2.768 1.511) 3.153 7.479 ( 0.000 2.768 1.511) 3.153 8.096 ( 0.000 -4.948 -7.402) 8.904 8.096 ( 0.000 4.948 -7.402) 8.904 8.236 ( 0.000 -8.767 0.399) 8.776 8.236 ( 0.000 8.767 0.399) 8.776 9.394 ( 0.000 -4.113 0.159) 4.117 9.394 ( 0.000 4.113 0.159) 4.117 9.526 ( 0.000 -0.563 2.730) 2.787 9.526 ( 0.000 0.563 2.730) 2.787 10.291 ( 0.000 -12.669 -8.411) 15.207 10.291 ( 0.000 12.669 -8.411) 15.207 10.432 ( 0.000 -1.880 -2.164) 2.867 10.432 ( 0.000 1.880 -2.164) 2.867 11.054 ( 0.000 -8.920 -4.975) 10.213 11.054 ( 0.000 8.920 -4.975) 10.213 12.777 ( 0.000 -8.014 -27.342) 28.492 12.777 ( 0.000 8.014 -27.342) 28.492 13.268 ( 0.000 -0.906 3.933) 4.036 13.268 ( 0.000 0.906 3.933) 4.036 14.238 ( 0.000 -2.607 -4.948) 5.593 14.238 ( 0.000 2.607 -4.948) 5.593 17.518 ( 0.000 -5.929 12.441) 13.782 17.518 ( 0.000 5.929 12.441) 13.782 18.000 ( 0.000 -4.988 6.590) 8.265 18.000 ( 0.000 4.988 6.590) 8.265 18.480 ( 0.000 -0.445 -2.066) 2.113 18.480 ( 0.000 0.445 -2.066) 2.113 19.108 ( 0.000 -1.058 3.473) 3.630 19.108 ( 0.000 1.058 3.473) 3.630 19.474 ( 0.000 -0.443 -7.764) 7.777 19.474 ( 0.000 0.443 -7.764) 7.777 19.942 ( 0.000 -1.950 3.264) 3.802 19.942 ( 0.000 1.950 3.264) 3.802 ======================= Grid point 93 (37/105) ======================= q-point: ( 0.08 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 9.264 -9.051 7.025) 14.734 0.967 ( 9.264 9.051 7.025) 14.734 1.253 ( 9.074 -9.547 9.670) 16.340 1.253 ( 9.074 9.547 9.670) 16.340 2.062 ( 9.918 -25.036 25.279) 36.935 2.062 ( 9.918 25.036 25.279) 36.935 2.642 ( 5.201 -15.077 4.684) 16.622 2.642 ( 5.201 15.077 4.684) 16.622 2.822 ( 2.704 -19.485 1.274) 19.713 2.822 ( 2.704 19.485 1.274) 19.713 3.190 ( 2.344 -5.909 -3.367) 7.194 3.190 ( 2.344 5.909 -3.367) 7.194 3.473 ( 2.632 -1.689 -1.880) 3.649 3.473 ( 2.632 1.689 -1.880) 3.649 3.652 ( 5.024 -3.073 -8.238) 10.127 3.652 ( 5.024 3.073 -8.238) 10.127 4.218 ( 1.771 -10.110 -0.382) 10.271 4.218 ( 1.771 10.110 -0.382) 10.271 4.481 ( 1.867 -10.219 -8.827) 13.632 4.481 ( 1.867 10.219 -8.827) 13.632 4.932 ( -3.936 -3.985 7.355) 9.245 4.932 ( -3.936 3.985 7.355) 9.245 5.289 ( -4.841 -1.698 5.560) 7.565 5.289 ( -4.841 1.698 5.560) 7.565 6.364 ( -4.176 -19.418 22.567) 30.063 6.364 ( -4.176 19.418 22.567) 30.063 7.457 ( -1.918 -2.753 1.690) 3.757 7.457 ( -1.918 2.753 1.690) 3.757 8.177 ( 3.100 -9.761 -7.362) 12.613 8.177 ( 3.100 9.761 -7.362) 12.613 8.316 ( 7.988 -12.179 -1.017) 14.600 8.316 ( 7.988 12.179 -1.017) 14.600 9.431 ( 3.852 -4.880 -0.788) 6.267 9.431 ( 3.852 4.880 -0.788) 6.267 9.512 ( -1.118 -1.225 2.679) 3.151 9.512 ( -1.118 1.225 2.679) 3.151 10.274 ( -1.548 -11.633 -8.438) 14.454 10.274 ( -1.548 11.633 -8.438) 14.454 10.439 ( 0.406 -3.778 -1.305) 4.018 10.439 ( 0.406 3.778 -1.305) 4.018 11.124 ( 6.425 -8.645 -5.846) 12.256 11.124 ( 6.425 8.645 -5.846) 12.256 12.669 ( -8.744 -7.480 -21.055) 23.994 12.669 ( -8.744 7.480 -21.055) 23.994 13.256 ( -1.152 -0.815 4.136) 4.370 13.256 ( -1.152 0.815 4.136) 4.370 14.308 ( 5.597 -3.805 -7.182) 9.868 14.308 ( 5.597 3.805 -7.182) 9.868 17.474 ( -3.803 -4.159 11.790) 13.067 17.474 ( -3.803 4.159 11.790) 13.067 18.004 ( 0.318 -4.643 5.694) 7.354 18.004 ( 0.318 4.643 5.694) 7.354 18.483 ( 0.214 -0.300 -2.141) 2.173 18.483 ( 0.214 0.300 -2.141) 2.173 19.086 ( -2.442 -1.202 3.185) 4.190 19.086 ( -2.442 1.202 3.185) 4.190 19.313 ( -11.654 -7.491 -2.530) 14.083 19.313 ( -11.654 7.491 -2.530) 14.083 19.970 ( 0.828 -5.111 -1.052) 5.283 19.970 ( 0.828 5.111 -1.052) 5.283 ======================= Grid point 95 (38/105) ======================= q-point: ( 0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 13.478 -8.720 6.276) 17.236 1.211 ( 13.478 8.720 6.276) 17.236 1.478 ( 11.876 -12.275 9.256) 19.427 1.478 ( 11.876 12.275 9.256) 19.427 2.294 ( 10.343 -18.040 16.744) 26.698 2.294 ( 10.343 18.040 16.744) 26.698 2.774 ( 6.867 -12.372 1.393) 14.218 2.774 ( 6.867 12.372 1.393) 14.218 2.912 ( 6.088 -17.679 2.243) 18.831 2.912 ( 6.088 17.679 2.243) 18.831 3.209 ( -0.534 -7.177 -1.094) 7.279 3.209 ( -0.534 7.177 -1.094) 7.279 3.538 ( 3.108 -2.311 -1.522) 4.161 3.538 ( 3.108 2.311 -1.522) 4.161 3.818 ( 10.004 -2.294 -6.075) 11.926 3.818 ( 10.004 2.294 -6.075) 11.926 4.271 ( 3.297 -2.772 -1.260) 4.488 4.271 ( 3.297 2.772 -1.260) 4.488 4.545 ( 3.850 -5.951 1.194) 7.187 4.545 ( 3.850 5.951 1.194) 7.187 4.870 ( -0.357 -4.924 0.121) 4.938 4.870 ( -0.357 4.924 0.121) 4.938 5.150 ( -8.061 -1.625 4.716) 9.480 5.150 ( -8.061 1.625 4.716) 9.480 6.287 ( -2.867 -20.636 18.602) 27.930 6.287 ( -2.867 20.636 18.602) 27.930 7.408 ( -2.655 -2.320 2.188) 4.150 7.408 ( -2.655 2.320 2.188) 4.150 8.210 ( 0.751 -9.712 -5.965) 11.423 8.210 ( 0.751 9.712 -5.965) 11.423 8.436 ( 2.074 -13.888 -1.074) 14.083 8.436 ( 2.074 13.888 -1.074) 14.083 9.461 ( -2.198 -2.386 2.350) 4.006 9.461 ( -2.198 2.386 2.350) 4.006 9.576 ( 7.854 -7.260 -2.519) 10.988 9.576 ( 7.854 7.260 -2.519) 10.988 10.233 ( -2.287 -9.618 -8.420) 12.986 10.233 ( -2.287 9.618 -8.420) 12.986 10.437 ( -0.763 -4.454 0.210) 4.524 10.437 ( -0.763 4.454 0.210) 4.524 11.292 ( 8.832 -8.584 -6.665) 14.004 11.292 ( 8.832 8.584 -6.665) 14.004 12.489 ( -7.353 -2.915 -11.763) 14.175 12.489 ( -7.353 2.915 -11.763) 14.175 13.223 ( -1.912 -0.605 4.488) 4.915 13.223 ( -1.912 0.605 4.488) 4.915 14.423 ( 4.793 -3.825 -8.407) 10.406 14.423 ( 4.793 3.825 -8.407) 10.406 17.382 ( -4.639 -1.037 9.572) 10.688 17.382 ( -4.639 1.037 9.572) 10.688 18.010 ( 0.254 -4.057 3.580) 5.417 18.010 ( 0.254 4.057 3.580) 5.417 18.488 ( 0.313 -0.069 -2.296) 2.318 18.488 ( 0.313 0.069 -2.296) 2.318 18.961 ( -9.632 -8.397 2.691) 13.059 18.961 ( -9.632 8.397 2.691) 13.059 19.139 ( -3.999 -5.596 1.161) 6.975 19.139 ( -3.999 5.596 1.161) 6.975 19.948 ( -2.693 -7.079 -4.369) 8.744 19.948 ( -2.693 7.079 -4.369) 8.744 ======================= Grid point 97 (39/105) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 13.573 -4.091 6.106) 15.435 1.499 ( 13.573 4.091 6.106) 15.435 1.736 ( 12.907 -11.241 6.144) 18.186 1.736 ( 12.907 11.241 6.144) 18.186 2.434 ( 2.978 -10.115 9.513) 14.202 2.434 ( 2.978 10.115 9.513) 14.202 2.905 ( 5.469 -8.111 -4.007) 10.571 2.905 ( 5.469 8.111 -4.007) 10.571 3.067 ( 7.645 -10.994 4.738) 14.204 3.067 ( 7.645 10.994 4.738) 14.204 3.191 ( -0.161 -4.891 0.509) 4.920 3.191 ( -0.161 4.891 0.509) 4.920 3.587 ( 1.419 -2.053 -1.838) 3.099 3.587 ( 1.419 2.053 -1.838) 3.099 3.989 ( 4.966 -5.219 -4.251) 8.365 3.989 ( 4.966 5.219 -4.251) 8.365 4.326 ( -0.346 -10.209 7.713) 12.800 4.326 ( -0.346 10.209 7.713) 12.800 4.647 ( 8.297 -4.068 1.285) 9.329 4.647 ( 8.297 4.068 1.285) 9.329 4.888 ( -4.974 -2.255 3.167) 6.313 4.888 ( -4.974 2.255 3.167) 6.313 5.058 ( 6.375 -7.148 -6.821) 11.758 5.058 ( 6.375 7.148 -6.821) 11.758 6.249 ( -0.798 -23.482 15.685) 28.250 6.249 ( -0.798 23.482 15.685) 28.250 7.350 ( -2.789 -1.350 2.361) 3.895 7.350 ( -2.789 1.350 2.361) 3.895 8.212 ( -0.592 -9.059 -6.630) 11.241 8.212 ( -0.592 9.059 -6.630) 11.241 8.429 ( -1.589 -10.146 2.059) 10.474 8.429 ( -1.589 10.146 2.059) 10.474 9.404 ( -3.073 -3.448 3.724) 5.933 9.404 ( -3.073 3.448 3.724) 5.933 9.738 ( 6.806 -7.194 -3.554) 10.522 9.738 ( 6.806 7.194 -3.554) 10.522 10.182 ( -2.434 -6.969 -8.471) 11.236 10.182 ( -2.434 6.969 -8.471) 11.236 10.405 ( -2.247 -3.905 1.443) 4.730 10.405 ( -2.247 3.905 1.443) 4.730 11.457 ( 6.505 -9.340 -5.371) 12.586 11.457 ( 6.505 9.340 -5.371) 12.586 12.392 ( -1.825 -4.490 -6.285) 7.937 12.392 ( -1.825 4.490 -6.285) 7.937 13.179 ( -2.206 -0.437 5.007) 5.489 13.179 ( -2.206 0.437 5.007) 5.489 14.500 ( 2.704 -2.763 -7.485) 8.424 14.500 ( 2.704 2.763 -7.485) 8.424 17.293 ( -3.746 -2.280 6.683) 7.993 17.293 ( -3.746 2.280 6.683) 7.993 18.015 ( 0.174 -3.558 1.234) 3.770 18.015 ( 0.174 3.558 1.234) 3.770 18.493 ( -0.036 -0.589 -2.593) 2.659 18.493 ( -0.036 0.589 -2.593) 2.659 18.760 ( -8.867 -12.414 3.881) 15.742 18.760 ( -8.867 12.414 3.881) 15.742 19.087 ( -1.830 -2.225 1.317) 3.168 19.087 ( -1.830 2.225 1.317) 3.168 19.874 ( -3.980 -8.005 -6.211) 10.886 19.874 ( -3.980 8.005 -6.211) 10.886 ======================= Grid point 99 (40/105) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 10.089 -4.539 5.428) 12.323 1.750 ( 10.089 4.539 5.428) 12.323 2.011 ( 13.247 -8.185 2.372) 15.751 2.011 ( 13.247 8.185 2.372) 15.751 2.443 ( -1.215 -7.228 7.172) 10.255 2.443 ( -1.215 7.228 7.172) 10.255 2.993 ( 2.633 -2.126 -6.952) 7.732 2.993 ( 2.633 2.126 -6.952) 7.732 3.131 ( -0.108 -4.576 -0.593) 4.616 3.131 ( -0.108 4.576 -0.593) 4.616 3.287 ( 7.790 -6.620 5.204) 11.471 3.287 ( 7.790 6.620 5.204) 11.471 3.599 ( 0.017 -4.882 -3.078) 5.772 3.599 ( 0.017 4.882 -3.078) 5.772 4.035 ( 0.397 -7.185 -1.965) 7.459 4.035 ( 0.397 7.185 -1.965) 7.459 4.230 ( -7.543 -8.533 11.674) 16.310 4.230 ( -7.543 8.533 11.674) 16.310 4.665 ( -8.698 -4.833 2.776) 10.330 4.665 ( -8.698 4.833 2.776) 10.330 4.958 ( 14.083 -1.367 -2.016) 14.292 4.958 ( 14.083 1.367 -2.016) 14.292 5.298 ( 12.887 -7.299 -8.030) 16.847 5.298 ( 12.887 7.299 -8.030) 16.847 6.252 ( 1.022 -25.540 13.969) 29.128 6.252 ( 1.022 25.540 13.969) 29.128 7.293 ( -2.627 -0.963 2.087) 3.490 7.293 ( -2.627 0.963 2.087) 3.490 8.188 ( -1.518 -7.515 -7.246) 10.549 8.188 ( -1.518 7.515 -7.246) 10.549 8.402 ( -0.833 -7.825 3.762) 8.722 8.402 ( -0.833 7.825 3.762) 8.722 9.341 ( -2.858 -4.530 5.315) 7.545 9.341 ( -2.858 4.530 5.315) 7.545 9.839 ( 2.713 -5.968 -2.369) 6.971 9.839 ( 2.713 5.968 -2.369) 6.971 10.142 ( -1.070 -4.670 -8.878) 10.088 10.142 ( -1.070 4.670 -8.878) 10.088 10.350 ( -2.826 -4.191 2.330) 5.566 10.350 ( -2.826 4.191 2.330) 5.566 11.554 ( 2.988 -8.402 -2.449) 9.248 11.554 ( 2.988 8.402 -2.449) 9.248 12.401 ( 2.059 -8.746 -4.254) 9.941 12.401 ( 2.059 8.746 -4.254) 9.941 13.136 ( -1.883 -0.554 5.655) 5.986 13.136 ( -1.883 0.554 5.655) 5.986 14.540 ( 1.326 -1.746 -6.328) 6.697 14.540 ( 1.326 1.746 -6.328) 6.697 17.228 ( -2.502 -3.952 4.312) 6.361 17.228 ( -2.502 3.952 4.312) 6.361 18.017 ( 0.070 -2.894 -0.638) 2.965 18.017 ( 0.070 2.894 -0.638) 2.965 18.475 ( -2.174 -3.704 -2.753) 5.101 18.475 ( -2.174 3.704 -2.753) 5.101 18.614 ( -4.557 -9.960 5.264) 12.152 18.614 ( -4.557 9.960 5.264) 12.152 19.052 ( -1.514 -0.920 1.155) 2.115 19.052 ( -1.514 0.920 1.155) 2.115 19.797 ( -3.211 -8.476 -7.633) 11.850 19.797 ( -3.211 8.476 -7.633) 11.850 ======================= Grid point 101 (41/105) ======================= q-point: ( 0.42 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 5.002 -10.712 3.063) 12.212 1.908 ( 5.002 10.712 3.063) 12.212 2.253 ( 8.568 -6.548 0.728) 10.809 2.253 ( 8.568 6.548 0.728) 10.809 2.423 ( 0.383 -6.573 8.705) 10.914 2.423 ( 0.383 6.573 8.705) 10.914 3.006 ( -1.067 -3.472 -5.990) 7.006 3.006 ( -1.067 3.472 -5.990) 7.006 3.131 ( 0.157 -4.391 -7.823) 8.973 3.131 ( 0.157 4.391 -7.823) 8.973 3.429 ( 4.818 -2.622 4.779) 7.275 3.429 ( 4.818 2.622 4.779) 7.275 3.616 ( 2.680 -5.279 -1.624) 6.139 3.616 ( 2.680 5.279 -1.624) 6.139 3.997 ( -6.211 -1.666 6.905) 9.436 3.997 ( -6.211 1.666 6.905) 9.436 4.083 ( -3.462 -9.851 2.493) 10.735 4.083 ( -3.462 9.851 2.493) 10.735 4.509 ( -5.402 -4.086 3.365) 7.563 4.509 ( -5.402 4.086 3.365) 7.563 5.211 ( 8.879 -1.444 -3.733) 9.740 5.211 ( 8.879 1.444 -3.733) 9.740 5.530 ( 8.503 -7.316 -6.693) 13.062 5.530 ( 8.503 7.316 -6.693) 13.062 6.281 ( 1.435 -26.342 13.149) 29.476 6.281 ( 1.435 26.342 13.149) 29.476 7.246 ( -1.806 -2.049 1.756) 3.247 7.246 ( -1.806 2.049 1.756) 3.247 8.160 ( -1.030 -5.885 -7.647) 9.704 8.160 ( -1.030 5.885 -7.647) 9.704 8.393 ( -0.114 -6.839 4.087) 7.968 8.393 ( -0.114 6.839 4.087) 7.968 9.292 ( -1.655 -5.164 6.856) 8.742 9.292 ( -1.655 5.164 6.856) 8.742 9.855 ( -0.575 -6.430 -1.341) 6.593 9.855 ( -0.575 6.430 -1.341) 6.593 10.142 ( 0.784 -3.528 -8.858) 9.567 10.142 ( 0.784 3.528 -8.858) 9.567 10.297 ( -2.090 -5.439 2.884) 6.501 10.297 ( -2.090 5.439 2.884) 6.501 11.593 ( 1.027 -5.004 0.079) 5.109 11.593 ( 1.027 5.004 0.079) 5.109 12.450 ( 2.103 -8.727 -3.768) 9.736 12.450 ( 2.103 8.727 -3.768) 9.736 13.105 ( -1.044 -0.754 6.248) 6.379 13.105 ( -1.044 0.754 6.248) 6.379 14.559 ( 0.545 -1.123 -5.625) 5.761 14.559 ( 0.545 1.123 -5.625) 5.761 17.189 ( -1.248 -4.925 2.855) 5.828 17.189 ( -1.248 4.925 2.855) 5.828 18.017 ( -0.063 -1.785 -1.766) 2.512 18.017 ( -0.063 1.785 -1.766) 2.512 18.410 ( -3.012 -9.183 -0.171) 9.666 18.410 ( -3.012 9.183 -0.171) 9.666 18.569 ( -0.665 -4.155 3.741) 5.630 18.569 ( -0.665 4.155 3.741) 5.630 19.025 ( -1.006 -0.277 1.110) 1.524 19.025 ( -1.006 0.277 1.110) 1.524 19.747 ( -1.604 -8.550 -8.635) 12.257 19.747 ( -1.604 8.550 -8.635) 12.257 ======================= Grid point 103 (42/105) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 -13.975 1.616) 14.068 1.959 ( 0.000 13.975 1.616) 14.068 2.328 ( 0.000 -10.675 1.838) 10.832 2.328 ( 0.000 10.675 1.838) 10.832 2.455 ( 0.000 -3.747 9.519) 10.230 2.455 ( 0.000 3.747 9.519) 10.230 2.985 ( 0.000 -4.634 -7.027) 8.417 2.985 ( 0.000 4.634 -7.027) 8.417 3.132 ( 0.000 -2.353 -10.586) 10.844 3.132 ( 0.000 2.353 -10.586) 10.844 3.472 ( 0.000 -6.027 1.234) 6.152 3.472 ( 0.000 6.027 1.234) 6.152 3.689 ( -0.000 -0.003 3.810) 3.810 3.689 ( 0.000 0.003 3.810) 3.810 3.873 ( 0.000 -4.044 7.735) 8.728 3.873 ( 0.000 4.044 7.735) 8.728 4.063 ( 0.000 -10.741 -0.310) 10.746 4.063 ( 0.000 10.741 -0.310) 10.746 4.453 ( 0.000 -1.501 3.838) 4.121 4.453 ( 0.000 1.501 3.838) 4.121 5.305 ( 0.000 -1.458 -4.242) 4.486 5.305 ( 0.000 1.458 -4.242) 4.486 5.623 ( 0.000 -7.156 -6.193) 9.464 5.623 ( 0.000 7.156 -6.193) 9.464 6.298 ( 0.000 -26.468 12.926) 29.455 6.298 ( 0.000 26.468 12.926) 29.455 7.226 ( 0.000 -2.520 1.634) 3.004 7.226 ( 0.000 2.520 1.634) 3.004 8.149 ( 0.000 -5.240 -7.920) 9.496 8.149 ( 0.000 5.240 -7.920) 9.496 8.392 ( 0.000 -6.486 4.121) 7.685 8.392 ( 0.000 6.486 4.121) 7.685 9.275 ( 0.000 -5.351 7.548) 9.252 9.275 ( 0.000 5.351 7.548) 9.252 9.845 ( 0.000 -6.769 -1.179) 6.871 9.845 ( 0.000 6.769 -1.179) 6.871 10.155 ( 0.000 -2.836 -8.778) 9.224 10.155 ( 0.000 2.836 -8.778) 9.224 10.273 ( 0.000 -6.231 3.265) 7.035 10.273 ( 0.000 6.232 3.265) 7.035 11.603 ( 0.000 -2.060 1.006) 2.292 11.603 ( 0.000 2.060 1.006) 2.292 12.473 ( 0.000 -7.938 -3.696) 8.756 12.473 ( 0.000 7.938 -3.696) 8.756 13.094 ( 0.000 -0.825 6.498) 6.550 13.094 ( 0.000 0.825 6.498) 6.550 14.565 ( 0.000 -0.916 -5.405) 5.482 14.565 ( 0.000 0.916 -5.405) 5.482 17.176 ( 0.000 -5.253 2.368) 5.762 17.176 ( 0.000 5.253 2.368) 5.762 18.016 ( 0.000 -0.896 -2.129) 2.309 18.016 ( 0.000 0.896 -2.128) 2.309 18.377 ( 0.000 -10.034 0.879) 10.072 18.377 ( 0.000 10.034 0.879) 10.072 18.564 ( 0.000 -2.913 3.109) 4.260 18.564 ( 0.000 2.913 3.109) 4.260 19.014 ( 0.000 -0.486 1.106) 1.208 19.014 ( 0.000 0.486 1.106) 1.208 19.730 ( 0.000 -8.513 -8.998) 12.387 19.730 ( 0.000 8.514 -8.998) 12.387 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 0.881 ( 0.000 0.000 27.068) 27.068 1.080 ( 0.000 0.000 25.358) 25.358 1.949 ( 0.000 0.000 8.073) 8.073 1.995 ( 0.000 0.000 16.928) 16.928 2.027 ( 0.000 0.000 15.297) 15.297 2.201 ( 0.000 0.000 41.479) 41.479 2.207 ( 0.000 0.000 9.814) 9.814 2.708 ( 0.000 0.000 3.851) 3.851 2.964 ( 0.000 0.000 -5.903) 5.903 3.070 ( 0.000 0.000 -0.692) 0.692 3.099 ( 0.000 0.000 -9.523) 9.523 3.241 ( 0.000 0.000 -12.169) 12.169 3.351 ( 0.000 0.000 -10.947) 10.947 3.508 ( 0.000 0.000 -7.877) 7.877 3.572 ( 0.000 0.000 22.742) 22.742 3.630 ( 0.000 0.000 -2.855) 2.855 3.827 ( 0.000 0.000 15.801) 15.801 4.132 ( 0.000 0.000 -12.294) 12.294 4.252 ( 0.000 0.000 -20.252) 20.252 4.428 ( 0.000 0.000 11.979) 11.979 5.018 ( 0.000 0.000 11.680) 11.680 5.277 ( 0.000 0.000 -3.371) 3.371 5.413 ( 0.000 0.000 5.958) 5.958 5.504 ( 0.000 0.000 11.820) 11.820 6.470 ( 0.000 0.000 30.656) 30.656 7.331 ( 0.000 0.000 14.076) 14.076 7.410 ( 0.000 0.000 0.078) 0.078 7.561 ( 0.000 0.000 2.567) 2.567 7.775 ( 0.000 0.000 -6.350) 6.350 8.006 ( 0.000 0.000 -3.638) 3.638 8.096 ( 0.000 0.000 -7.831) 7.831 8.583 ( 0.000 0.000 3.367) 3.367 9.369 ( 0.000 0.000 5.474) 5.474 9.536 ( 0.000 0.000 1.178) 1.178 9.559 ( 0.000 0.000 0.357) 0.357 9.648 ( 0.000 0.000 1.051) 1.051 9.813 ( 0.000 0.000 -7.422) 7.422 10.261 ( 0.000 0.000 -5.618) 5.618 10.379 ( 0.000 0.000 -14.449) 14.449 10.387 ( 0.000 0.000 -10.913) 10.913 10.511 ( 0.000 0.000 9.314) 9.314 11.133 ( 0.000 0.000 -1.437) 1.437 12.007 ( 0.000 0.000 -13.341) 13.341 12.475 ( 0.000 0.000 -22.245) 22.245 13.370 ( 0.000 0.000 7.716) 7.716 13.370 ( 0.000 0.000 5.598) 5.598 14.089 ( 0.000 0.000 -6.230) 6.230 14.178 ( 0.000 0.000 -7.327) 7.327 17.420 ( 0.000 0.000 -3.170) 3.170 17.788 ( 0.000 0.000 -5.440) 5.440 18.180 ( 0.000 0.000 18.786) 18.786 18.240 ( 0.000 0.000 -0.490) 0.490 18.336 ( 0.000 0.000 -9.636) 9.636 18.734 ( 0.000 0.000 1.846) 1.846 19.093 ( 0.000 0.000 -2.531) 2.531 19.243 ( 0.000 0.000 -14.528) 14.528 19.255 ( 0.000 0.000 9.252) 9.252 19.303 ( 0.000 0.000 -8.311) 8.311 19.884 ( 0.000 0.000 -2.941) 2.941 20.054 ( 0.000 0.000 -3.616) 3.616 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 14.198 0.000 22.476) 26.585 1.160 ( 7.268 0.000 23.190) 24.302 1.870 ( -3.591 0.000 8.546) 9.270 2.069 ( 6.141 0.000 13.754) 15.063 2.151 ( 7.879 0.000 14.158) 16.203 2.249 ( 4.253 0.000 10.428) 11.262 2.270 ( 6.357 0.000 37.875) 38.405 2.755 ( 3.973 0.000 3.227) 5.119 2.985 ( 1.836 0.000 -5.272) 5.582 3.104 ( 1.536 0.000 -9.237) 9.364 3.213 ( 7.682 0.000 -1.307) 7.792 3.298 ( 5.378 0.000 -10.760) 12.029 3.367 ( 5.419 0.000 -5.101) 7.442 3.495 ( -1.142 0.000 -7.320) 7.408 3.650 ( 6.140 0.000 13.845) 15.146 3.684 ( 4.901 0.000 -2.724) 5.607 3.912 ( 8.395 0.000 14.423) 16.689 4.058 ( -5.675 0.000 -10.619) 12.040 4.312 ( 5.087 0.000 -18.486) 19.173 4.445 ( 1.757 0.000 10.924) 11.065 4.949 ( -5.586 0.000 11.850) 13.100 5.229 ( -4.584 0.000 -3.490) 5.762 5.380 ( -3.640 0.000 5.672) 6.740 5.441 ( -5.774 0.000 11.028) 12.448 6.417 ( -4.764 0.000 30.296) 30.668 7.218 ( -6.169 0.000 20.093) 21.018 7.391 ( -1.502 0.000 0.047) 1.502 7.561 ( 0.053 0.000 2.237) 2.238 7.829 ( 3.759 0.000 -6.726) 7.705 8.049 ( 4.190 0.000 -2.710) 4.990 8.309 ( 12.563 0.000 -18.770) 22.586 8.566 ( -1.637 0.000 2.944) 3.368 9.373 ( 0.702 0.000 4.450) 4.505 9.540 ( -1.826 0.000 0.299) 1.850 9.613 ( 6.803 0.000 -1.119) 6.895 9.644 ( -0.161 0.000 1.749) 1.756 9.810 ( -0.173 0.000 -7.803) 7.805 10.250 ( -1.157 0.000 -4.750) 4.889 10.328 ( -2.720 0.000 -11.162) 11.489 10.469 ( 5.507 0.000 -11.552) 12.798 10.534 ( 3.016 0.000 6.941) 7.568 11.199 ( 6.200 0.000 -2.027) 6.523 12.055 ( 4.458 0.000 -12.969) 13.713 12.415 ( -5.430 0.000 -19.873) 20.602 13.354 ( -1.133 0.000 6.609) 6.706 13.371 ( -0.378 0.000 7.096) 7.106 14.108 ( 2.188 0.000 -6.395) 6.759 14.226 ( 3.856 0.000 -9.105) 9.888 17.391 ( -2.597 0.000 -3.539) 4.390 17.796 ( 0.562 0.000 -5.365) 5.394 18.143 ( -3.707 0.000 14.043) 14.524 18.228 ( -1.327 0.000 5.828) 5.977 18.345 ( 0.871 0.000 -9.283) 9.323 18.715 ( -1.829 0.000 2.130) 2.807 19.069 ( -16.646 0.000 1.107) 16.683 19.080 ( -1.255 0.000 -3.238) 3.473 19.225 ( -2.583 0.000 8.921) 9.287 19.245 ( -2.400 0.000 -11.266) 11.519 19.851 ( -3.168 0.000 -2.315) 3.923 20.004 ( -4.233 0.000 -7.014) 8.192 ======================= Grid point 132 (45/105) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 12.617 0.000 17.819) 21.834 1.355 ( 10.866 0.000 18.276) 21.262 1.830 ( -0.095 0.000 8.473) 8.474 2.204 ( 6.464 0.000 5.640) 8.579 2.307 ( 6.669 0.000 9.690) 11.763 2.384 ( 8.044 0.000 12.308) 14.703 2.445 ( 9.481 0.000 30.746) 32.175 2.852 ( 5.056 0.000 0.024) 5.056 3.032 ( 2.584 0.000 -3.481) 4.335 3.134 ( 1.204 0.000 -9.207) 9.285 3.264 ( 0.524 0.000 3.423) 3.462 3.435 ( 4.495 0.000 -8.339) 9.474 3.471 ( 1.397 0.000 -3.513) 3.780 3.664 ( 18.196 0.000 -3.414) 18.514 3.764 ( 3.714 0.000 4.715) 6.002 3.820 ( 7.848 0.000 -1.223) 7.943 3.929 ( -5.882 0.000 -4.998) 7.719 4.171 ( 15.824 0.000 11.131) 19.346 4.478 ( 11.266 0.000 -14.410) 18.291 4.512 ( 5.112 0.000 6.469) 8.245 4.832 ( -4.699 0.000 9.071) 10.216 5.090 ( -8.547 0.000 -3.473) 9.225 5.247 ( -9.150 0.000 4.948) 10.402 5.280 ( -9.327 0.000 8.489) 12.611 6.295 ( -6.342 0.000 29.249) 29.929 7.154 ( -0.178 0.000 20.999) 21.000 7.355 ( -2.035 0.000 -0.219) 2.047 7.551 ( -1.349 0.000 3.234) 3.504 7.891 ( 2.105 0.000 -5.540) 5.926 8.150 ( 4.231 0.000 -1.618) 4.530 8.451 ( 1.140 0.000 -19.811) 19.844 8.522 ( -2.269 0.000 1.619) 2.787 9.414 ( 3.340 0.000 1.477) 3.652 9.484 ( -3.395 0.000 1.299) 3.635 9.653 ( 1.363 0.000 3.692) 3.935 9.757 ( 5.556 0.000 -5.645) 7.921 9.811 ( 0.426 0.000 -7.590) 7.602 10.208 ( -2.882 0.000 -3.480) 4.518 10.282 ( -1.489 0.000 -6.550) 6.717 10.512 ( -0.218 0.000 -2.535) 2.544 10.734 ( 14.128 0.000 -6.329) 15.481 11.378 ( 10.617 0.000 -3.124) 11.067 12.178 ( 6.914 0.000 -11.924) 13.783 12.271 ( -7.918 0.000 -14.324) 16.367 13.325 ( -1.555 0.000 6.992) 7.163 13.355 ( -1.082 0.000 7.792) 7.867 14.178 ( 4.213 0.000 -7.876) 8.932 14.309 ( 3.665 0.000 -10.803) 11.407 17.325 ( -3.399 0.000 -4.391) 5.553 17.804 ( 0.111 0.000 -5.236) 5.238 18.010 ( -9.390 0.000 14.198) 17.022 18.187 ( -2.363 0.000 12.687) 12.905 18.368 ( 1.262 0.000 -8.196) 8.292 18.658 ( -3.593 0.000 2.870) 4.598 18.740 ( -12.047 0.000 9.067) 15.077 19.037 ( -2.892 0.000 -4.222) 5.117 19.164 ( -2.920 0.000 7.484) 8.033 19.192 ( -2.545 0.000 -11.217) 11.502 19.754 ( -6.089 0.000 -0.869) 6.150 19.897 ( -5.775 0.000 -12.108) 13.415 ======================= Grid point 133 (46/105) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 6.990 0.000 12.534) 14.352 1.593 ( 11.731 0.000 12.571) 17.194 1.874 ( 4.580 0.000 8.936) 10.041 2.342 ( 6.911 0.000 -1.363) 7.045 2.432 ( 5.584 0.000 8.560) 10.220 2.545 ( 6.973 0.000 11.102) 13.110 2.607 ( 5.254 0.000 18.933) 19.648 2.951 ( 4.005 0.000 -4.935) 6.356 3.095 ( 3.733 0.000 -1.595) 4.059 3.151 ( 0.304 0.000 -6.563) 6.570 3.279 ( 0.884 0.000 3.929) 4.027 3.403 ( -2.843 0.000 -3.703) 4.668 3.606 ( 6.510 0.000 -0.630) 6.540 3.745 ( -5.735 0.000 -2.721) 6.347 3.802 ( -1.236 0.000 -0.284) 1.268 3.985 ( 7.327 0.000 2.446) 7.725 4.083 ( 15.472 0.000 6.138) 16.646 4.508 ( 13.363 0.000 10.313) 16.880 4.665 ( 9.307 0.000 -4.856) 10.497 4.712 ( 6.948 0.000 -3.752) 7.896 4.830 ( 6.788 0.000 1.163) 6.887 4.907 ( -6.574 0.000 -1.623) 6.772 5.026 ( -9.159 0.000 -1.996) 9.374 5.072 ( -10.076 0.000 5.072) 11.280 6.178 ( -4.385 0.000 27.222) 27.573 7.191 ( 3.253 0.000 18.836) 19.115 7.307 ( -2.461 0.000 -1.277) 2.773 7.497 ( -3.777 0.000 4.316) 5.735 7.920 ( 0.783 0.000 -4.004) 4.080 8.194 ( 0.063 0.000 0.113) 0.130 8.405 ( -4.446 0.000 -14.234) 14.912 8.481 ( -1.578 0.000 0.132) 1.583 9.412 ( -3.138 0.000 3.259) 4.524 9.497 ( 4.038 0.000 -1.073) 4.178 9.708 ( 3.825 0.000 4.842) 6.170 9.830 ( 1.758 0.000 -7.036) 7.252 9.831 ( 1.556 0.000 -5.232) 5.458 10.132 ( -4.317 0.000 -3.342) 5.460 10.265 ( -0.392 0.000 -3.141) 3.165 10.488 ( -1.980 0.000 -1.259) 2.347 11.042 ( 14.516 0.000 -6.661) 15.972 11.621 ( 12.373 0.000 -3.714) 12.918 12.105 ( -7.700 0.000 -8.092) 11.170 12.325 ( 6.881 0.000 -10.346) 12.425 13.292 ( -1.610 0.000 7.761) 7.926 13.329 ( -1.406 0.000 8.500) 8.616 14.267 ( 4.091 0.000 -9.119) 9.994 14.371 ( 2.314 0.000 -11.030) 11.270 17.259 ( -2.857 0.000 -5.367) 6.080 17.782 ( -11.297 0.000 20.021) 22.988 17.798 ( -0.713 0.000 -4.943) 4.994 18.139 ( -2.141 0.000 13.225) 13.397 18.392 ( 0.885 0.000 -7.300) 7.353 18.570 ( -4.611 0.000 3.674) 5.896 18.588 ( -3.580 0.000 4.380) 5.657 18.966 ( -3.662 0.000 -3.677) 5.189 19.113 ( -1.956 0.000 4.373) 4.790 19.146 ( -1.794 0.000 -10.627) 10.777 19.607 ( -7.797 0.000 0.698) 7.829 19.774 ( -5.848 0.000 -15.785) 16.833 ======================= Grid point 134 (47/105) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 2.565 0.000 7.572) 7.995 1.831 ( 10.918 0.000 7.275) 13.120 2.017 ( 8.579 0.000 6.450) 10.733 2.479 ( 5.661 0.000 -6.237) 8.423 2.540 ( 4.383 0.000 6.659) 7.973 2.663 ( 1.042 0.000 12.384) 12.428 2.669 ( 5.181 0.000 6.440) 8.265 3.004 ( 0.962 0.000 -8.023) 8.080 3.133 ( -2.333 0.000 -4.612) 5.169 3.185 ( 3.972 0.000 -2.197) 4.539 3.294 ( 0.276 0.000 2.753) 2.767 3.358 ( -0.261 0.000 1.371) 1.395 3.621 ( -5.277 0.000 3.426) 6.291 3.717 ( 4.264 0.000 1.438) 4.500 3.780 ( -0.480 0.000 0.348) 0.593 4.104 ( 3.751 0.000 6.318) 7.348 4.254 ( 0.760 0.000 8.025) 8.061 4.498 ( -10.167 0.000 -4.205) 11.003 4.662 ( -12.578 0.000 7.981) 14.897 4.796 ( -5.457 0.000 1.631) 5.695 4.942 ( 13.553 0.000 -4.485) 14.276 4.965 ( 9.466 0.000 0.025) 9.466 5.008 ( 10.416 0.000 -0.246) 10.419 5.177 ( 13.541 0.000 -13.153) 18.878 6.122 ( -1.088 0.000 24.345) 24.369 7.261 ( -1.769 0.000 -2.813) 3.323 7.268 ( 3.507 0.000 15.105) 15.507 7.406 ( -4.272 0.000 6.706) 7.951 7.921 ( -0.735 0.000 -4.935) 4.990 8.178 ( -0.912 0.000 2.477) 2.639 8.297 ( -5.400 0.000 -10.148) 11.496 8.454 ( -1.206 0.000 -0.181) 1.219 9.362 ( -1.609 0.000 5.382) 5.618 9.563 ( 2.242 0.000 0.422) 2.281 9.799 ( 4.446 0.000 3.082) 5.410 9.846 ( 0.095 0.000 -7.734) 7.735 9.874 ( 2.393 0.000 -1.266) 2.707 10.037 ( -4.626 0.000 -5.229) 6.981 10.252 ( -1.107 0.000 0.592) 1.255 10.441 ( -2.182 0.000 -1.048) 2.421 11.316 ( 11.729 0.000 -2.550) 12.003 11.872 ( 11.302 0.000 -3.507) 11.834 11.958 ( -6.475 0.000 -2.673) 7.005 12.449 ( 4.798 0.000 -8.460) 9.726 13.261 ( -1.238 0.000 8.702) 8.790 13.300 ( -1.277 0.000 8.984) 9.074 14.340 ( 2.836 0.000 -9.487) 9.902 14.407 ( 1.176 0.000 -10.619) 10.684 17.210 ( -1.804 0.000 -6.204) 6.461 17.574 ( -8.347 0.000 20.780) 22.394 17.776 ( -1.355 0.000 -4.144) 4.360 18.100 ( -1.526 0.000 11.653) 11.753 18.403 ( 0.250 0.000 -6.798) 6.802 18.478 ( -3.974 0.000 3.963) 5.612 18.553 ( -0.383 0.000 1.744) 1.785 18.897 ( -2.813 0.000 -3.169) 4.238 19.079 ( -1.358 0.000 1.921) 2.353 19.118 ( -0.911 0.000 -10.278) 10.318 19.445 ( -7.328 0.000 1.991) 7.594 19.664 ( -4.510 0.000 -18.267) 18.816 ======================= Grid point 135 (48/105) ======================= q-point: ( 0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 1.102 0.000 5.621) 5.728 2.030 ( 7.680 0.000 3.595) 8.480 2.197 ( 7.804 0.000 -0.035) 7.804 2.551 ( 1.175 0.000 -7.098) 7.195 2.570 ( -1.446 0.000 5.454) 5.642 2.713 ( 3.911 0.000 10.777) 11.465 2.778 ( 5.359 0.000 -1.025) 5.456 2.989 ( -2.329 0.000 -10.703) 10.954 3.059 ( -4.161 0.000 -5.856) 7.183 3.216 ( -0.108 0.000 1.889) 1.892 3.280 ( -1.542 0.000 3.293) 3.636 3.435 ( 6.329 0.000 1.419) 6.486 3.541 ( -2.370 0.000 8.600) 8.921 3.794 ( 3.603 0.000 2.518) 4.396 3.804 ( 2.955 0.000 1.736) 3.427 4.091 ( -6.853 0.000 6.944) 9.756 4.174 ( -7.150 0.000 7.771) 10.560 4.328 ( -2.883 0.000 -6.558) 7.164 4.452 ( -6.158 0.000 3.749) 7.210 4.639 ( -6.759 0.000 1.174) 6.860 5.161 ( 7.302 0.000 0.184) 7.304 5.221 ( 10.881 0.000 -4.643) 11.830 5.224 ( 7.952 0.000 -2.893) 8.462 5.401 ( 7.246 0.000 -11.700) 13.762 6.124 ( 0.889 0.000 21.231) 21.250 7.237 ( -0.546 0.000 -3.935) 3.972 7.274 ( -2.691 0.000 3.601) 4.495 7.387 ( 2.233 0.000 17.870) 18.009 7.895 ( -1.403 0.000 -7.917) 8.040 8.169 ( 0.012 0.000 5.363) 5.363 8.197 ( -3.824 0.000 -8.743) 9.542 8.431 ( -0.907 0.000 -0.034) 0.908 9.344 ( -0.323 0.000 7.088) 7.095 9.598 ( 1.244 0.000 3.209) 3.442 9.842 ( -0.320 0.000 -8.505) 8.511 9.869 ( 1.717 0.000 8.910) 9.074 9.920 ( 1.745 0.000 -3.144) 3.596 9.956 ( -2.485 0.000 -10.353) 10.647 10.219 ( -1.725 0.000 3.924) 4.286 10.408 ( -0.953 0.000 -1.082) 1.442 11.529 ( 8.830 0.000 1.568) 8.968 11.832 ( -5.849 0.000 0.906) 5.919 12.071 ( 7.254 0.000 -3.050) 7.869 12.518 ( 1.875 0.000 -6.739) 6.994 13.242 ( -0.567 0.000 9.499) 9.516 13.278 ( -0.825 0.000 9.158) 9.195 14.384 ( 1.412 0.000 -9.399) 9.504 14.423 ( 0.434 0.000 -10.268) 10.277 17.183 ( -0.798 0.000 -6.737) 6.784 17.442 ( -4.312 0.000 19.459) 19.931 17.747 ( -1.197 0.000 -2.964) 3.197 18.076 ( -0.789 0.000 10.254) 10.285 18.405 ( 0.019 0.000 -6.594) 6.594 18.414 ( -2.064 0.000 3.624) 4.171 18.554 ( 0.232 0.000 1.096) 1.121 18.852 ( -1.447 0.000 -3.002) 3.333 19.057 ( -0.751 0.000 0.596) 0.959 19.106 ( -0.346 0.000 -10.139) 10.145 19.319 ( -4.477 0.000 2.850) 5.307 19.592 ( -2.354 0.000 -19.694) 19.834 ======================= Grid point 136 (49/105) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 0.000 5.184) 5.184 2.118 ( 0.000 0.000 2.394) 2.394 2.292 ( -0.000 0.000 -5.133) 5.133 2.541 ( 0.000 0.000 7.011) 7.011 2.555 ( 0.000 0.000 -7.159) 7.159 2.768 ( 0.000 0.000 11.693) 11.693 2.860 ( 0.000 0.000 -2.438) 2.438 2.938 ( 0.000 0.000 -13.773) 13.773 3.003 ( 0.000 0.000 -8.428) 8.428 3.214 ( 0.000 0.000 4.943) 4.943 3.256 ( 0.000 0.000 4.772) 4.772 3.518 ( 0.000 0.000 10.148) 10.148 3.523 ( 0.000 0.000 -0.919) 0.919 3.863 ( -0.000 0.000 1.495) 1.495 3.893 ( -0.000 0.000 6.020) 6.020 3.918 ( 0.000 0.000 1.864) 1.864 4.060 ( 0.000 0.000 9.197) 9.197 4.324 ( -0.000 0.000 -5.078) 5.078 4.395 ( 0.000 0.000 1.575) 1.575 4.560 ( 0.000 0.000 1.993) 1.993 5.240 ( 0.000 0.000 -0.775) 0.775 5.309 ( 0.000 0.000 -2.852) 2.852 5.341 ( 0.000 0.000 -4.633) 4.633 5.474 ( 0.000 0.000 -11.179) 11.179 6.137 ( 0.000 0.000 19.689) 19.689 7.233 ( 0.000 0.000 -4.271) 4.271 7.239 ( 0.000 0.000 2.911) 2.911 7.418 ( 0.000 0.000 18.815) 18.815 7.878 ( 0.000 0.000 -9.441) 9.441 8.155 ( 0.000 0.000 -8.748) 8.748 8.171 ( 0.000 0.000 6.701) 6.701 8.420 ( 0.000 0.000 -0.049) 0.049 9.342 ( 0.000 0.000 7.771) 7.771 9.612 ( 0.000 0.000 4.878) 4.878 9.838 ( 0.000 0.000 -8.878) 8.878 9.874 ( 0.000 0.000 9.710) 9.710 9.939 ( 0.000 0.000 -12.383) 12.383 9.940 ( 0.000 0.000 -2.961) 2.961 10.198 ( 0.000 0.000 5.097) 5.097 10.399 ( 0.000 0.000 -0.925) 0.925 11.665 ( 0.000 0.000 4.783) 4.783 11.728 ( -0.000 0.000 0.583) 0.583 12.151 ( 0.000 0.000 -2.883) 2.883 12.535 ( 0.000 0.000 -5.987) 5.987 13.237 ( 0.000 0.000 9.842) 9.842 13.269 ( 0.000 0.000 9.154) 9.154 14.399 ( 0.000 0.000 -9.285) 9.285 14.427 ( 0.000 0.000 -10.180) 10.180 17.175 ( 0.000 0.000 -6.916) 6.916 17.397 ( 0.000 0.000 18.764) 18.764 17.734 ( 0.000 0.000 -2.366) 2.366 18.068 ( 0.000 0.000 9.723) 9.723 18.393 ( 0.000 0.000 3.351) 3.351 18.405 ( 0.000 0.000 -6.548) 6.548 18.557 ( 0.000 0.000 1.027) 1.027 18.837 ( 0.000 0.000 -2.965) 2.965 19.049 ( 0.000 0.000 0.161) 0.161 19.102 ( 0.000 0.000 -10.109) 10.109 19.271 ( 0.000 0.000 3.166) 3.166 19.568 ( 0.000 0.000 -20.148) 20.148 ======================= Grid point 143 (50/105) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 10.342 24.606) 26.691 1.097 ( 0.000 3.554 25.257) 25.506 1.656 ( 0.000 -19.114 14.236) 23.833 1.658 ( 0.000 -19.034 11.793) 22.392 2.229 ( 0.000 12.587 29.887) 32.429 2.474 ( 0.000 18.850 24.385) 30.821 2.482 ( 0.000 17.421 5.481) 18.263 2.645 ( 0.000 -5.776 7.806) 9.710 2.935 ( 0.000 -2.470 -5.882) 6.380 3.077 ( 0.000 0.026 -2.434) 2.434 3.089 ( 0.000 -2.031 -7.751) 8.013 3.203 ( 0.000 -13.656 15.505) 20.661 3.282 ( 0.000 -3.535 -7.759) 8.526 3.346 ( 0.000 -0.714 -10.665) 10.689 3.552 ( 0.000 -4.557 -3.783) 5.922 3.563 ( 0.000 -6.784 -1.692) 6.992 4.038 ( 0.000 15.302 14.744) 21.249 4.062 ( 0.000 0.032 -9.742) 9.742 4.231 ( 0.000 -2.615 -19.078) 19.257 4.456 ( 0.000 -2.455 7.018) 7.435 5.101 ( 0.000 7.229 10.633) 12.858 5.322 ( 0.000 4.282 -1.199) 4.447 5.347 ( 0.000 -5.314 10.859) 12.090 5.490 ( 0.000 -2.207 6.602) 6.961 6.599 ( 0.000 12.402 28.154) 30.764 7.193 ( 0.000 -12.953 17.553) 21.815 7.445 ( 0.000 3.112 0.625) 3.174 7.549 ( 0.000 -1.354 2.099) 2.498 7.823 ( 0.000 4.558 -7.759) 8.999 8.016 ( 0.000 -1.714 -7.300) 7.499 8.100 ( 0.000 3.536 -3.192) 4.764 8.483 ( 0.000 -10.019 3.519) 10.620 9.380 ( 0.000 0.921 3.791) 3.901 9.455 ( 0.000 -4.864 -1.095) 4.986 9.559 ( 0.000 0.247 0.994) 1.025 9.618 ( 0.000 -2.267 1.773) 2.878 9.908 ( 0.000 9.033 -5.170) 10.408 10.273 ( 0.000 -0.712 -6.077) 6.119 10.313 ( 0.000 -4.661 -12.942) 13.756 10.381 ( 0.000 -1.701 -9.748) 9.895 10.718 ( 0.000 16.540 2.567) 16.738 11.105 ( 0.000 -3.276 -1.366) 3.550 12.093 ( 0.000 8.313 -17.619) 19.482 12.425 ( 0.000 -5.224 -22.980) 23.566 13.371 ( 0.000 0.104 7.346) 7.347 13.372 ( 0.000 0.107 5.842) 5.843 14.097 ( 0.000 0.905 -6.238) 6.303 14.160 ( 0.000 -1.640 -7.095) 7.283 17.457 ( 0.000 3.974 -2.053) 4.473 17.722 ( 0.000 -6.537 -3.925) 7.625 18.203 ( 0.000 1.803 16.712) 16.809 18.236 ( 0.000 -0.322 1.756) 1.786 18.358 ( 0.000 2.781 -7.033) 7.563 18.630 ( 0.000 -9.084 5.469) 10.603 19.104 ( 0.000 1.151 -2.350) 2.617 19.188 ( 0.000 -3.231 -1.290) 3.479 19.277 ( 0.000 0.757 -6.195) 6.241 19.299 ( 0.000 -0.443 -8.462) 8.473 19.909 ( 0.000 2.460 -2.295) 3.365 20.030 ( 0.000 -2.443 -2.112) 3.229 ======================= Grid point 144 (51/105) ======================= q-point: ( 0.08 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 12.467 7.138 21.547) 25.897 1.179 ( 7.590 4.146 23.116) 24.681 1.639 ( 1.503 -15.953 11.884) 19.950 1.778 ( 7.725 -17.813 12.922) 23.323 2.296 ( 6.056 11.716 27.298) 30.317 2.501 ( 1.979 15.824 6.717) 17.304 2.520 ( 3.888 16.959 19.532) 26.158 2.707 ( 5.467 -3.707 7.160) 9.741 2.934 ( 0.211 -4.158 -3.426) 5.392 3.091 ( 1.539 -3.183 -7.138) 7.966 3.187 ( 5.357 -3.484 4.400) 7.758 3.266 ( 6.359 -8.090 4.121) 11.085 3.328 ( 4.859 -0.536 -9.635) 10.804 3.412 ( 6.108 -3.480 -7.153) 10.029 3.547 ( 1.307 -4.692 -2.190) 5.341 3.624 ( 4.811 -7.385 -1.809) 8.998 4.054 ( -0.021 3.501 -10.180) 10.765 4.093 ( 4.991 13.214 13.703) 19.680 4.277 ( 4.804 -3.035 -17.760) 18.647 4.472 ( 1.775 -1.906 6.935) 7.408 5.024 ( -6.456 7.203 11.052) 14.687 5.273 ( -4.726 4.131 -1.369) 6.425 5.301 ( -4.603 -6.115 10.817) 13.251 5.436 ( -5.139 -1.933 5.724) 7.931 6.542 ( -4.991 12.028 28.014) 30.893 7.102 ( -5.785 -11.326 20.650) 24.252 7.426 ( -1.489 3.230 0.896) 3.668 7.544 ( -0.373 -1.715 2.465) 3.026 7.873 ( 3.531 4.520 -7.810) 9.690 8.102 ( 5.626 3.228 -4.587) 7.945 8.206 ( 7.082 -5.968 -10.639) 14.105 8.509 ( 2.700 -7.326 1.215) 7.902 9.386 ( 0.846 1.182 2.779) 3.136 9.499 ( 3.417 -6.222 -2.988) 7.702 9.544 ( -0.688 -0.239 1.280) 1.473 9.610 ( -0.522 -2.596 2.215) 3.452 9.907 ( -0.047 8.779 -5.119) 10.162 10.250 ( -2.184 -3.252 -7.463) 8.429 10.305 ( 0.152 0.225 -9.260) 9.264 10.435 ( 3.505 -3.530 -8.657) 9.984 10.753 ( 3.924 17.258 0.461) 17.704 11.167 ( 5.865 -3.666 -1.970) 7.192 12.117 ( 2.349 6.037 -16.105) 17.359 12.373 ( -4.628 -4.329 -20.422) 21.383 13.357 ( -1.036 0.343 6.645) 6.734 13.370 ( -0.503 -0.160 6.973) 6.993 14.122 ( 2.577 1.478 -6.746) 7.372 14.206 ( 3.746 -1.925 -8.710) 9.675 17.426 ( -2.760 3.829 -2.192) 5.204 17.708 ( -1.532 -8.061 -2.968) 8.725 18.176 ( -2.313 2.789 12.574) 13.086 18.238 ( -0.349 0.454 8.041) 8.062 18.361 ( 0.330 2.172 -7.975) 8.272 18.608 ( -2.145 -8.813 5.474) 10.594 19.068 ( -6.754 0.645 -2.422) 7.204 19.102 ( -5.860 0.406 -3.465) 6.820 19.218 ( -4.411 0.263 0.703) 4.474 19.251 ( -2.415 -0.107 -5.394) 5.911 19.876 ( -3.176 2.418 -2.426) 4.671 19.986 ( -3.831 -1.908 -5.280) 6.797 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.17 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 11.383 2.920 18.781) 22.155 1.420 ( 12.173 5.902 17.022) 21.743 1.712 ( 5.388 -8.786 11.313) 15.304 1.950 ( 8.356 -15.443 10.193) 20.303 2.443 ( 6.963 8.791 19.451) 22.453 2.551 ( 2.713 12.249 4.334) 13.273 2.617 ( 4.673 11.384 15.548) 19.829 2.842 ( 6.385 0.225 1.470) 6.556 2.952 ( 2.129 -5.742 0.201) 6.127 3.135 ( 2.320 -1.891 -6.620) 7.265 3.245 ( 1.942 -2.656 7.478) 8.170 3.374 ( 0.497 -8.205 -0.943) 8.274 3.444 ( 6.752 0.372 -6.081) 9.095 3.582 ( 4.890 -9.889 -0.937) 11.071 3.669 ( 13.556 -0.056 -6.871) 15.198 3.746 ( 5.808 -4.836 -1.064) 7.632 4.098 ( 5.143 10.381 -5.739) 12.929 4.246 ( 10.374 5.880 9.364) 15.161 4.451 ( 11.765 -1.819 -12.113) 16.983 4.547 ( 5.989 -0.238 4.055) 7.236 4.875 ( -6.951 5.528 9.142) 12.745 5.128 ( -8.984 3.447 -0.495) 9.635 5.162 ( -8.427 -6.305 7.851) 13.130 5.279 ( -9.811 -1.908 4.349) 10.900 6.419 ( -6.177 12.145 27.360) 30.565 7.019 ( -2.070 -12.888 21.146) 24.850 7.389 ( -2.076 3.158 0.901) 3.885 7.524 ( -1.827 -2.560 3.804) 4.936 7.932 ( 2.024 4.275 -6.568) 8.094 8.219 ( 4.553 2.484 -4.582) 6.921 8.275 ( 0.266 -6.587 -7.891) 10.283 8.563 ( 1.152 -2.820 -3.238) 4.446 9.423 ( 2.378 1.172 -0.013) 2.651 9.489 ( -1.839 0.593 0.305) 1.956 9.602 ( 1.534 -4.804 1.547) 5.274 9.635 ( 5.229 -6.442 -3.863) 9.152 9.909 ( 0.244 7.751 -4.590) 9.011 10.193 ( -3.274 -2.923 -5.917) 7.367 10.313 ( 0.452 2.772 -6.509) 7.089 10.483 ( 0.709 -3.492 -4.041) 5.387 10.902 ( 10.228 14.794 -4.624) 18.570 11.335 ( 9.771 -4.825 -3.073) 11.322 12.190 ( 4.487 1.254 -13.108) 13.912 12.256 ( -5.959 -1.425 -14.702) 15.927 13.330 ( -1.500 0.504 7.096) 7.271 13.352 ( -1.167 -0.372 7.659) 7.756 14.197 ( 4.240 1.884 -8.363) 9.564 14.290 ( 3.836 -1.887 -10.434) 11.276 17.356 ( -3.697 3.359 -2.583) 5.624 17.651 ( -4.024 -10.954 0.621) 11.686 18.111 ( -3.799 6.373 10.856) 13.148 18.213 ( -1.982 1.743 13.004) 13.269 18.373 ( 0.795 0.901 -8.599) 8.682 18.548 ( -3.213 -7.130 4.060) 8.811 18.839 ( -10.464 6.174 2.538) 12.411 19.020 ( -4.444 -2.234 -4.479) 6.694 19.146 ( -2.738 -0.422 0.906) 2.915 19.191 ( -3.064 -0.856 -2.811) 4.245 19.781 ( -5.764 2.628 -2.765) 6.912 19.885 ( -5.624 -1.415 -10.098) 11.645 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 9.856 5.678 12.677) 17.032 1.633 ( 10.255 4.120 13.065) 17.112 1.853 ( 7.864 -2.057 9.981) 12.872 2.118 ( 7.904 -13.726 6.315) 17.051 2.551 ( 3.098 3.241 13.755) 14.467 2.615 ( 3.688 8.809 2.205) 9.801 2.692 ( 2.254 5.203 8.619) 10.317 2.912 ( 1.065 -4.846 -6.034) 7.812 3.059 ( 6.685 1.086 1.867) 7.026 3.173 ( 1.275 0.657 -3.260) 3.561 3.268 ( -0.888 -2.731 4.422) 5.272 3.376 ( 2.113 -3.227 0.598) 3.904 3.553 ( 1.465 -5.105 -0.190) 5.314 3.620 ( 1.709 -5.470 -1.641) 5.961 3.826 ( 2.373 2.666 -2.217) 4.202 3.961 ( 11.025 -2.868 -3.414) 11.893 4.261 ( 8.359 12.963 6.090) 16.583 4.519 ( 13.512 0.417 8.883) 16.176 4.684 ( 7.878 -0.575 -1.143) 7.981 4.735 ( 8.309 2.965 -5.057) 10.169 4.797 ( 2.065 -1.634 0.693) 2.723 4.931 ( -7.718 1.515 1.906) 8.093 4.986 ( -4.855 -2.981 -3.215) 6.541 5.051 ( -10.889 -2.336 3.223) 11.594 6.307 ( -4.245 12.813 25.731) 29.056 7.005 ( 0.414 -16.779 19.001) 25.353 7.342 ( -2.408 2.739 0.053) 3.647 7.466 ( -3.658 -2.760 4.767) 6.613 7.959 ( 0.555 3.841 -5.334) 6.596 8.238 ( -2.161 -10.150 -9.451) 14.036 8.288 ( 1.071 8.344 0.550) 8.430 8.551 ( -1.700 0.109 -1.350) 2.174 9.416 ( -2.210 1.020 2.215) 3.291 9.503 ( 1.816 -0.280 -1.219) 2.205 9.657 ( 4.320 -2.872 1.709) 5.462 9.744 ( 4.788 -5.615 -7.059) 10.212 9.915 ( 0.238 6.042 -3.751) 7.115 10.113 ( -4.382 -1.866 -3.970) 6.200 10.320 ( 0.092 3.819 -3.720) 5.332 10.469 ( -1.721 -2.231 -0.921) 2.964 11.141 ( 11.842 9.646 -5.115) 16.107 11.548 ( 9.982 -7.293 -3.205) 12.771 12.146 ( -3.949 3.773 -8.948) 10.483 12.299 ( 5.522 -2.653 -10.362) 12.038 13.298 ( -1.591 0.582 7.870) 8.050 13.324 ( -1.446 -0.495 8.392) 8.530 14.284 ( 3.851 1.592 -9.447) 10.325 14.357 ( 2.589 -1.407 -10.790) 11.185 17.282 ( -3.227 2.633 -3.159) 5.227 17.545 ( -5.779 -11.339 6.170) 14.143 18.027 ( -3.962 10.384 8.518) 14.003 18.166 ( -2.266 2.117 13.648) 13.996 18.388 ( 0.511 -0.137 -8.186) 8.203 18.488 ( -2.525 -4.826 0.811) 5.506 18.670 ( -5.884 5.368 3.786) 8.819 18.921 ( -4.711 -4.900 -3.328) 7.568 19.099 ( -1.859 -0.595 -0.551) 2.028 19.131 ( -2.632 -1.353 -2.354) 3.781 19.647 ( -6.829 3.598 -3.300) 8.394 19.763 ( -5.855 -1.295 -13.620) 14.881 ======================= Grid point 147 (54/105) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 3.452 8.203 8.206) 12.106 1.882 ( 11.550 4.657 8.095) 14.853 2.027 ( 8.473 0.205 5.899) 10.326 2.281 ( 7.744 -12.365 2.645) 14.828 2.579 ( -0.216 -1.045 10.924) 10.976 2.692 ( 2.524 2.379 7.127) 7.926 2.727 ( 2.596 4.172 -4.260) 6.503 2.922 ( 0.118 -6.844 -6.749) 9.613 3.108 ( -2.649 -0.837 -3.165) 4.211 3.178 ( -3.014 -2.469 -2.967) 4.897 3.295 ( 6.883 3.373 6.099) 9.796 3.443 ( 1.103 5.650 -0.235) 5.762 3.533 ( 0.969 -7.043 3.750) 8.038 3.675 ( 2.444 -4.206 0.507) 4.891 3.857 ( 0.894 7.267 0.684) 7.354 4.117 ( 4.483 -2.651 1.655) 5.465 4.303 ( -4.242 7.178 10.863) 13.693 4.552 ( -9.591 3.567 -1.167) 10.300 4.614 ( -12.444 -3.379 6.335) 14.367 4.767 ( -6.726 -2.918 0.895) 7.386 4.925 ( 12.658 -0.940 -2.679) 12.973 4.947 ( 10.145 -1.557 -0.454) 10.274 5.058 ( 12.085 3.893 -3.188) 13.090 5.171 ( 14.045 -1.017 -11.772) 18.354 6.250 ( -1.244 13.125 23.374) 26.836 7.025 ( 1.286 -20.158 15.851) 25.676 7.294 ( -2.177 1.616 -1.236) 2.980 7.383 ( -3.854 -2.138 5.624) 7.145 7.955 ( -0.901 3.340 -5.550) 6.540 8.180 ( -3.058 -7.461 -8.000) 11.359 8.299 ( 0.398 9.105 2.644) 9.489 8.512 ( -1.840 1.786 0.489) 2.611 9.376 ( -1.451 1.692 4.329) 4.869 9.523 ( 0.346 -4.013 1.238) 4.214 9.762 ( 5.026 -0.958 -1.751) 5.407 9.833 ( 3.739 -3.054 -6.420) 8.033 9.915 ( -0.256 3.943 -2.707) 4.790 10.016 ( -4.691 -1.156 -3.919) 6.221 10.311 ( -1.034 4.238 0.244) 4.369 10.427 ( -1.959 -1.482 0.144) 2.461 11.370 ( 9.857 5.520 -1.632) 11.414 11.710 ( 4.645 -10.217 -1.141) 11.281 12.115 ( 1.449 9.607 -5.364) 11.098 12.407 ( 4.495 -4.377 -8.184) 10.312 13.267 ( -1.244 0.597 8.747) 8.855 13.295 ( -1.269 -0.530 8.945) 9.050 14.351 ( 2.577 1.049 -9.663) 10.055 14.398 ( 1.405 -0.873 -10.458) 10.588 17.226 ( -2.172 1.811 -3.742) 4.690 17.427 ( -5.201 -9.022 9.686) 14.222 17.954 ( -3.010 11.745 5.311) 13.236 18.125 ( -1.626 1.972 12.051) 12.319 18.391 ( -0.273 -1.192 -7.522) 7.621 18.434 ( -2.734 -3.345 -0.166) 4.324 18.591 ( -1.911 3.357 3.350) 5.113 18.835 ( -3.412 -6.518 -1.749) 7.562 19.065 ( -1.404 -1.084 -1.734) 2.481 19.083 ( -1.965 -1.742 -2.063) 3.339 19.512 ( -5.783 5.271 -4.276) 8.917 19.653 ( -4.579 -1.385 -16.130) 16.825 ======================= Grid point 148 (55/105) ======================= q-point: ( 0.42 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.111 9.133 5.659) 10.801 2.091 ( 8.153 4.780 4.989) 10.687 2.178 ( 5.182 -2.151 -0.313) 5.619 2.433 ( 6.458 -8.358 -0.004) 10.562 2.558 ( -1.011 -0.583 7.633) 7.722 2.717 ( 0.818 -1.181 6.097) 6.264 2.809 ( 4.128 1.725 -7.001) 8.309 2.924 ( 0.396 -7.465 -5.610) 9.346 3.011 ( -5.676 -2.458 -7.506) 9.726 3.089 ( -5.091 -4.581 1.373) 6.984 3.398 ( -2.691 6.409 2.479) 7.380 3.463 ( 7.770 4.077 2.303) 9.071 3.632 ( 5.868 1.612 5.549) 8.235 3.726 ( 2.934 -3.984 1.596) 5.199 3.870 ( 0.540 7.504 3.720) 8.393 4.128 ( -6.695 2.114 7.037) 9.940 4.155 ( -6.491 -0.772 5.512) 8.550 4.362 ( -7.473 -4.834 4.101) 9.800 4.410 ( -4.102 3.690 -4.224) 6.948 4.613 ( -6.262 -2.852 0.247) 6.885 5.147 ( 7.564 -0.711 -1.501) 7.744 5.176 ( 8.653 -2.290 -2.501) 9.294 5.295 ( 9.110 4.673 -4.823) 11.318 5.415 ( 8.493 0.150 -11.133) 14.003 6.246 ( 0.543 12.884 21.104) 24.732 7.050 ( 0.911 -21.193 12.693) 24.720 7.252 ( -1.578 0.680 -2.441) 2.985 7.322 ( -1.902 -2.849 7.265) 8.032 7.930 ( -1.194 3.325 -6.672) 7.550 8.122 ( -2.282 -5.655 -7.332) 9.537 8.312 ( 0.764 10.291 4.870) 11.410 8.478 ( -1.305 2.621 0.753) 3.023 9.357 ( -0.382 1.642 5.953) 6.187 9.528 ( 0.201 -5.968 2.987) 6.677 9.842 ( 2.321 0.363 -0.852) 2.499 9.893 ( 1.388 0.232 -7.883) 8.007 9.906 ( -0.503 -0.476 4.911) 4.960 9.936 ( -2.027 -0.652 -11.715) 11.907 10.280 ( -1.588 4.752 3.912) 6.356 10.398 ( -0.807 -1.103 0.443) 1.437 11.546 ( 7.137 2.010 2.023) 7.686 11.736 ( -1.413 -6.982 1.906) 7.375 12.186 ( 4.044 8.933 -4.244) 10.685 12.476 ( 2.077 -4.381 -6.524) 8.129 13.248 ( -0.589 0.563 9.445) 9.480 13.273 ( -0.772 -0.464 9.200) 9.244 14.391 ( 1.258 0.621 -9.514) 9.617 14.418 ( 0.567 -0.494 -10.126) 10.154 17.193 ( -1.042 1.120 -4.155) 4.427 17.341 ( -2.958 -6.846 10.604) 12.964 17.904 ( -1.805 11.952 3.708) 12.644 18.099 ( -0.811 1.896 10.585) 10.784 18.376 ( -1.237 -2.832 -1.438) 3.408 18.390 ( -1.043 -2.200 -5.288) 5.822 18.574 ( -0.185 1.983 2.295) 3.039 18.782 ( -1.690 -7.173 -0.628) 7.396 19.041 ( -0.943 -2.019 -2.788) 3.570 19.051 ( -1.108 -1.391 -0.858) 1.974 19.418 ( -3.110 6.810 -5.659) 9.385 19.579 ( -2.401 -1.504 -17.689) 17.915 ======================= Grid point 149 (56/105) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 9.097 4.932) 10.348 2.195 ( 0.000 7.617 3.002) 8.187 2.219 ( -0.000 -7.884 -1.166) 7.970 2.506 ( 0.000 -4.825 -3.219) 5.800 2.558 ( 0.000 1.998 6.106) 6.425 2.728 ( 0.000 -2.042 6.256) 6.581 2.863 ( -0.000 -2.906 -5.713) 6.409 2.928 ( 0.000 -4.914 -11.034) 12.079 2.951 ( 0.000 -0.464 -8.487) 8.500 3.003 ( -0.000 -9.296 6.166) 11.155 3.367 ( 0.000 7.286 4.210) 8.415 3.557 ( 0.000 1.548 0.110) 1.552 3.719 ( 0.000 12.299 7.077) 14.189 3.773 ( 0.000 -3.913 3.507) 5.255 3.895 ( -0.000 -0.200 3.871) 3.876 3.975 ( 0.000 4.051 4.415) 5.991 4.069 ( 0.000 0.395 7.044) 7.055 4.288 ( 0.000 -7.255 2.736) 7.753 4.391 ( 0.000 3.128 -4.576) 5.543 4.540 ( 0.000 -2.190 0.535) 2.254 5.227 ( 0.000 -0.611 -1.971) 2.064 5.267 ( 0.000 -2.835 -3.077) 4.184 5.395 ( 0.000 4.522 -4.847) 6.629 5.505 ( 0.000 1.089 -10.948) 11.002 6.255 ( 0.000 12.626 20.109) 23.744 7.059 ( 0.000 -20.577 11.183) 23.419 7.236 ( 0.000 0.434 -2.954) 2.985 7.302 ( 0.000 -4.273 8.391) 9.416 7.916 ( 0.000 3.453 -7.229) 8.012 8.096 ( 0.000 -4.876 -7.230) 8.721 8.322 ( 0.000 10.781 5.984) 12.330 8.463 ( 0.000 2.809 0.438) 2.843 9.355 ( 0.000 1.535 6.601) 6.777 9.531 ( 0.000 -6.675 3.734) 7.648 9.864 ( -0.000 1.621 -5.990) 6.205 9.874 ( 0.000 -0.026 8.702) 8.702 9.918 ( 0.000 -1.329 -5.055) 5.227 9.931 ( 0.000 -0.734 -13.607) 13.626 10.261 ( 0.000 5.098 5.182) 7.270 10.390 ( 0.000 -1.047 0.750) 1.288 11.654 ( 0.000 -0.885 4.629) 4.713 11.686 ( -0.000 -3.057 1.969) 3.636 12.235 ( 0.000 7.364 -3.931) 8.348 12.496 ( 0.000 -4.064 -5.844) 7.118 13.242 ( 0.000 0.526 9.727) 9.742 13.265 ( 0.000 -0.392 9.237) 9.245 14.404 ( 0.000 0.456 -9.398) 9.410 14.423 ( 0.000 -0.348 -10.029) 10.035 17.182 ( 0.000 0.843 -4.301) 4.383 17.309 ( 0.000 -6.049 10.657) 12.254 17.884 ( 0.000 11.984 3.387) 12.454 18.091 ( 0.000 1.891 10.033) 10.210 18.360 ( 0.000 -2.872 1.193) 3.110 18.381 ( 0.000 -2.683 -7.669) 8.125 18.573 ( 0.000 1.625 2.020) 2.593 18.765 ( 0.000 -7.268 -0.245) 7.272 19.030 ( 0.000 -2.620 -2.993) 3.978 19.039 ( 0.000 -0.929 -0.372) 1.001 19.386 ( 0.000 7.379 -6.368) 9.747 19.554 ( 0.000 -1.550 -18.216) 18.282 ======================= Grid point 156 (57/105) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 1.195 ( 0.000 -2.998 23.179) 23.372 1.195 ( 0.000 2.998 23.179) 23.372 1.383 ( 0.000 -0.652 14.410) 14.424 1.383 ( 0.000 0.652 14.410) 14.424 2.469 ( 0.000 -10.996 17.213) 20.426 2.469 ( 0.000 10.996 17.213) 20.426 2.795 ( 0.000 -8.140 4.045) 9.089 2.795 ( 0.000 8.140 4.045) 9.089 2.851 ( 0.000 -14.712 20.037) 24.858 2.851 ( 0.000 14.712 20.037) 24.858 3.064 ( 0.000 -0.897 -4.007) 4.107 3.064 ( 0.000 0.897 -4.007) 4.107 3.311 ( 0.000 -2.714 -10.364) 10.714 3.311 ( 0.000 2.714 -10.364) 10.714 3.485 ( 0.000 -0.554 -5.293) 5.322 3.485 ( 0.000 0.554 -5.293) 5.322 4.144 ( 0.000 -5.936 -15.059) 16.187 4.144 ( 0.000 5.936 -15.059) 16.187 4.309 ( 0.000 -11.834 9.377) 15.099 4.309 ( 0.000 11.834 9.377) 15.099 5.236 ( 0.000 -6.311 11.849) 13.425 5.236 ( 0.000 6.311 11.849) 13.425 5.417 ( 0.000 -4.943 2.311) 5.457 5.417 ( 0.000 4.943 2.311) 5.457 6.893 ( 0.000 -16.836 23.026) 28.525 6.893 ( 0.000 16.836 23.026) 28.525 7.507 ( 0.000 -2.936 1.388) 3.248 7.507 ( 0.000 2.936 1.388) 3.248 7.929 ( 0.000 -5.846 -8.999) 10.731 7.929 ( 0.000 5.846 -8.999) 10.731 8.257 ( 0.000 -11.471 1.575) 11.578 8.257 ( 0.000 11.471 1.575) 11.578 9.400 ( 0.000 -1.399 0.336) 1.438 9.400 ( 0.000 1.399 0.336) 1.438 9.578 ( 0.000 -1.722 2.029) 2.661 9.578 ( 0.000 1.722 2.029) 2.661 10.113 ( 0.000 -11.101 -8.922) 14.242 10.113 ( 0.000 11.101 -8.922) 14.242 10.335 ( 0.000 -2.691 -7.604) 8.066 10.335 ( 0.000 2.691 -7.604) 8.066 10.984 ( 0.000 -9.922 -0.944) 9.967 10.984 ( 0.000 9.922 -0.944) 9.967 12.279 ( 0.000 -9.595 -22.809) 24.746 12.279 ( 0.000 9.595 -22.809) 24.746 13.373 ( 0.000 -0.012 6.529) 6.529 13.373 ( 0.000 0.012 6.529) 6.529 14.124 ( 0.000 -1.851 -6.557) 6.814 14.124 ( 0.000 1.851 -6.557) 6.814 17.573 ( 0.000 -7.723 -1.392) 7.848 17.573 ( 0.000 7.723 -1.392) 7.848 18.228 ( 0.000 -0.680 8.148) 8.176 18.228 ( 0.000 0.680 8.148) 8.176 18.458 ( 0.000 -7.606 2.508) 8.009 18.458 ( 0.000 7.606 2.508) 8.009 19.136 ( 0.000 -2.165 -1.757) 2.788 19.136 ( 0.000 2.165 -1.757) 2.788 19.289 ( 0.000 -0.544 -8.344) 8.362 19.289 ( 0.000 0.544 -8.344) 8.362 19.969 ( 0.000 -3.499 -1.350) 3.751 19.969 ( 0.000 3.499 -1.350) 3.751 ======================= Grid point 158 (58/105) ======================= q-point: ( 0.08 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 6.914 -4.897 21.525) 23.132 1.271 ( 6.914 4.897 21.525) 23.132 1.483 ( 8.632 -8.523 13.867) 18.424 1.483 ( 8.632 8.523 13.867) 18.424 2.524 ( 4.620 -10.072 15.517) 19.068 2.524 ( 4.620 10.072 15.517) 19.068 2.787 ( -0.070 -11.902 6.583) 13.601 2.787 ( -0.070 11.902 6.583) 13.601 2.893 ( 3.653 -16.207 10.486) 19.646 2.893 ( 3.653 16.207 10.486) 19.646 3.145 ( 5.888 -2.875 1.608) 6.747 3.145 ( 5.888 2.875 1.608) 6.747 3.359 ( 4.631 -2.581 -9.273) 10.681 3.359 ( 4.631 2.581 -9.273) 10.681 3.519 ( 3.942 -2.209 -5.998) 7.510 3.519 ( 3.942 2.209 -5.998) 7.510 4.170 ( 2.635 -6.454 -13.140) 14.875 4.170 ( 2.635 6.454 -13.140) 14.875 4.343 ( 3.619 -10.356 7.716) 13.412 4.343 ( 3.619 10.356 7.716) 13.412 5.172 ( -5.762 -7.308 11.459) 14.762 5.172 ( -5.762 7.308 11.459) 14.762 5.366 ( -4.992 -4.883 2.203) 7.322 5.366 ( -4.992 4.883 2.203) 7.322 6.826 ( -5.316 -16.046 23.662) 29.080 6.826 ( -5.316 16.046 23.662) 29.080 7.495 ( -1.126 -3.360 2.104) 4.121 7.495 ( -1.126 3.360 2.104) 4.121 7.996 ( 4.267 -7.955 -9.877) 13.381 7.996 ( 4.267 7.955 -9.877) 13.381 8.314 ( 5.092 -10.927 0.301) 12.059 8.314 ( 5.092 10.927 0.301) 12.059 9.418 ( 1.851 -2.435 -0.652) 3.127 9.418 ( 1.851 2.435 -0.652) 3.127 9.563 ( -1.060 -1.967 2.087) 3.058 9.563 ( -1.060 1.967 2.087) 3.058 10.100 ( -1.043 -10.214 -8.413) 13.274 10.100 ( -1.043 10.214 -8.413) 13.274 10.360 ( 1.916 -3.906 -6.701) 7.989 10.360 ( 1.916 3.906 -6.701) 7.989 11.035 ( 4.820 -10.746 -1.940) 11.937 11.035 ( 4.820 10.746 -1.940) 11.937 12.256 ( -1.841 -7.428 -20.131) 21.536 12.256 ( -1.841 7.428 -20.131) 21.536 13.365 ( -0.784 -0.357 6.764) 6.819 13.365 ( -0.784 0.357 6.764) 6.819 14.162 ( 3.303 -2.452 -7.711) 8.740 14.162 ( 3.303 2.452 -7.711) 8.740 17.541 ( -2.894 -7.986 -0.749) 8.527 17.541 ( -2.894 7.986 -0.749) 8.527 18.225 ( -0.388 -1.856 9.451) 9.640 18.225 ( -0.388 1.856 9.451) 9.640 18.448 ( -0.915 -6.873 0.949) 6.998 18.448 ( -0.915 6.873 0.949) 6.998 19.089 ( -4.794 -1.277 -3.586) 6.121 19.089 ( -4.794 1.277 -3.586) 6.121 19.237 ( -3.931 -1.191 -3.581) 5.449 19.237 ( -3.931 1.191 -3.581) 5.449 19.934 ( -3.299 -3.257 -3.145) 5.602 19.934 ( -3.299 3.257 -3.145) 5.602 ======================= Grid point 160 (59/105) ======================= q-point: ( 0.17 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 10.931 -4.727 17.994) 21.578 1.462 ( 10.931 4.727 17.994) 21.578 1.687 ( 10.014 -9.883 12.216) 18.632 1.687 ( 10.014 9.883 12.216) 18.632 2.617 ( 3.362 -6.475 11.538) 13.651 2.617 ( 3.362 6.475 11.538) 13.651 2.793 ( 0.373 -8.304 2.560) 8.698 2.793 ( 0.373 8.304 2.560) 8.698 3.005 ( 7.015 -11.226 4.123) 13.865 3.005 ( 7.015 11.226 4.123) 13.865 3.230 ( 1.864 -4.176 6.078) 7.606 3.230 ( 1.864 4.176 6.078) 7.606 3.469 ( 4.876 -2.651 -5.687) 7.946 3.469 ( 4.876 2.651 -5.687) 7.946 3.682 ( 11.088 -1.712 -6.491) 12.962 3.682 ( 11.088 1.712 -6.491) 12.962 4.265 ( 7.084 -5.703 -4.744) 10.257 4.265 ( 7.084 5.703 -4.744) 10.257 4.476 ( 9.385 -5.174 1.575) 10.831 4.476 ( 9.385 5.174 1.575) 10.831 5.020 ( -8.237 -8.034 9.284) 14.785 5.020 ( -8.237 8.034 9.284) 14.785 5.212 ( -9.599 -4.476 1.602) 10.712 5.212 ( -9.599 4.476 1.602) 10.712 6.715 ( -4.869 -17.180 23.650) 29.634 6.715 ( -4.869 17.180 23.650) 29.634 7.460 ( -2.220 -3.831 2.960) 5.326 7.460 ( -2.220 3.831 2.960) 5.326 8.055 ( 1.502 -8.554 -8.768) 12.341 8.055 ( 1.502 8.554 -8.768) 12.341 8.420 ( 3.822 -10.081 -0.969) 10.825 8.420 ( 3.822 10.081 -0.969) 10.825 9.466 ( 1.544 -3.078 -2.644) 4.342 9.466 ( 1.544 3.078 -2.644) 4.342 9.561 ( 2.134 -2.072 1.434) 3.302 9.561 ( 2.134 2.072 1.434) 3.302 10.074 ( -1.472 -8.493 -6.886) 11.032 10.074 ( -1.472 8.493 -6.886) 11.032 10.395 ( 1.092 -5.081 -4.514) 6.883 10.395 ( 1.092 5.081 -4.514) 6.883 11.176 ( 8.391 -11.855 -3.624) 14.970 11.176 ( 8.391 11.855 -3.624) 14.970 12.222 ( -0.959 -1.933 -14.690) 14.847 12.222 ( -0.959 1.933 -14.690) 14.847 13.342 ( -1.348 -0.618 7.363) 7.511 13.342 ( -1.348 0.618 7.363) 7.511 14.243 ( 4.136 -2.683 -9.460) 10.667 14.243 ( 4.136 2.683 -9.460) 10.667 17.463 ( -4.382 -7.871 0.627) 9.030 17.463 ( -4.382 7.871 0.627) 9.030 18.206 ( -1.510 -2.958 12.129) 12.575 18.206 ( -1.510 2.958 12.129) 12.575 18.427 ( -0.953 -4.910 -2.954) 5.809 18.427 ( -0.953 4.910 -2.954) 5.809 18.948 ( -7.832 -4.982 -2.902) 9.726 18.948 ( -7.832 4.982 -2.902) 9.726 19.162 ( -3.105 -1.715 0.024) 3.547 19.162 ( -3.105 1.715 0.024) 3.547 19.840 ( -5.453 -3.081 -6.336) 8.909 19.840 ( -5.453 3.081 -6.336) 8.909 ======================= Grid point 162 (60/105) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 11.565 -1.908 14.075) 18.316 1.702 ( 11.565 1.908 14.075) 18.316 1.881 ( 8.718 -8.914 8.674) 15.188 1.881 ( 8.718 8.914 8.674) 15.188 2.649 ( -0.142 -4.613 10.575) 11.539 2.649 ( -0.142 4.613 10.575) 11.539 2.801 ( 0.608 -5.953 -5.195) 7.924 2.801 ( 0.608 5.953 -5.195) 7.924 3.145 ( 3.929 -5.054 -1.041) 6.485 3.145 ( 3.929 5.054 -1.041) 6.485 3.256 ( 2.953 -5.084 8.636) 10.448 3.256 ( 2.953 5.084 8.636) 10.448 3.544 ( 2.214 -3.037 -2.408) 4.464 3.544 ( 2.214 3.037 -2.408) 4.464 3.894 ( 7.896 -3.873 -4.640) 9.944 3.894 ( 7.896 3.873 -4.640) 9.944 4.470 ( 10.450 -7.159 5.422) 13.778 4.470 ( 10.450 7.159 5.422) 13.778 4.692 ( 7.888 -2.779 1.463) 8.491 4.692 ( 7.888 2.779 1.463) 8.491 4.880 ( -2.742 -5.771 -2.483) 6.855 4.880 ( -2.742 5.771 -2.483) 6.855 4.996 ( -8.509 -2.835 1.215) 9.051 4.996 ( -8.509 2.835 1.215) 9.051 6.634 ( -2.818 -19.860 22.212) 29.928 6.634 ( -2.818 19.860 22.212) 29.928 7.403 ( -3.157 -3.480 2.671) 5.405 7.403 ( -3.157 3.480 2.671) 5.405 8.066 ( -0.345 -7.337 -7.415) 10.438 8.066 ( -0.345 7.337 -7.415) 10.438 8.461 ( 0.593 -8.272 0.866) 8.338 8.461 ( 0.593 8.272 0.866) 8.338 9.461 ( -1.184 -3.268 0.477) 3.508 9.461 ( -1.184 3.268 0.477) 3.508 9.659 ( 5.950 -2.855 -3.763) 7.597 9.659 ( 5.950 2.855 -3.763) 7.597 10.037 ( -2.193 -5.902 -4.906) 7.982 10.037 ( -2.193 5.902 -4.906) 7.982 10.401 ( -0.430 -4.444 -1.860) 4.836 10.401 ( -0.430 4.444 -1.860) 4.836 11.360 ( 8.688 -11.623 -3.293) 14.880 11.360 ( 8.688 11.623 -3.293) 14.880 12.229 ( 1.701 -4.363 -10.030) 11.069 12.229 ( 1.701 4.363 -10.030) 11.069 13.311 ( -1.530 -0.759 8.131) 8.309 13.311 ( -1.530 0.759 8.131) 8.309 14.321 ( 3.238 -2.118 -10.162) 10.874 14.321 ( 3.238 2.118 -10.162) 10.874 17.370 ( -4.321 -6.745 1.749) 8.199 17.370 ( -4.321 6.745 1.749) 8.199 18.165 ( -2.226 -3.517 12.686) 13.351 18.165 ( -2.226 3.517 12.686) 13.351 18.409 ( -0.907 -2.823 -6.084) 6.768 18.409 ( -0.907 2.823 -6.084) 6.768 18.795 ( -6.482 -7.288 0.204) 9.756 18.795 ( -6.482 7.288 0.204) 9.756 19.105 ( -2.411 -1.070 -0.432) 2.673 19.105 ( -2.411 1.070 -0.432) 2.673 19.719 ( -5.987 -3.320 -9.022) 11.325 19.719 ( -5.987 3.320 -9.022) 11.325 ======================= Grid point 164 (61/105) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 7.053 -6.236 10.021) 13.750 1.906 ( 7.053 6.236 10.021) 13.750 2.068 ( 9.826 -7.916 3.874) 13.199 2.068 ( 9.826 7.916 3.874) 13.199 2.629 ( -1.198 -5.653 10.653) 12.119 2.629 ( -1.198 5.653 10.653) 12.119 2.818 ( 0.815 -4.064 -9.960) 10.788 2.818 ( 0.815 4.064 -9.960) 10.788 3.124 ( -3.817 -2.330 -0.943) 4.570 3.124 ( -3.817 2.330 -0.943) 4.570 3.392 ( 7.813 -6.413 5.277) 11.402 3.392 ( 7.813 6.413 5.277) 11.402 3.569 ( 0.818 -6.494 -0.007) 6.546 3.569 ( 0.818 6.494 -0.007) 6.546 4.009 ( 3.650 -7.529 -0.166) 8.369 4.009 ( 3.650 7.529 -0.166) 8.369 4.466 ( -9.574 -8.167 11.317) 16.924 4.466 ( -9.574 8.167 11.317) 16.924 4.683 ( -9.171 -5.680 -2.899) 11.170 4.683 ( -9.171 5.680 -2.899) 11.170 4.921 ( 12.042 -0.724 -0.849) 12.094 4.921 ( 12.042 0.724 -0.849) 12.094 5.130 ( 13.589 -3.176 -7.623) 15.902 5.130 ( 13.589 3.176 -7.623) 15.902 6.599 ( -0.600 -21.916 20.035) 29.700 6.599 ( -0.600 21.916 20.035) 29.700 7.335 ( -3.235 -2.571 1.739) 4.483 7.335 ( -3.235 2.571 1.739) 4.483 8.045 ( -1.481 -6.032 -6.506) 8.994 8.045 ( -1.481 6.032 -6.506) 8.994 8.464 ( 0.019 -6.494 2.536) 6.971 8.464 ( 0.019 6.494 2.536) 6.971 9.435 ( -1.168 -4.340 2.496) 5.141 9.435 ( -1.168 4.340 2.496) 5.141 9.777 ( 5.117 -2.221 -5.452) 7.800 9.777 ( 5.117 2.221 -5.452) 7.800 9.983 ( -2.941 -2.755 -3.828) 5.558 9.983 ( -2.941 2.755 -3.828) 5.558 10.383 ( -1.154 -3.092 0.826) 3.402 10.383 ( -1.154 3.092 0.826) 3.402 11.518 ( 6.231 -9.370 -0.489) 11.264 11.518 ( 6.231 9.370 -0.489) 11.264 12.287 ( 3.486 -7.866 -7.226) 11.235 12.287 ( 3.486 7.866 -7.226) 11.235 13.282 ( -1.255 -0.797 8.848) 8.973 13.282 ( -1.255 0.797 8.848) 8.973 14.376 ( 1.976 -1.353 -10.068) 10.349 14.376 ( 1.976 1.353 -10.068) 10.349 17.290 ( -3.295 -5.115 2.209) 6.473 17.290 ( -3.295 5.115 2.209) 6.473 18.122 ( -1.845 -4.208 11.066) 11.982 18.122 ( -1.845 4.208 11.066) 11.982 18.382 ( -1.717 -1.321 -7.041) 7.367 18.382 ( -1.717 1.321 -7.041) 7.367 18.689 ( -3.581 -7.068 2.505) 8.310 18.689 ( -3.581 7.068 2.505) 8.310 19.061 ( -1.793 -0.631 -1.147) 2.220 19.061 ( -1.793 0.631 -1.147) 2.220 19.604 ( -4.808 -3.786 -11.172) 12.739 19.604 ( -4.808 3.786 -11.172) 12.739 ======================= Grid point 166 (62/105) ======================= q-point: ( 0.42 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 1.999 -11.242 5.302) 12.589 1.994 ( 1.999 11.242 5.302) 12.589 2.273 ( 8.656 -8.520 1.649) 12.257 2.273 ( 8.656 8.520 1.649) 12.257 2.620 ( 0.584 -6.891 9.205) 11.513 2.620 ( 0.584 6.891 9.205) 11.513 2.828 ( 0.069 -1.728 -10.781) 10.919 2.828 ( 0.069 1.728 -10.781) 10.919 3.024 ( -5.223 -2.635 -2.313) 6.290 3.024 ( -5.223 2.635 -2.313) 6.290 3.500 ( 1.452 -3.356 2.940) 4.692 3.500 ( 1.452 3.356 2.940) 4.692 3.642 ( 7.318 -3.967 2.918) 8.821 3.642 ( 7.318 3.967 2.918) 8.821 4.056 ( 0.770 -8.321 3.157) 8.933 4.056 ( 0.770 8.321 3.157) 8.933 4.224 ( -11.776 -6.112 7.611) 15.296 4.224 ( -11.776 6.112 7.611) 15.296 4.527 ( -5.084 -5.961 -2.808) 8.323 4.527 ( -5.084 5.961 -2.808) 8.323 5.146 ( 7.894 -0.723 -2.036) 8.184 5.146 ( 7.894 0.723 -2.036) 8.184 5.380 ( 9.183 -3.616 -7.937) 12.665 5.380 ( 9.183 3.616 -7.937) 12.665 6.601 ( 0.558 -22.781 18.127) 29.118 6.601 ( 0.558 22.781 18.127) 29.118 7.277 ( -2.141 -1.848 1.050) 3.017 7.277 ( -2.141 1.848 1.050) 3.017 8.014 ( -1.332 -5.207 -6.222) 8.222 8.014 ( -1.332 5.207 -6.222) 8.222 8.466 ( 0.143 -4.583 3.301) 5.650 8.466 ( 0.143 4.583 3.301) 5.650 9.417 ( -0.497 -4.720 3.742) 6.044 9.417 ( -0.497 4.720 3.742) 6.044 9.860 ( 2.468 -1.530 -2.238) 3.666 9.860 ( 2.468 1.530 -2.238) 3.666 9.926 ( -1.940 -0.807 -6.770) 7.089 9.926 ( -1.940 0.807 -6.770) 7.089 10.359 ( -0.934 -3.086 2.920) 4.350 10.359 ( -0.934 3.086 2.920) 4.350 11.615 ( 3.121 -5.156 2.562) 6.549 11.615 ( 3.121 5.156 2.562) 6.549 12.355 ( 2.651 -7.942 -5.736) 10.149 12.355 ( 2.651 7.942 -5.736) 10.149 13.261 ( -0.666 -0.730 9.316) 9.368 13.261 ( -0.666 0.730 9.316) 9.368 14.405 ( 0.902 -0.785 -9.807) 9.879 14.405 ( 0.902 0.785 -9.807) 9.879 17.237 ( -1.768 -3.735 2.229) 4.695 17.237 ( -1.768 3.735 2.229) 4.695 18.091 ( -1.012 -5.126 9.472) 10.818 18.091 ( -1.012 5.126 9.472) 10.818 18.344 ( -1.654 -0.979 -6.382) 6.665 18.344 ( -1.654 0.979 -6.382) 6.665 18.642 ( -1.171 -5.664 3.132) 6.578 18.642 ( -1.171 5.664 3.132) 6.578 19.031 ( -1.043 -0.658 -1.384) 1.854 19.031 ( -1.043 0.658 -1.384) 1.854 19.526 ( -2.543 -4.175 -12.755) 13.660 19.526 ( -2.543 4.175 -12.755) 13.660 ======================= Grid point 168 (63/105) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 -12.363 3.540) 12.860 2.011 ( 0.000 12.363 3.540) 12.860 2.373 ( 0.000 -9.181 2.185) 9.438 2.373 ( -0.000 9.181 2.185) 9.438 2.639 ( 0.000 -6.787 5.627) 8.816 2.639 ( 0.000 6.787 5.627) 8.817 2.823 ( 0.000 -3.655 -8.036) 8.828 2.823 ( 0.000 3.655 -8.036) 8.828 2.956 ( 0.000 -0.128 -4.305) 4.307 2.956 ( 0.000 0.128 -4.305) 4.307 3.506 ( 0.000 -6.270 2.778) 6.858 3.506 ( 0.000 6.270 2.778) 6.858 3.770 ( -0.000 -2.456 3.149) 3.994 3.770 ( -0.000 2.456 3.149) 3.994 4.015 ( 0.000 -2.773 6.542) 7.106 4.015 ( 0.000 2.773 6.542) 7.106 4.101 ( 0.000 -8.120 4.404) 9.238 4.101 ( 0.000 8.120 4.404) 9.238 4.474 ( 0.000 -4.422 -2.876) 5.275 4.474 ( 0.000 4.422 -2.876) 5.275 5.229 ( 0.000 -0.947 -2.670) 2.833 5.229 ( 0.000 0.947 -2.670) 2.833 5.479 ( 0.000 -3.478 -7.891) 8.624 5.479 ( 0.000 3.478 -7.891) 8.624 6.609 ( 0.000 -22.935 17.380) 28.776 6.609 ( 0.000 22.935 17.380) 28.776 7.254 ( 0.000 -1.502 0.845) 1.723 7.254 ( 0.000 1.502 0.845) 1.723 7.999 ( 0.000 -4.926 -6.239) 7.949 7.999 ( 0.000 4.926 -6.239) 7.949 8.468 ( 0.000 -3.413 3.514) 4.898 8.468 ( 0.000 3.413 3.514) 4.898 9.413 ( 0.000 -4.779 4.197) 6.361 9.413 ( 0.000 4.779 4.197) 6.361 9.875 ( 0.000 -0.162 4.482) 4.485 9.875 ( 0.000 0.162 4.482) 4.485 9.915 ( 0.000 -0.761 -13.338) 13.360 9.915 ( 0.000 0.761 -13.338) 13.360 10.349 ( 0.000 -3.453 3.726) 5.080 10.349 ( 0.000 3.453 3.726) 5.080 11.647 ( 0.000 -0.641 3.800) 3.854 11.647 ( 0.000 0.641 3.800) 3.854 12.384 ( 0.000 -7.290 -5.223) 8.967 12.384 ( 0.000 7.290 -5.223) 8.967 13.254 ( 0.000 -0.651 9.466) 9.488 13.254 ( 0.000 0.651 9.466) 9.488 14.414 ( 0.000 -0.566 -9.695) 9.712 14.414 ( 0.000 0.566 -9.695) 9.712 17.218 ( 0.000 -3.197 2.181) 3.870 17.218 ( 0.000 3.197 2.181) 3.870 18.081 ( 0.000 -5.623 8.885) 10.515 18.081 ( 0.000 5.623 8.885) 10.515 18.325 ( 0.000 -0.930 -5.874) 5.947 18.325 ( 0.000 0.930 -5.874) 5.947 18.631 ( 0.000 -5.019 3.117) 5.908 18.631 ( 0.000 5.019 3.117) 5.908 19.020 ( 0.000 -0.758 -1.390) 1.583 19.020 ( 0.000 0.758 -1.390) 1.583 19.500 ( 0.000 -4.311 -13.363) 14.041 19.500 ( 0.000 4.311 -13.363) 14.041 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 1.425 ( 0.000 0.000 27.771) 27.771 1.552 ( 0.000 0.000 22.774) 22.774 2.178 ( 0.000 0.000 6.274) 6.274 2.186 ( 0.000 0.000 15.466) 15.466 2.334 ( 0.000 0.000 16.716) 16.716 2.433 ( 0.000 0.000 12.752) 12.752 2.766 ( 0.000 0.000 0.456) 0.456 2.874 ( 0.000 0.000 -3.855) 3.855 2.885 ( 0.000 0.000 -11.516) 11.516 2.898 ( 0.000 0.000 -19.745) 19.745 2.982 ( 0.000 0.000 11.423) 11.423 3.014 ( 0.000 0.000 -4.635) 4.635 3.276 ( 0.000 0.000 22.945) 22.945 3.391 ( 0.000 0.000 -3.744) 3.744 3.523 ( 0.000 0.000 -5.717) 5.717 3.877 ( 0.000 0.000 -13.244) 13.244 3.880 ( 0.000 0.000 -17.096) 17.096 4.049 ( 0.000 0.000 23.488) 23.488 4.222 ( 0.000 0.000 20.513) 20.513 4.669 ( 0.000 0.000 9.089) 9.089 5.157 ( 0.000 0.000 -7.735) 7.735 5.187 ( 0.000 0.000 5.080) 5.080 5.485 ( 0.000 0.000 1.182) 1.182 5.604 ( 0.000 0.000 -1.242) 1.242 7.041 ( 0.000 0.000 26.835) 26.835 7.430 ( 0.000 0.000 2.420) 2.420 7.488 ( 0.000 0.000 1.757) 1.757 7.645 ( 0.000 0.000 -6.294) 6.294 7.794 ( 0.000 0.000 20.809) 20.809 7.920 ( 0.000 0.000 -9.692) 9.692 7.932 ( 0.000 0.000 -4.157) 4.157 8.659 ( 0.000 0.000 2.937) 2.937 9.464 ( 0.000 0.000 3.640) 3.640 9.529 ( 0.000 0.000 -9.983) 9.983 9.547 ( 0.000 0.000 -1.566) 1.566 9.555 ( 0.000 0.000 0.216) 0.216 9.785 ( 0.000 0.000 2.587) 2.587 10.117 ( 0.000 0.000 -8.197) 8.197 10.122 ( 0.000 0.000 -10.598) 10.598 10.144 ( 0.000 0.000 -12.814) 12.814 10.729 ( 0.000 0.000 12.770) 12.770 11.181 ( 0.000 0.000 6.572) 6.572 11.699 ( 0.000 0.000 -17.508) 17.508 12.049 ( 0.000 0.000 -20.707) 20.707 13.498 ( 0.000 0.000 7.251) 7.251 13.531 ( 0.000 0.000 8.490) 8.490 13.953 ( 0.000 0.000 -7.408) 7.408 14.026 ( 0.000 0.000 -8.063) 8.063 17.423 ( 0.000 0.000 3.732) 3.732 17.761 ( 0.000 0.000 2.678) 2.678 18.101 ( 0.000 0.000 -13.834) 13.834 18.204 ( 0.000 0.000 -3.756) 3.756 18.530 ( 0.000 0.000 15.451) 15.451 18.724 ( 0.000 0.000 -1.676) 1.676 18.953 ( 0.000 0.000 -13.779) 13.779 18.998 ( 0.000 0.000 -6.317) 6.317 19.194 ( 0.000 0.000 -1.235) 1.235 19.462 ( 0.000 0.000 10.962) 10.962 19.772 ( 0.000 0.000 -8.737) 8.737 19.964 ( 0.000 0.000 -5.644) 5.644 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 9.823 0.000 25.634) 27.452 1.601 ( 4.480 0.000 21.596) 22.055 2.073 ( -3.719 0.000 11.622) 12.202 2.338 ( 4.188 0.000 11.483) 12.223 2.338 ( 3.847 0.000 11.634) 12.253 2.505 ( 6.284 0.000 14.420) 15.730 2.777 ( 1.014 0.000 -2.038) 2.276 2.896 ( 1.035 0.000 -11.003) 11.052 2.918 ( 3.836 0.000 -2.522) 4.591 2.972 ( 0.478 0.000 16.232) 16.239 2.992 ( 8.671 0.000 -16.865) 18.963 3.096 ( 5.352 0.000 -8.702) 10.217 3.388 ( 10.743 0.000 18.590) 21.471 3.394 ( 0.538 0.000 -2.652) 2.706 3.562 ( 4.021 0.000 -7.184) 8.233 3.823 ( -2.400 0.000 -11.972) 12.210 3.928 ( 1.708 0.000 -9.147) 9.305 4.090 ( 4.704 0.000 14.970) 15.691 4.275 ( 5.068 0.000 18.842) 19.512 4.678 ( 0.873 0.000 9.047) 9.089 5.106 ( -4.817 0.000 -7.786) 9.155 5.123 ( -5.637 0.000 5.396) 7.803 5.450 ( -3.734 0.000 1.220) 3.928 5.536 ( -6.408 0.000 -1.104) 6.503 6.988 ( -4.830 0.000 27.108) 27.535 7.405 ( -2.002 0.000 1.551) 2.533 7.483 ( -0.725 0.000 4.000) 4.065 7.704 ( 4.576 0.000 -5.358) 7.046 7.726 ( -2.716 0.000 15.228) 15.468 7.977 ( 4.071 0.000 -4.801) 6.295 8.049 ( 7.906 0.000 -6.755) 10.399 8.636 ( -2.192 0.000 2.855) 3.599 9.445 ( -1.391 0.000 2.468) 2.833 9.518 ( -2.176 0.000 -2.346) 3.200 9.537 ( 0.722 0.000 -9.988) 10.014 9.598 ( 3.141 0.000 -1.455) 3.462 9.779 ( 0.109 0.000 3.281) 3.283 10.104 ( 0.132 0.000 -9.329) 9.330 10.135 ( 1.250 0.000 -6.391) 6.512 10.223 ( 5.677 0.000 -12.833) 14.033 10.747 ( 1.930 0.000 13.349) 13.487 11.227 ( 4.414 0.000 5.217) 6.834 11.754 ( 5.068 0.000 -17.239) 17.969 12.030 ( -1.685 0.000 -18.926) 19.001 13.492 ( -0.505 0.000 7.683) 7.700 13.530 ( -0.144 0.000 8.605) 8.606 13.970 ( 1.644 0.000 -7.558) 7.735 14.048 ( 1.965 0.000 -9.047) 9.258 17.392 ( -2.793 0.000 3.926) 4.819 17.768 ( 0.574 0.000 2.564) 2.627 18.099 ( -0.215 0.000 -13.529) 13.531 18.192 ( -1.196 0.000 -3.752) 3.938 18.522 ( -0.695 0.000 15.438) 15.453 18.713 ( -1.110 0.000 -1.245) 1.668 18.928 ( -2.575 0.000 -11.309) 11.599 18.981 ( -1.601 0.000 -6.162) 6.367 19.133 ( -5.240 0.000 0.211) 5.245 19.416 ( -4.135 0.000 9.584) 10.438 19.749 ( -2.317 0.000 -8.230) 8.550 19.879 ( -7.527 0.000 -6.046) 9.655 ======================= Grid point 197 (66/105) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 6.501 0.000 18.462) 19.573 1.755 ( 8.902 0.000 22.000) 23.733 2.027 ( -0.533 0.000 11.159) 11.172 2.346 ( 0.531 0.000 8.267) 8.284 2.480 ( 5.668 0.000 8.533) 10.243 2.642 ( 5.326 0.000 10.392) 11.678 2.820 ( 3.734 0.000 -1.026) 3.872 2.917 ( 0.487 0.000 -5.853) 5.873 2.990 ( 1.220 0.000 11.578) 11.642 3.000 ( 3.177 0.000 -0.828) 3.283 3.202 ( 9.334 0.000 -12.908) 15.929 3.218 ( 5.948 0.000 -4.068) 7.206 3.435 ( 4.376 0.000 0.451) 4.399 3.646 ( 9.123 0.000 2.053) 9.351 3.705 ( 9.670 0.000 -8.953) 13.178 3.796 ( 0.905 0.000 -5.554) 5.627 3.984 ( 6.709 0.000 8.737) 11.015 4.265 ( 12.033 0.000 -1.195) 12.092 4.430 ( 9.679 0.000 13.399) 16.529 4.708 ( 2.092 0.000 9.219) 9.454 4.965 ( -8.385 0.000 -7.934) 11.544 4.978 ( -7.767 0.000 4.898) 9.183 5.316 ( -9.261 0.000 1.700) 9.416 5.351 ( -10.933 0.000 -1.129) 10.991 6.858 ( -7.236 0.000 26.950) 27.905 7.350 ( -3.366 0.000 -0.246) 3.375 7.463 ( -0.888 0.000 6.561) 6.621 7.697 ( -0.720 0.000 13.918) 13.936 7.795 ( 3.579 0.000 -4.051) 5.406 8.080 ( 5.190 0.000 -5.358) 7.460 8.181 ( 4.225 0.000 -6.417) 7.683 8.574 ( -3.530 0.000 2.485) 4.317 9.426 ( -0.098 0.000 -0.020) 0.100 9.466 ( -2.520 0.000 -3.086) 3.984 9.558 ( 1.278 0.000 -10.619) 10.695 9.659 ( 2.168 0.000 -4.898) 5.356 9.814 ( 3.398 0.000 5.933) 6.837 10.128 ( 2.050 0.000 -6.356) 6.678 10.148 ( -0.251 0.000 -2.714) 2.725 10.360 ( 6.575 0.000 -11.844) 13.547 10.831 ( 6.946 0.000 13.082) 14.811 11.363 ( 8.507 0.000 2.027) 8.745 11.896 ( 8.165 0.000 -16.377) 18.300 11.986 ( -2.292 0.000 -14.323) 14.505 13.479 ( -0.693 0.000 8.652) 8.680 13.524 ( -0.498 0.000 9.075) 9.089 14.019 ( 2.856 0.000 -8.451) 8.921 14.097 ( 2.494 0.000 -10.701) 10.988 17.320 ( -3.848 0.000 4.157) 5.664 17.778 ( 0.289 0.000 2.539) 2.556 18.087 ( -1.249 0.000 -10.591) 10.665 18.154 ( -2.374 0.000 -4.741) 5.302 18.504 ( -0.958 0.000 15.250) 15.280 18.677 ( -2.397 0.000 -0.022) 2.397 18.833 ( -6.608 0.000 -0.846) 6.662 18.936 ( -2.613 0.000 -5.631) 6.207 19.024 ( -4.159 0.000 -2.900) 5.071 19.306 ( -5.937 0.000 6.298) 8.655 19.673 ( -4.932 0.000 -7.361) 8.861 19.686 ( -10.261 0.000 -8.691) 13.447 ======================= Grid point 198 (67/105) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 6.691 0.000 14.037) 15.550 1.863 ( 1.473 0.000 16.926) 16.990 2.063 ( 3.792 0.000 10.340) 11.013 2.364 ( 1.134 0.000 2.710) 2.938 2.570 ( 2.934 0.000 5.195) 5.966 2.698 ( 0.592 0.000 -0.131) 0.606 2.908 ( -1.075 0.000 4.520) 4.646 2.930 ( 5.290 0.000 6.639) 8.488 3.022 ( 1.461 0.000 -0.873) 1.702 3.042 ( 1.861 0.000 -4.248) 4.638 3.320 ( 3.609 0.000 1.746) 4.009 3.320 ( 3.027 0.000 -3.920) 4.953 3.596 ( 9.483 0.000 0.890) 9.525 3.688 ( -0.711 0.000 -3.171) 3.250 3.822 ( 0.096 0.000 1.192) 1.195 3.927 ( 10.369 0.000 -8.008) 13.101 4.284 ( 17.480 0.000 13.333) 21.985 4.562 ( 15.194 0.000 -8.281) 17.304 4.621 ( 0.835 0.000 0.477) 0.962 4.741 ( 4.141 0.000 10.449) 11.239 4.828 ( -5.564 0.000 -0.265) 5.570 4.842 ( 0.619 0.000 -4.539) 4.581 5.078 ( -12.647 0.000 3.852) 13.221 5.108 ( -11.321 0.000 -1.333) 11.399 6.711 ( -6.418 0.000 25.404) 26.202 7.268 ( -4.288 0.000 -2.577) 5.003 7.443 ( -1.388 0.000 4.635) 4.838 7.684 ( -0.293 0.000 15.963) 15.966 7.835 ( -0.114 0.000 -5.073) 5.075 8.174 ( 3.809 0.000 -2.240) 4.419 8.221 ( -0.146 0.000 -3.071) 3.075 8.503 ( -2.921 0.000 1.431) 3.253 9.423 ( -1.464 0.000 -2.548) 2.938 9.442 ( 1.360 0.000 -3.341) 3.607 9.591 ( 1.971 0.000 -11.549) 11.716 9.679 ( -0.141 0.000 -7.564) 7.566 9.909 ( 5.101 0.000 8.670) 10.060 10.127 ( -1.483 0.000 1.872) 2.388 10.183 ( 3.054 0.000 -3.396) 4.568 10.451 ( 1.859 0.000 -5.562) 5.864 11.051 ( 13.558 0.000 8.726) 16.124 11.571 ( 11.221 0.000 -1.060) 11.271 11.942 ( -1.819 0.000 -8.298) 8.495 12.076 ( 8.799 0.000 -14.707) 17.138 13.465 ( -0.655 0.000 9.773) 9.795 13.510 ( -0.820 0.000 9.763) 9.798 14.081 ( 2.992 0.000 -9.827) 10.272 14.145 ( 2.018 0.000 -11.828) 11.999 17.242 ( -3.485 0.000 4.061) 5.351 17.779 ( -0.204 0.000 2.910) 2.917 18.031 ( -4.408 0.000 2.090) 4.878 18.103 ( -2.253 0.000 -12.023) 12.233 18.484 ( -0.932 0.000 14.518) 14.548 18.614 ( -3.599 0.000 1.526) 3.910 18.691 ( -5.877 0.000 5.529) 8.069 18.879 ( -2.742 0.000 -4.666) 5.412 18.968 ( -1.584 0.000 -6.588) 6.776 19.186 ( -5.386 0.000 2.192) 5.815 19.476 ( -9.562 0.000 -12.893) 16.052 19.550 ( -6.605 0.000 -6.437) 9.223 ======================= Grid point 199 (68/105) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -1.064 0.000 12.374) 12.419 1.994 ( 6.267 0.000 8.982) 10.952 2.147 ( 3.515 0.000 6.661) 7.532 2.388 ( 0.873 0.000 -3.117) 3.237 2.602 ( 0.215 0.000 -0.582) 0.621 2.687 ( -1.311 0.000 -6.598) 6.727 2.889 ( -0.427 0.000 9.198) 9.208 2.957 ( -1.740 0.000 2.702) 3.214 3.029 ( -1.060 0.000 -3.977) 4.116 3.149 ( 7.522 0.000 0.045) 7.523 3.373 ( 1.669 0.000 5.243) 5.502 3.375 ( 2.691 0.000 1.186) 2.940 3.691 ( 1.503 0.000 1.323) 2.003 3.765 ( 6.280 0.000 3.489) 7.184 3.821 ( 0.193 0.000 5.410) 5.413 4.096 ( 5.415 0.000 -9.033) 10.532 4.427 ( -12.011 0.000 0.621) 12.027 4.458 ( -2.973 0.000 10.893) 11.292 4.707 ( -11.314 0.000 -6.429) 13.013 4.775 ( -9.225 0.000 -4.980) 10.483 4.858 ( 14.748 0.000 -3.433) 15.143 4.980 ( 12.018 0.000 2.337) 12.243 4.993 ( 9.042 0.000 -1.727) 9.206 5.037 ( 5.752 0.000 1.179) 5.872 6.604 ( -3.711 0.000 22.956) 23.254 7.186 ( -3.237 0.000 -4.532) 5.569 7.391 ( -3.518 0.000 1.954) 4.024 7.703 ( 2.267 0.000 18.359) 18.499 7.792 ( -3.602 0.000 -7.959) 8.736 8.184 ( -3.123 0.000 0.035) 3.123 8.244 ( 2.974 0.000 3.124) 4.313 8.458 ( -1.482 0.000 0.046) 1.483 9.407 ( -0.090 0.000 -1.385) 1.388 9.471 ( 1.386 0.000 -6.664) 6.806 9.632 ( 1.489 0.000 -13.619) 13.700 9.661 ( -1.354 0.000 -9.657) 9.751 9.994 ( 2.553 0.000 9.508) 9.845 10.108 ( 0.177 0.000 7.831) 7.833 10.246 ( 2.743 0.000 -0.512) 2.790 10.453 ( -1.105 0.000 -0.238) 1.130 11.348 ( 14.087 0.000 6.803) 15.644 11.810 ( 11.188 0.000 -2.719) 11.514 11.910 ( -1.436 0.000 -2.102) 2.546 12.245 ( 7.047 0.000 -12.271) 14.150 13.453 ( -0.448 0.000 10.727) 10.737 13.491 ( -0.920 0.000 10.371) 10.412 14.137 ( 2.278 0.000 -11.035) 11.268 14.179 ( 1.236 0.000 -12.352) 12.413 17.180 ( -2.415 0.000 3.650) 4.377 17.771 ( -0.474 0.000 3.647) 3.678 17.916 ( -6.062 0.000 11.940) 13.391 18.060 ( -1.911 0.000 -15.419) 15.537 18.466 ( -0.727 0.000 13.059) 13.079 18.535 ( -3.766 0.000 2.441) 4.488 18.610 ( -2.106 0.000 4.247) 4.741 18.827 ( -2.132 0.000 -3.577) 4.164 18.948 ( -0.418 0.000 -6.718) 6.731 19.091 ( -3.646 0.000 -1.338) 3.884 19.300 ( -7.184 0.000 -16.870) 18.336 19.412 ( -6.296 0.000 -5.407) 8.299 ======================= Grid point 200 (69/105) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.606 0.000 9.485) 9.504 2.115 ( 5.139 0.000 4.807) 7.037 2.195 ( 1.047 0.000 0.022) 1.047 2.387 ( -1.023 0.000 -7.607) 7.676 2.596 ( -0.256 0.000 -3.400) 3.410 2.658 ( -1.209 0.000 -12.310) 12.369 2.894 ( 0.841 0.000 8.458) 8.499 2.912 ( -2.032 0.000 1.837) 2.739 2.982 ( -3.022 0.000 -1.484) 3.366 3.302 ( 6.460 0.000 5.392) 8.414 3.395 ( 0.625 0.000 8.059) 8.083 3.432 ( 2.542 0.000 0.195) 2.549 3.746 ( 2.945 0.000 8.975) 9.446 3.843 ( 2.291 0.000 4.477) 5.030 3.860 ( 3.245 0.000 3.686) 4.911 4.118 ( -5.366 0.000 -11.113) 12.340 4.236 ( -3.174 0.000 5.691) 6.517 4.303 ( -9.573 0.000 3.541) 10.207 4.497 ( -6.817 0.000 0.283) 6.822 4.593 ( -6.655 0.000 -6.113) 9.036 5.134 ( 10.106 0.000 -4.558) 11.087 5.173 ( 5.640 0.000 0.421) 5.655 5.187 ( 7.073 0.000 -1.310) 7.193 5.189 ( 7.183 0.000 -6.918) 9.972 6.555 ( -1.223 0.000 20.564) 20.600 7.141 ( -1.178 0.000 -5.606) 5.729 7.317 ( -3.057 0.000 1.792) 3.543 7.710 ( -3.556 0.000 -10.157) 10.761 7.769 ( 3.643 0.000 19.376) 19.715 8.105 ( -4.026 0.000 0.958) 4.139 8.297 ( 2.073 0.000 6.444) 6.769 8.436 ( -0.754 0.000 -0.381) 0.845 9.415 ( 0.599 0.000 -0.290) 0.665 9.502 ( 1.585 0.000 -9.187) 9.323 9.632 ( -1.276 0.000 -11.432) 11.502 9.637 ( -0.987 0.000 -15.264) 15.296 10.028 ( 1.277 0.000 10.284) 10.363 10.125 ( 0.774 0.000 11.170) 11.197 10.290 ( 1.437 0.000 2.419) 2.814 10.424 ( -1.332 0.000 1.646) 2.117 11.609 ( 10.598 0.000 6.991) 12.696 11.871 ( -2.695 0.000 3.114) 4.119 12.010 ( 7.364 0.000 -3.254) 8.051 12.357 ( 3.579 0.000 -9.786) 10.420 13.447 ( -0.121 0.000 11.290) 11.291 13.473 ( -0.718 0.000 10.743) 10.767 14.174 ( 1.245 0.000 -11.787) 11.852 14.196 ( 0.489 0.000 -12.531) 12.541 17.143 ( -1.175 0.000 3.181) 3.391 17.761 ( -0.404 0.000 4.457) 4.475 17.805 ( -4.103 0.000 15.778) 16.302 18.027 ( -1.200 0.000 -15.920) 15.965 18.456 ( -0.256 0.000 12.090) 12.093 18.469 ( -2.350 0.000 2.401) 3.360 18.588 ( -0.365 0.000 2.610) 2.635 18.793 ( -1.141 0.000 -2.835) 3.056 18.946 ( 0.076 0.000 -5.728) 5.729 19.035 ( -1.762 0.000 -3.285) 3.728 19.184 ( -3.880 0.000 -20.171) 20.541 19.304 ( -3.849 0.000 -4.512) 5.931 ======================= Grid point 201 (70/105) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 0.000 8.410) 8.410 2.179 ( 0.000 0.000 3.767) 3.767 2.201 ( -0.000 0.000 -3.639) 3.639 2.366 ( 0.000 0.000 -9.680) 9.680 2.596 ( 0.000 0.000 -3.483) 3.483 2.645 ( 0.000 0.000 -15.436) 15.436 2.889 ( 0.000 0.000 2.720) 2.720 2.918 ( 0.000 0.000 3.867) 3.867 2.931 ( 0.000 0.000 3.491) 3.491 3.378 ( -0.000 0.000 11.799) 11.799 3.401 ( 0.000 0.000 9.351) 9.351 3.464 ( 0.000 0.000 -5.412) 5.412 3.778 ( 0.000 0.000 15.269) 15.269 3.893 ( -0.000 0.000 1.554) 1.554 3.908 ( -0.000 0.000 -2.413) 2.413 4.010 ( 0.000 0.000 3.380) 3.380 4.169 ( 0.000 0.000 0.602) 0.602 4.224 ( 0.000 0.000 -1.914) 1.914 4.428 ( 0.000 0.000 1.274) 1.274 4.523 ( 0.000 0.000 -6.041) 6.041 5.235 ( 0.000 0.000 -0.162) 0.162 5.246 ( -0.000 0.000 -9.673) 9.673 5.261 ( 0.000 0.000 -3.352) 3.352 5.262 ( 0.000 0.000 -2.218) 2.218 6.544 ( 0.000 0.000 19.510) 19.510 7.130 ( -0.000 0.000 -5.882) 5.882 7.283 ( 0.000 0.000 2.049) 2.049 7.669 ( 0.000 0.000 -10.975) 10.975 7.819 ( 0.000 0.000 21.186) 21.186 8.052 ( 0.000 0.000 -0.443) 0.443 8.321 ( 0.000 0.000 7.405) 7.405 8.427 ( 0.000 0.000 -0.303) 0.303 9.423 ( 0.000 0.000 0.279) 0.279 9.525 ( -0.000 0.000 -10.426) 10.426 9.617 ( 0.000 0.000 -14.999) 14.999 9.617 ( 0.000 0.000 -12.303) 12.303 10.045 ( 0.000 0.000 10.394) 10.394 10.132 ( 0.000 0.000 11.775) 11.775 10.305 ( 0.000 0.000 4.227) 4.227 10.409 ( 0.000 0.000 1.476) 1.476 11.777 ( 0.000 0.000 4.489) 4.489 11.788 ( -0.000 0.000 7.930) 7.930 12.091 ( 0.000 0.000 -3.419) 3.419 12.393 ( 0.000 0.000 -8.632) 8.632 13.447 ( 0.000 0.000 11.466) 11.466 13.465 ( 0.000 0.000 10.856) 10.856 14.187 ( 0.000 0.000 -12.037) 12.037 14.201 ( 0.000 0.000 -12.568) 12.568 17.131 ( 0.000 0.000 2.975) 2.975 17.757 ( 0.000 0.000 4.824) 4.824 17.760 ( 0.000 0.000 16.653) 16.653 18.014 ( 0.000 0.000 -16.012) 16.012 18.443 ( 0.000 0.000 2.201) 2.201 18.454 ( 0.000 0.000 11.968) 11.968 18.585 ( 0.000 0.000 1.979) 1.979 18.781 ( 0.000 0.000 -2.593) 2.593 18.947 ( 0.000 0.000 -4.916) 4.916 19.017 ( 0.000 0.000 -3.837) 3.837 19.143 ( 0.000 0.000 -21.784) 21.784 19.262 ( 0.000 0.000 -4.147) 4.147 ======================= Grid point 208 (71/105) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 6.677 25.688) 26.541 1.570 ( 0.000 2.887 22.692) 22.875 1.941 ( 0.000 -15.054 13.939) 20.517 1.957 ( 0.000 -15.444 17.807) 23.571 2.533 ( 0.000 10.613 10.980) 15.271 2.602 ( 0.000 8.596 5.840) 10.392 2.755 ( 0.000 -0.026 3.083) 3.083 2.840 ( 0.000 -0.700 -5.089) 5.136 2.904 ( 0.000 0.047 -9.495) 9.495 2.936 ( 0.000 3.909 -16.204) 16.669 3.030 ( 0.000 1.168 -5.161) 5.292 3.055 ( 0.000 5.166 -0.001) 5.166 3.280 ( 0.000 1.624 23.796) 23.852 3.338 ( 0.000 -4.443 -2.677) 5.187 3.497 ( 0.000 -3.339 0.832) 3.442 3.789 ( 0.000 -11.935 7.971) 14.352 3.850 ( 0.000 -0.396 -11.163) 11.170 3.933 ( 0.000 -3.287 2.040) 3.869 4.372 ( 0.000 9.356 15.941) 18.484 4.635 ( 0.000 -3.840 7.265) 8.218 5.212 ( 0.000 6.570 -1.977) 6.861 5.290 ( 0.000 7.797 1.041) 7.866 5.454 ( 0.000 -3.337 0.914) 3.460 5.559 ( 0.000 -4.524 -0.342) 4.537 7.128 ( 0.000 8.393 25.190) 26.551 7.453 ( 0.000 -3.858 5.727) 6.905 7.470 ( 0.000 3.689 2.581) 4.503 7.676 ( 0.000 2.178 -5.009) 5.461 7.707 ( 0.000 -6.941 15.460) 16.947 7.853 ( 0.000 -4.340 -8.576) 9.612 8.036 ( 0.000 8.629 -4.190) 9.592 8.545 ( 0.000 -11.624 1.278) 11.694 9.415 ( 0.000 -3.617 -2.577) 4.441 9.443 ( 0.000 -1.899 2.289) 2.975 9.562 ( 0.000 1.286 -0.858) 1.546 9.613 ( 0.000 0.042 -2.284) 2.285 9.851 ( 0.000 5.935 -0.365) 5.946 10.075 ( 0.000 -4.077 -9.223) 10.084 10.134 ( 0.000 1.066 -8.324) 8.392 10.154 ( 0.000 0.528 -12.151) 12.163 10.845 ( 0.000 10.164 9.632) 14.003 11.150 ( 0.000 -3.488 6.174) 7.091 11.746 ( 0.000 4.737 -18.075) 18.686 11.997 ( 0.000 -5.187 -20.455) 21.103 13.503 ( 0.000 0.505 7.393) 7.410 13.527 ( 0.000 -0.458 8.273) 8.285 13.962 ( 0.000 0.855 -7.410) 7.459 14.013 ( 0.000 -1.239 -7.877) 7.974 17.469 ( 0.000 4.588 3.811) 5.964 17.708 ( 0.000 -5.152 2.956) 5.940 18.130 ( 0.000 2.636 -12.820) 13.089 18.202 ( 0.000 -0.379 -5.066) 5.080 18.545 ( 0.000 1.719 13.635) 13.743 18.683 ( 0.000 -3.857 0.693) 3.919 18.964 ( 0.000 0.968 -12.568) 12.605 18.997 ( 0.000 -0.303 -7.560) 7.566 19.214 ( 0.000 2.277 1.150) 2.551 19.399 ( 0.000 -5.618 10.162) 11.611 19.806 ( 0.000 3.333 -8.276) 8.922 19.945 ( 0.000 -2.083 -6.171) 6.513 ======================= Grid point 209 (72/105) ======================= q-point: ( 0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.215 5.625 24.079) 26.389 1.625 ( 4.978 3.445 21.709) 22.537 1.922 ( 0.784 -11.374 15.885) 19.553 2.057 ( 6.174 -15.108 15.171) 22.283 2.554 ( 1.381 8.899 6.410) 11.054 2.639 ( 3.013 7.007 7.168) 10.467 2.779 ( 2.303 2.134 2.018) 3.732 2.875 ( 2.229 -0.050 -5.294) 5.745 2.928 ( 2.840 -0.806 -6.925) 7.528 2.980 ( 2.305 1.457 0.946) 2.886 3.055 ( 5.141 4.461 -8.118) 10.595 3.130 ( 5.460 2.840 -7.334) 9.574 3.332 ( 2.143 -3.442 -1.962) 4.504 3.387 ( 7.628 -1.446 13.660) 15.712 3.528 ( 2.917 -3.429 1.788) 4.844 3.806 ( 0.619 -10.775 7.809) 13.322 3.845 ( 1.941 2.483 -9.069) 9.601 4.009 ( 6.770 -4.078 0.117) 7.904 4.402 ( 3.024 8.500 14.930) 17.444 4.648 ( 1.285 -3.519 7.045) 7.979 5.153 ( -5.551 6.394 -0.487) 8.481 5.225 ( -5.723 7.245 -0.142) 9.234 5.416 ( -4.052 -3.544 1.328) 5.545 5.493 ( -6.224 -4.313 -0.475) 7.588 7.074 ( -4.763 8.386 25.564) 27.323 7.430 ( -1.990 -3.890 8.406) 9.474 7.456 ( -1.529 2.897 2.905) 4.378 7.656 ( -1.887 -5.623 10.467) 12.030 7.736 ( 4.401 2.869 -4.718) 7.061 7.953 ( 6.453 -5.824 -6.099) 10.619 8.081 ( 4.011 7.559 -5.271) 10.050 8.545 ( -0.007 -9.818 0.499) 9.831 9.421 ( 0.038 -3.344 -2.217) 4.012 9.437 ( -0.039 -1.723 0.157) 1.731 9.546 ( -1.104 1.022 -1.430) 2.075 9.612 ( 0.086 -1.100 -2.223) 2.482 9.853 ( 0.483 6.071 0.077) 6.091 10.070 ( 0.164 -3.584 -7.854) 8.635 10.155 ( 1.796 1.826 -7.197) 7.640 10.220 ( 5.106 -0.666 -11.959) 13.021 10.867 ( 2.346 10.702 9.860) 14.739 11.195 ( 4.338 -3.651 5.123) 7.641 11.787 ( 3.885 3.449 -17.609) 18.359 11.986 ( -0.955 -4.380 -18.826) 19.352 13.498 ( -0.449 0.576 7.784) 7.818 13.525 ( -0.193 -0.520 8.437) 8.456 13.980 ( 1.739 0.977 -7.715) 7.969 14.035 ( 1.968 -1.269 -8.775) 9.082 17.439 ( -2.686 4.761 4.079) 6.821 17.702 ( -0.630 -6.199 3.113) 6.965 18.131 ( 0.081 2.865 -12.829) 13.145 18.198 ( -0.395 0.257 -5.377) 5.397 18.535 ( -0.961 1.464 13.928) 14.038 18.669 ( -1.394 -4.052 1.277) 4.471 18.937 ( -2.627 0.803 -10.143) 10.508 18.972 ( -2.217 -0.805 -6.797) 7.195 19.166 ( -4.203 3.262 1.696) 5.584 19.360 ( -3.565 -5.131 8.736) 10.740 19.773 ( -3.218 2.444 -8.204) 9.145 19.872 ( -6.570 -1.097 -6.533) 9.330 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 7.199 3.774 19.111) 20.768 1.805 ( 8.646 4.967 20.855) 23.116 1.970 ( 3.714 -5.058 14.446) 15.750 2.178 ( 5.035 -11.987 12.903) 18.317 2.579 ( 1.036 5.666 1.210) 5.886 2.686 ( 1.066 1.427 1.794) 2.528 2.840 ( 2.047 3.059 3.198) 4.876 2.925 ( 3.897 1.926 -3.514) 5.590 2.977 ( 0.122 -1.617 5.984) 6.200 3.017 ( 2.632 1.093 1.262) 3.117 3.227 ( 7.991 2.979 -11.290) 14.149 3.266 ( 7.029 4.074 -2.566) 8.520 3.392 ( 5.618 -3.588 -1.163) 6.767 3.559 ( 3.424 -10.495 -4.836) 12.052 3.643 ( 11.034 0.059 5.357) 12.266 3.803 ( 0.071 -4.212 1.331) 4.418 4.007 ( 13.656 4.688 2.042) 14.581 4.218 ( 13.462 -3.816 -2.744) 14.259 4.506 ( 7.123 5.899 11.279) 14.586 4.693 ( 3.156 -2.469 6.331) 7.492 4.995 ( -9.252 5.663 1.070) 10.900 5.070 ( -8.865 6.096 -1.568) 10.872 5.275 ( -9.465 -4.093 2.418) 10.592 5.313 ( -10.648 -3.795 -1.031) 11.351 6.949 ( -6.838 9.013 25.528) 27.922 7.376 ( -3.105 -5.017 10.027) 11.634 7.411 ( -2.637 1.791 3.278) 4.573 7.628 ( -1.525 -5.435 7.522) 9.405 7.829 ( 3.966 2.898 -2.588) 5.552 8.064 ( 3.691 -8.045 -5.142) 10.237 8.175 ( 4.571 7.651 -5.685) 10.572 8.546 ( 0.053 -4.957 -0.918) 5.042 9.412 ( -0.340 -1.421 -1.888) 2.387 9.441 ( -0.105 -1.438 -3.057) 3.380 9.537 ( 0.532 -0.175 -4.109) 4.147 9.623 ( 0.944 -3.006 -2.817) 4.227 9.882 ( 2.400 5.430 2.439) 6.418 10.085 ( 0.980 -3.667 -4.070) 5.565 10.194 ( 1.887 3.549 -5.186) 6.562 10.336 ( 5.400 -2.521 -10.326) 11.922 10.958 ( 6.871 11.417 9.301) 16.250 11.326 ( 8.123 -4.225 2.672) 9.538 11.899 ( 6.593 0.544 -16.314) 17.604 11.965 ( -0.708 -1.987 -14.721) 14.872 13.486 ( -0.664 0.673 8.690) 8.741 13.517 ( -0.526 -0.609 8.989) 9.025 14.029 ( 2.857 1.077 -8.782) 9.298 14.085 ( 2.601 -1.181 -10.378) 10.764 17.369 ( -3.792 5.017 4.516) 7.742 17.678 ( -1.683 -8.573 3.881) 9.560 18.130 ( -0.318 3.533 -12.588) 13.078 18.184 ( -1.038 1.998 -5.860) 6.278 18.508 ( -1.488 0.637 14.581) 14.671 18.624 ( -3.017 -4.526 3.125) 6.273 18.852 ( -5.432 1.456 -2.022) 5.976 18.915 ( -3.025 -1.698 -5.328) 6.358 19.069 ( -4.448 4.135 -0.925) 6.143 19.263 ( -5.329 -4.176 5.205) 8.540 19.671 ( -6.987 0.858 -8.514) 11.047 19.707 ( -8.143 0.639 -8.038) 11.459 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 7.426 4.983 14.766) 17.263 1.923 ( 2.770 5.786 16.296) 17.513 2.067 ( 5.017 -0.458 11.681) 12.721 2.267 ( 3.770 -8.645 8.977) 13.021 2.595 ( 0.364 2.239 -2.586) 3.439 2.689 ( -0.597 -1.114 -3.709) 3.918 2.841 ( -1.276 -2.493 4.758) 5.521 2.957 ( -0.693 -4.050 5.941) 7.224 3.044 ( 0.549 3.877 -1.592) 4.227 3.057 ( 5.856 2.936 -1.725) 6.774 3.316 ( 2.214 0.420 -2.495) 3.362 3.391 ( 4.690 5.714 2.146) 7.698 3.567 ( 5.424 -5.395 0.698) 7.682 3.589 ( 3.916 -5.844 -0.745) 7.074 3.821 ( 2.393 0.202 1.065) 2.628 3.898 ( 11.407 -2.749 -4.769) 12.666 4.355 ( 16.895 5.988 5.725) 18.817 4.544 ( 16.422 -2.144 -6.783) 17.897 4.678 ( 5.021 4.381 2.368) 7.072 4.759 ( 0.342 1.437 7.236) 7.385 4.805 ( -3.686 0.357 0.477) 3.734 4.893 ( -5.951 3.280 -3.298) 7.553 5.039 ( -12.113 -3.618 4.268) 13.343 5.079 ( -10.359 -2.879 -1.071) 10.805 6.810 ( -6.141 9.912 23.958) 26.645 7.298 ( -4.292 -1.265 3.597) 5.741 7.358 ( -2.517 -4.907 6.189) 8.289 7.579 ( -3.025 -7.346 6.691) 10.387 7.888 ( 1.534 3.533 -0.286) 3.862 8.102 ( 0.203 -8.493 -2.455) 8.843 8.263 ( 3.804 8.276 -3.347) 9.704 8.541 ( -0.598 -0.196 -0.984) 1.168 9.407 ( -0.369 -0.793 -3.046) 3.169 9.443 ( 0.569 -0.465 -3.573) 3.648 9.564 ( 1.839 -1.243 -7.875) 8.182 9.641 ( 0.506 -3.283 -5.851) 6.728 9.948 ( 3.592 3.511 6.356) 8.101 10.094 ( -0.273 -2.710 1.474) 3.097 10.240 ( 2.667 4.527 -3.423) 6.271 10.418 ( 2.197 -3.289 -5.535) 6.803 11.156 ( 11.710 9.733 7.168) 16.829 11.520 ( 10.018 -5.481 0.720) 11.442 11.959 ( 0.719 1.770 -9.940) 10.122 12.056 ( 7.788 -2.021 -14.148) 16.276 13.472 ( -0.684 0.673 9.754) 9.801 13.503 ( -0.801 -0.619 9.748) 9.800 14.091 ( 2.880 0.937 -10.154) 10.596 14.136 ( 2.189 -0.896 -11.569) 11.808 17.291 ( -3.543 5.063 4.695) 7.761 17.634 ( -2.566 -10.930 5.484) 12.495 18.114 ( -1.245 4.746 -10.953) 12.002 18.153 ( -1.930 4.410 -5.784) 7.525 18.476 ( -1.629 -0.722 14.666) 14.773 18.546 ( -4.185 -4.807 5.372) 8.335 18.737 ( -4.961 3.129 3.365) 6.762 18.854 ( -2.784 -2.391 -3.145) 4.833 18.994 ( -2.720 2.786 -4.949) 6.297 19.152 ( -5.098 -3.442 0.985) 6.229 19.493 ( -8.789 1.887 -11.575) 14.655 19.555 ( -7.077 -0.057 -7.831) 10.555 ======================= Grid point 212 (75/105) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.425 7.846 11.638) 14.042 2.056 ( 6.745 5.960 9.255) 12.910 2.155 ( 3.187 0.186 7.308) 7.975 2.339 ( 3.118 -5.294 3.365) 7.005 2.590 ( -0.904 -0.177 -5.894) 5.965 2.663 ( -1.670 -2.080 -8.127) 8.553 2.812 ( -1.011 -5.200 7.556) 9.228 2.939 ( -1.179 -7.514 0.244) 7.609 3.010 ( -2.762 4.459 -0.300) 5.253 3.178 ( 4.321 0.482 3.620) 5.657 3.366 ( 3.301 1.776 0.612) 3.798 3.461 ( 2.033 6.619 3.294) 7.667 3.611 ( 3.598 -6.822 2.560) 8.126 3.706 ( 3.814 -4.453 3.022) 6.596 3.900 ( 4.705 5.939 3.457) 8.328 4.091 ( 6.652 -1.715 -6.949) 9.772 4.474 ( -10.624 3.457 -0.843) 11.204 4.507 ( -7.119 6.075 9.066) 13.030 4.654 ( -11.837 -4.517 -7.292) 14.618 4.755 ( -10.178 -3.157 -0.494) 10.668 4.874 ( 14.499 1.516 -2.298) 14.758 4.962 ( 11.771 -1.662 2.198) 12.089 4.997 ( 9.430 1.354 -2.860) 9.947 5.050 ( 7.549 0.379 -0.432) 7.571 6.706 ( -3.685 10.339 21.415) 24.064 7.214 ( -3.364 0.503 -0.649) 3.463 7.298 ( -3.280 -8.049 4.590) 9.829 7.516 ( -2.770 -10.852 5.894) 12.657 7.897 ( -0.367 4.969 2.294) 5.486 8.086 ( -1.471 -6.420 0.034) 6.586 8.335 ( 3.178 7.666 0.194) 8.301 8.522 ( -1.208 2.611 -0.367) 2.900 9.401 ( 0.005 -0.241 -1.927) 1.941 9.456 ( 0.560 -1.670 -5.566) 5.838 9.604 ( 1.672 -1.556 -11.530) 11.754 9.641 ( -0.465 -1.894 -9.665) 9.859 10.010 ( 1.980 1.645 8.906) 9.271 10.088 ( 0.198 -1.664 7.385) 7.573 10.296 ( 2.445 4.124 -1.004) 4.899 10.434 ( -0.251 -2.027 -1.028) 2.286 11.412 ( 12.112 6.174 6.581) 15.104 11.711 ( 7.433 -7.284 1.453) 10.508 12.001 ( 3.539 6.331 -6.233) 9.563 12.211 ( 6.748 -3.409 -11.634) 13.875 13.459 ( -0.520 0.567 10.660) 10.687 13.486 ( -0.853 -0.527 10.408) 10.456 14.144 ( 2.135 0.654 -11.258) 11.477 14.173 ( 1.398 -0.550 -12.187) 12.279 17.227 ( -2.559 4.862 4.559) 7.140 17.576 ( -2.816 -12.265 7.590) 14.695 18.079 ( -2.070 7.505 -4.249) 8.869 18.107 ( -2.281 5.550 -8.673) 10.547 18.439 ( -2.051 -3.142 10.562) 11.209 18.467 ( -2.907 -4.034 8.061) 9.471 18.659 ( -2.483 3.444 3.856) 5.735 18.802 ( -2.093 -2.707 -1.382) 3.690 18.953 ( -1.351 1.023 -6.179) 6.407 19.060 ( -3.705 -3.062 -2.736) 5.530 19.331 ( -6.566 2.904 -14.319) 16.018 19.413 ( -6.250 -0.326 -7.446) 9.726 ======================= Grid point 213 (76/105) ======================= q-point: ( 0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.762 8.206 8.651) 11.948 2.175 ( 2.921 1.565 1.369) 3.586 2.203 ( 3.055 4.002 4.692) 6.882 2.382 ( 0.479 -0.947 -3.850) 3.994 2.559 ( -1.730 -1.765 -7.796) 8.178 2.650 ( 1.100 -1.458 -8.731) 8.920 2.801 ( -0.357 -7.460 3.986) 8.466 2.888 ( -3.803 -7.526 -4.057) 9.358 2.963 ( -1.292 4.023 7.007) 8.182 3.223 ( 0.621 -6.849 11.300) 13.228 3.462 ( 5.042 5.014 -2.320) 7.480 3.481 ( 0.248 5.459 5.614) 7.835 3.729 ( 7.114 -2.828 2.993) 8.219 3.777 ( 3.605 -4.099 3.554) 6.514 3.982 ( 2.576 9.236 7.644) 12.263 4.141 ( -4.229 2.017 -9.943) 10.992 4.250 ( -7.192 0.021 4.884) 8.694 4.341 ( -7.559 4.674 2.074) 9.126 4.425 ( -7.125 -6.335 -0.409) 9.543 4.564 ( -7.411 -3.327 -3.375) 8.797 5.122 ( 7.901 -0.578 -1.125) 8.001 5.154 ( 6.480 -1.170 -0.747) 6.626 5.204 ( 8.315 2.106 -6.060) 10.502 5.229 ( 7.427 1.797 -4.813) 9.031 6.656 ( -1.285 10.351 18.965) 21.644 7.167 ( -1.168 1.451 -3.121) 3.635 7.230 ( -2.864 -8.439 3.300) 9.503 7.469 ( -1.664 -14.007 3.236) 14.472 7.889 ( -0.152 5.160 6.203) 8.070 8.049 ( -1.815 -3.950 1.340) 4.549 8.395 ( 2.610 7.111 2.566) 7.998 8.493 ( -1.510 3.856 0.023) 4.141 9.408 ( 0.490 -0.485 -0.919) 1.149 9.467 ( 0.478 -3.173 -6.799) 7.518 9.620 ( -0.070 -0.839 -13.815) 13.841 9.626 ( -0.739 -0.627 -12.766) 12.803 10.035 ( 0.881 0.882 10.426) 10.500 10.101 ( 0.614 -2.002 10.945) 11.143 10.334 ( 1.141 3.581 1.375) 4.002 10.422 ( -0.640 -0.458 1.043) 1.307 11.634 ( 8.829 2.602 7.188) 11.679 11.801 ( 1.206 -5.123 4.695) 7.053 12.096 ( 4.692 6.659 -4.995) 9.556 12.322 ( 3.663 -3.580 -9.233) 10.558 13.451 ( -0.205 0.399 11.189) 11.198 13.470 ( -0.627 -0.358 10.802) 10.826 14.178 ( 1.136 0.386 -11.911) 11.972 14.194 ( 0.602 -0.266 -12.436) 12.453 17.187 ( -1.303 4.561 4.299) 6.402 17.524 ( -1.951 -12.408 9.335) 15.649 18.036 ( -1.775 11.027 4.251) 11.950 18.068 ( -1.321 4.320 -14.436) 15.127 18.394 ( -1.808 -5.361 3.368) 6.585 18.431 ( -0.918 -3.044 12.746) 13.137 18.628 ( -0.759 3.050 3.271) 4.536 18.768 ( -1.123 -2.781 -0.545) 3.048 18.935 ( -0.467 -0.273 -5.760) 5.786 19.000 ( -1.954 -2.779 -5.381) 6.364 19.227 ( -3.340 3.501 -16.064) 16.777 19.307 ( -3.700 -0.070 -7.034) 7.948 ======================= Grid point 214 (77/105) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 7.977 7.643) 11.047 2.185 ( -0.000 -2.218 -1.743) 2.821 2.265 ( 0.000 7.928 4.131) 8.940 2.371 ( 0.000 0.553 -8.453) 8.471 2.538 ( 0.000 -2.310 -8.491) 8.799 2.684 ( -0.000 0.704 -11.768) 11.789 2.788 ( 0.000 -7.379 1.887) 7.617 2.835 ( 0.000 -9.459 0.589) 9.477 2.951 ( 0.000 3.373 7.593) 8.308 3.227 ( 0.000 -9.526 14.509) 17.356 3.482 ( 0.000 5.273 6.886) 8.673 3.525 ( 0.000 4.717 -3.889) 6.113 3.840 ( -0.000 0.061 2.488) 2.489 3.841 ( 0.000 -3.568 3.199) 4.792 3.987 ( 0.000 10.307 8.173) 13.154 4.040 ( 0.000 2.257 0.110) 2.260 4.151 ( 0.000 -1.683 -0.568) 1.776 4.272 ( 0.000 4.470 -1.941) 4.873 4.375 ( 0.000 -5.500 3.273) 6.400 4.475 ( 0.000 -4.463 -5.815) 7.330 5.202 ( 0.000 -1.198 -0.955) 1.532 5.223 ( 0.000 -1.383 -1.906) 2.355 5.299 ( -0.000 2.430 -8.735) 9.067 5.307 ( 0.000 2.397 -4.059) 4.714 6.644 ( 0.000 10.296 17.906) 20.655 7.158 ( -0.000 2.924 -4.793) 5.614 7.197 ( 0.000 -9.520 3.982) 10.319 7.451 ( 0.000 -14.833 1.517) 14.910 7.889 ( 0.000 4.254 8.653) 9.642 8.026 ( 0.000 -2.426 1.310) 2.757 8.433 ( 0.000 7.630 4.309) 8.763 8.468 ( 0.000 3.462 -0.830) 3.560 9.414 ( 0.000 -0.668 -0.360) 0.759 9.473 ( -0.000 -4.183 -7.411) 8.510 9.616 ( 0.000 -0.051 -14.819) 14.820 9.617 ( -0.000 -0.062 -13.269) 13.270 10.047 ( 0.000 0.443 10.842) 10.851 10.106 ( 0.000 -2.169 11.747) 11.945 10.345 ( 0.000 3.346 2.694) 4.295 10.415 ( 0.000 0.218 1.225) 1.244 11.763 ( 0.000 -0.893 5.839) 5.907 11.777 ( -0.000 -1.017 7.978) 8.043 12.152 ( 0.000 5.507 -4.717) 7.251 12.360 ( 0.000 -3.421 -8.166) 8.853 13.450 ( 0.000 0.286 11.350) 11.354 13.463 ( 0.000 -0.238 10.920) 10.922 14.190 ( 0.000 0.255 -12.124) 12.126 14.200 ( 0.000 -0.130 -12.498) 12.499 17.173 ( 0.000 4.415 4.172) 6.075 17.503 ( 0.000 -12.244 9.976) 15.794 18.016 ( 0.000 11.926 6.152) 13.419 18.054 ( 0.000 3.984 -15.591) 16.092 18.374 ( 0.000 -5.410 2.385) 5.913 18.422 ( 0.000 -3.401 12.868) 13.310 18.621 ( 0.000 2.826 2.916) 4.060 18.757 ( 0.000 -2.780 -0.342) 2.801 18.931 ( 0.000 -0.785 -5.165) 5.225 18.980 ( 0.000 -2.596 -6.561) 7.056 19.193 ( 0.000 3.691 -16.704) 17.107 19.268 ( 0.000 0.107 -6.803) 6.804 ======================= Grid point 221 (78/105) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 1.670 ( 0.000 -9.316 22.667) 24.507 1.670 ( 0.000 9.316 22.667) 24.507 1.701 ( 0.000 -7.728 18.485) 20.035 1.701 ( 0.000 7.728 18.485) 20.035 2.649 ( 0.000 -2.015 3.968) 4.450 2.649 ( 0.000 2.015 3.968) 4.450 2.811 ( 0.000 -3.889 -1.291) 4.098 2.811 ( 0.000 3.889 -1.291) 4.098 2.946 ( 0.000 -4.072 -6.211) 7.427 2.946 ( 0.000 4.072 -6.211) 7.427 3.082 ( 0.000 -2.916 -10.085) 10.498 3.082 ( 0.000 2.916 -10.085) 10.498 3.293 ( 0.000 -1.059 3.236) 3.405 3.293 ( 0.000 1.059 3.236) 3.405 3.539 ( 0.000 -10.845 21.694) 24.254 3.539 ( 0.000 10.845 21.694) 24.254 3.884 ( 0.000 -2.746 -8.926) 9.339 3.884 ( 0.000 2.746 -8.926) 9.339 4.529 ( 0.000 -6.921 9.767) 11.971 4.529 ( 0.000 6.921 9.767) 11.971 5.355 ( 0.000 -6.901 -0.202) 6.904 5.355 ( 0.000 6.901 -0.202) 6.904 5.441 ( 0.000 -7.398 0.881) 7.450 5.441 ( 0.000 7.398 0.881) 7.450 7.320 ( 0.000 -9.917 18.804) 21.259 7.320 ( 0.000 9.917 18.804) 21.259 7.559 ( 0.000 -5.836 5.858) 8.269 7.559 ( 0.000 5.836 5.858) 8.269 7.761 ( 0.000 -4.917 -7.803) 9.223 7.761 ( 0.000 4.917 -7.803) 9.223 8.269 ( 0.000 -14.922 -1.560) 15.003 8.269 ( 0.000 14.922 -1.560) 15.003 9.405 ( 0.000 -1.556 0.414) 1.610 9.405 ( 0.000 1.556 0.414) 1.610 9.591 ( 0.000 -1.616 -0.977) 1.888 9.591 ( 0.000 1.616 -0.977) 1.888 9.973 ( 0.000 -6.208 -4.835) 7.869 9.973 ( 0.000 6.208 -4.835) 7.869 10.153 ( 0.000 -0.689 -10.046) 10.070 10.153 ( 0.000 0.689 -10.046) 10.070 11.037 ( 0.000 -8.383 6.363) 10.524 11.037 ( 0.000 8.383 6.363) 10.524 11.868 ( 0.000 -7.368 -19.452) 20.800 11.868 ( 0.000 7.368 -19.452) 20.800 13.515 ( 0.000 -0.675 7.795) 7.824 13.515 ( 0.000 0.675 7.795) 7.824 13.985 ( 0.000 -1.480 -7.550) 7.694 13.985 ( 0.000 1.480 -7.550) 7.694 17.585 ( 0.000 -6.897 3.584) 7.773 17.585 ( 0.000 6.897 3.584) 7.773 18.180 ( 0.000 -2.046 -9.100) 9.327 18.180 ( 0.000 2.046 -9.100) 9.327 18.601 ( 0.000 -4.017 7.550) 8.552 18.601 ( 0.000 4.017 7.550) 8.552 18.984 ( 0.000 -0.969 -10.177) 10.223 18.984 ( 0.000 0.969 -10.177) 10.223 19.287 ( 0.000 -5.205 6.371) 8.227 19.287 ( 0.000 5.205 6.371) 8.227 19.883 ( 0.000 -4.099 -7.234) 8.315 19.883 ( 0.000 4.099 -7.234) 8.315 ======================= Grid point 223 (79/105) ======================= q-point: ( 0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 4.754 -7.499 22.163) 23.876 1.720 ( 4.754 7.499 22.163) 23.876 1.792 ( 7.495 -11.247 17.625) 22.211 1.792 ( 7.495 11.247 17.625) 22.211 2.658 ( 0.491 -2.529 1.029) 2.774 2.658 ( 0.491 2.529 1.029) 2.774 2.869 ( 5.097 -3.654 0.441) 6.287 2.869 ( 5.097 3.654 0.441) 6.287 2.951 ( 0.106 -5.226 -2.176) 5.662 2.951 ( 0.106 5.226 -2.176) 5.662 3.141 ( 5.724 -3.003 -9.914) 11.835 3.141 ( 5.724 3.003 -9.914) 11.835 3.317 ( 2.218 -3.711 -0.705) 4.380 3.317 ( 2.218 3.711 -0.705) 4.380 3.581 ( 4.036 -9.800 18.936) 21.700 3.581 ( 4.036 9.800 18.936) 21.700 3.929 ( 4.912 -4.717 -7.201) 9.911 3.929 ( 4.912 4.717 -7.201) 9.911 4.548 ( 1.934 -6.540 9.239) 11.484 4.548 ( 1.934 6.540 9.239) 11.484 5.292 ( -5.811 -5.821 0.353) 8.233 5.292 ( -5.811 5.821 0.353) 8.233 5.386 ( -5.330 -5.616 0.580) 7.765 5.386 ( -5.330 5.616 0.580) 7.765 7.272 ( -4.137 -10.760 20.488) 23.508 7.272 ( -4.137 10.760 20.488) 23.508 7.548 ( -0.795 -5.258 3.937) 6.616 7.548 ( -0.795 5.258 3.937) 6.616 7.825 ( 4.722 -6.222 -6.528) 10.180 7.825 ( 4.722 6.222 -6.528) 10.180 8.298 ( 2.775 -13.777 -2.913) 14.352 8.298 ( 2.775 13.777 -2.913) 14.352 9.407 ( 0.207 -1.216 -0.158) 1.244 9.407 ( 0.207 1.216 -0.158) 1.244 9.577 ( -1.017 -2.019 -1.124) 2.525 9.577 ( -1.017 2.019 -1.124) 2.525 9.973 ( 0.311 -6.038 -3.998) 7.248 9.973 ( 0.311 6.038 -3.998) 7.248 10.194 ( 3.376 -1.911 -9.397) 10.166 10.194 ( 3.376 1.911 -9.397) 10.166 11.073 ( 3.525 -9.143 5.904) 11.441 11.073 ( 3.525 9.143 5.904) 11.441 11.881 ( 1.231 -5.831 -18.345) 19.289 11.881 ( 1.231 5.831 -18.345) 19.289 13.512 ( -0.317 -0.771 8.077) 8.120 13.512 ( -0.317 0.771 8.077) 8.120 14.006 ( 1.902 -1.590 -8.187) 8.554 14.006 ( 1.902 1.590 -8.187) 8.554 17.562 ( -2.100 -7.527 3.950) 8.756 17.562 ( -2.100 7.527 3.950) 8.756 18.184 ( 0.309 -1.967 -9.600) 9.805 18.184 ( 0.309 1.967 -9.600) 9.805 18.586 ( -1.440 -3.876 8.242) 9.221 18.586 ( -1.440 3.876 8.242) 9.221 18.955 ( -2.691 -0.967 -8.269) 8.749 18.955 ( -2.691 0.967 -8.269) 8.749 19.252 ( -3.212 -5.421 5.393) 8.294 19.252 ( -3.212 5.421 5.393) 8.294 19.830 ( -4.840 -3.024 -7.510) 9.432 19.830 ( -4.840 3.024 -7.510) 9.432 ======================= Grid point 225 (80/105) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 7.488 -5.515 20.177) 22.217 1.852 ( 7.488 5.515 20.177) 22.217 1.958 ( 7.470 -9.664 15.366) 19.629 1.958 ( 7.470 9.664 15.366) 19.629 2.661 ( -0.248 -2.965 -2.971) 4.205 2.661 ( -0.248 2.965 -2.971) 4.205 2.920 ( -2.106 -3.854 -0.307) 4.403 2.920 ( -2.106 3.854 -0.307) 4.403 2.996 ( 5.404 -3.810 3.249) 7.367 2.996 ( 5.404 3.810 3.249) 7.367 3.316 ( 9.447 -3.598 -5.930) 11.720 3.316 ( 9.447 3.598 -5.930) 11.720 3.367 ( 2.791 -7.150 -1.438) 7.809 3.367 ( 2.791 7.150 -1.438) 7.809 3.691 ( 6.108 -5.219 7.219) 10.801 3.691 ( 6.108 5.219 7.219) 10.801 4.124 ( 14.103 -6.048 -2.944) 15.625 4.124 ( 14.103 6.048 -2.944) 15.625 4.616 ( 4.718 -5.166 7.414) 10.194 4.616 ( 4.718 5.166 7.414) 10.194 5.125 ( -9.923 -5.000 0.879) 11.146 5.125 ( -9.923 5.000 0.879) 11.146 5.225 ( -9.801 -3.571 0.445) 10.440 5.225 ( -9.801 3.571 0.445) 10.440 7.170 ( -5.310 -12.734 21.330) 25.403 7.170 ( -5.310 12.734 21.330) 25.403 7.516 ( -2.543 -6.128 2.571) 7.115 7.516 ( -2.543 6.128 2.571) 7.115 7.914 ( 3.505 -6.292 -4.170) 8.323 7.914 ( 3.505 6.292 -4.170) 8.323 8.373 ( 3.908 -11.379 -4.587) 12.876 8.373 ( 3.908 11.379 -4.587) 12.876 9.413 ( 0.303 -1.358 -1.845) 2.310 9.413 ( 0.303 1.358 -1.845) 2.310 9.565 ( 0.070 -2.649 -2.017) 3.330 9.565 ( 0.070 2.649 -2.017) 3.330 9.992 ( 1.454 -5.677 -1.119) 5.966 9.992 ( 1.454 5.677 -1.119) 5.966 10.270 ( 3.604 -4.042 -7.606) 9.337 10.270 ( 3.604 4.042 -7.606) 9.337 11.185 ( 7.191 -10.431 4.737) 13.526 11.185 ( 7.191 10.431 4.737) 13.526 11.923 ( 2.984 -1.964 -15.657) 16.059 11.923 ( 2.984 1.964 -15.657) 16.059 13.502 ( -0.595 -0.903 8.815) 8.881 13.502 ( -0.595 0.903 8.815) 8.881 14.057 ( 2.784 -1.600 -9.584) 10.108 14.057 ( 2.784 1.600 -9.584) 10.108 17.504 ( -3.320 -8.650 4.829) 10.448 17.504 ( -3.320 8.650 4.829) 10.448 18.190 ( 0.135 -1.811 -10.887) 11.038 18.190 ( 0.135 1.811 -10.887) 11.038 18.542 ( -2.702 -3.190 10.289) 11.106 18.542 ( -2.702 3.190 10.289) 11.106 18.882 ( -4.051 -1.668 -3.798) 5.799 18.882 ( -4.051 1.668 -3.798) 5.799 19.165 ( -4.745 -5.499 2.322) 7.625 19.165 ( -4.745 5.499 2.322) 7.625 19.698 ( -7.496 -1.382 -8.455) 11.384 19.698 ( -7.496 1.382 -8.455) 11.384 ======================= Grid point 227 (81/105) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 7.185 -4.232 15.845) 17.905 2.011 ( 7.185 4.232 15.845) 17.905 2.083 ( 4.738 -9.171 12.410) 16.142 2.083 ( 4.738 9.171 12.410) 16.142 2.647 ( -1.148 -2.946 -6.730) 7.435 2.647 ( -1.148 2.946 -6.730) 7.435 2.860 ( -3.161 -4.315 3.542) 6.415 2.860 ( -3.161 4.315 3.542) 6.415 3.093 ( 3.278 -1.441 -0.518) 3.618 3.093 ( 3.278 1.441 -0.518) 3.618 3.390 ( 2.179 -7.433 2.196) 8.051 3.390 ( 2.179 7.433 2.196) 8.051 3.512 ( 6.142 -4.613 0.014) 7.681 3.512 ( 6.142 4.613 0.014) 7.681 3.844 ( 8.632 -2.335 -0.927) 8.990 3.844 ( 8.632 2.335 -0.927) 8.990 4.470 ( 16.915 -5.355 -2.604) 17.932 4.470 ( 16.915 5.355 -2.604) 17.932 4.741 ( 6.522 -2.317 3.671) 7.835 4.741 ( 6.522 2.317 3.671) 7.835 4.890 ( -12.393 -5.309 1.682) 13.587 4.890 ( -12.393 5.309 1.682) 13.587 5.013 ( -8.486 -2.884 0.274) 8.967 5.013 ( -8.486 2.884 0.274) 8.967 7.062 ( -4.870 -15.114 19.719) 25.317 7.062 ( -4.870 15.114 19.719) 25.317 7.442 ( -4.361 -6.919 0.970) 8.236 7.442 ( -4.361 6.919 0.970) 8.236 7.967 ( 1.583 -5.242 -1.187) 5.603 7.967 ( 1.583 5.242 -1.187) 5.603 8.443 ( 2.629 -8.925 -3.449) 9.923 8.443 ( 2.629 8.925 -3.449) 9.923 9.418 ( 0.107 -1.659 -3.174) 3.583 9.418 ( 0.107 1.659 -3.174) 3.583 9.579 ( 1.163 -2.561 -5.157) 5.874 9.579 ( 1.163 2.561 -5.157) 5.874 10.026 ( 1.523 -4.168 3.276) 5.515 10.026 ( 1.523 4.168 3.276) 5.515 10.335 ( 2.565 -4.980 -4.649) 7.279 10.335 ( 2.565 4.980 -4.649) 7.279 11.363 ( 9.532 -10.384 4.000) 14.652 11.363 ( 9.532 10.384 4.000) 14.652 12.006 ( 4.937 -2.854 -12.510) 13.748 12.006 ( 4.937 2.854 -12.510) 13.748 13.488 ( -0.747 -0.911 9.733) 9.804 13.488 ( -0.747 0.911 9.733) 9.804 14.114 ( 2.564 -1.298 -10.895) 11.268 14.114 ( 2.564 1.298 -10.895) 11.268 17.432 ( -3.494 -9.331 5.795) 11.526 17.432 ( -3.494 9.331 5.795) 11.526 18.186 ( -0.510 -1.856 -12.294) 12.444 18.186 ( -0.510 1.856 -12.294) 12.444 18.477 ( -3.392 -1.684 12.930) 13.473 18.477 ( -3.392 1.684 12.930) 13.473 18.798 ( -3.767 -3.185 0.318) 4.943 18.798 ( -3.767 3.185 0.318) 4.943 19.069 ( -4.272 -4.612 -1.793) 6.537 19.069 ( -4.272 4.612 -1.793) 6.537 19.535 ( -7.775 -1.942 -9.736) 12.610 19.535 ( -7.775 1.942 -9.736) 12.610 ======================= Grid point 229 (82/105) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 1.158 -6.319 8.253) 10.459 2.099 ( 1.158 6.319 8.253) 10.459 2.201 ( 6.785 -7.853 10.728) 14.926 2.201 ( 6.785 7.853 10.728) 14.926 2.614 ( -1.820 -2.511 -9.860) 10.336 2.614 ( -1.820 2.511 -9.860) 10.336 2.800 ( -2.663 -4.812 2.806) 6.174 2.800 ( -2.663 4.812 2.806) 6.174 3.116 ( -0.852 -5.614 2.895) 6.374 3.116 ( -0.852 5.614 2.895) 6.374 3.465 ( 4.816 -7.186 1.351) 8.755 3.465 ( 4.816 7.186 1.351) 8.755 3.599 ( 3.329 -6.562 3.205) 8.026 3.599 ( 3.329 6.562 3.205) 8.026 4.017 ( 7.299 -5.548 -0.833) 9.206 4.017 ( 7.299 5.548 -0.833) 9.206 4.557 ( -11.657 -5.108 -5.776) 13.976 4.557 ( -11.657 5.108 -5.776) 13.976 4.649 ( -9.455 -7.316 5.574) 13.191 4.649 ( -9.455 7.317 5.574) 13.191 4.917 ( 12.643 -2.685 -0.331) 12.929 4.917 ( 12.643 2.685 -0.331) 12.929 5.036 ( 9.134 -1.821 -2.179) 9.565 5.036 ( 9.134 1.821 -2.179) 9.565 6.976 ( -3.223 -16.552 16.719) 23.746 6.976 ( -3.223 16.552 16.719) 23.746 7.349 ( -4.288 -6.997 -0.590) 8.228 7.349 ( -4.288 6.997 -0.590) 8.228 7.982 ( -0.033 -4.506 1.558) 4.768 7.982 ( -0.033 4.506 1.558) 4.768 8.484 ( 1.433 -6.229 -1.366) 6.536 8.484 ( 1.433 6.229 -1.366) 6.536 9.416 ( -0.156 -1.880 -3.232) 3.742 9.416 ( -0.156 1.880 -3.232) 3.742 9.604 ( 1.017 -1.410 -9.872) 10.023 9.604 ( 1.017 1.410 -9.872) 10.023 10.050 ( 0.810 -2.197 7.757) 8.103 10.050 ( 0.810 2.197 7.757) 8.103 10.376 ( 1.424 -3.834 -1.580) 4.384 10.376 ( 1.424 3.834 -1.580) 4.384 11.558 ( 8.696 -8.309 4.923) 12.996 11.558 ( 8.696 8.309 4.923) 12.996 12.121 ( 5.710 -5.780 -9.658) 12.621 12.121 ( 5.710 5.780 -9.658) 12.621 13.473 ( -0.689 -0.773 10.518) 10.569 13.473 ( -0.689 0.773 10.518) 10.569 14.159 ( 1.775 -0.851 -11.751) 11.915 14.159 ( 1.775 0.851 -11.751) 11.915 17.364 ( -2.862 -9.326 6.543) 11.747 17.364 ( -2.862 9.326 6.543) 11.747 18.169 ( -1.115 -2.147 -12.940) 13.164 18.169 ( -1.115 2.147 -12.940) 13.164 18.408 ( -3.117 -1.783 14.481) 14.920 18.408 ( -3.117 1.783 14.481) 14.920 18.732 ( -2.465 -4.089 2.329) 5.312 18.732 ( -2.465 4.089 2.329) 5.312 18.995 ( -2.810 -3.125 -4.819) 6.394 18.995 ( -2.810 3.125 -4.819) 6.394 19.387 ( -6.194 -2.414 -10.777) 12.662 19.387 ( -6.194 2.414 -10.777) 12.662 ======================= Grid point 231 (83/105) ======================= q-point: ( 0.42 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.690 -7.861 5.020) 9.353 2.097 ( -0.690 7.861 5.020) 9.353 2.327 ( 4.663 -5.161 3.465) 7.771 2.327 ( 4.663 5.161 3.465) 7.771 2.590 ( 0.029 -4.726 -8.890) 10.068 2.590 ( 0.029 4.726 -8.890) 10.068 2.742 ( -3.113 -3.926 -1.433) 5.211 2.742 ( -3.113 3.926 -1.433) 5.211 3.083 ( -1.683 -7.309 9.008) 11.722 3.083 ( -1.683 7.309 9.008) 11.722 3.545 ( 2.118 -1.598 1.101) 2.872 3.545 ( 2.118 1.598 1.101) 2.872 3.699 ( 6.827 -2.343 3.061) 7.840 3.699 ( 6.827 2.343 3.061) 7.840 4.136 ( 3.711 -4.672 1.234) 6.093 4.136 ( 3.711 4.672 1.234) 6.093 4.284 ( -11.781 -5.577 -1.196) 13.089 4.284 ( -11.781 5.577 -1.196) 13.089 4.467 ( -7.464 -6.388 0.544) 9.839 4.467 ( -7.464 6.388 0.544) 9.839 5.129 ( 6.824 -1.173 -0.542) 6.946 5.129 ( 6.824 1.173 -0.542) 6.946 5.239 ( 8.282 -0.909 -6.062) 10.304 5.239 ( 8.282 0.909 -6.062) 10.304 6.930 ( -1.288 -16.897 13.844) 21.882 6.930 ( -1.288 16.897 13.844) 21.882 7.275 ( -2.588 -6.851 -1.491) 7.473 7.275 ( -2.588 6.851 -1.490) 7.473 7.974 ( -0.561 -3.999 3.674) 5.459 7.974 ( -0.561 3.999 3.674) 5.459 8.506 ( 0.711 -3.199 -0.131) 3.280 8.506 ( 0.711 3.199 -0.131) 3.280 9.414 ( -0.025 -1.614 -2.970) 3.380 9.414 ( -0.025 1.614 -2.970) 3.380 9.616 ( 0.128 -0.312 -13.247) 13.251 9.616 ( 0.128 0.312 -13.247) 13.251 10.062 ( 0.420 -1.826 10.650) 10.814 10.062 ( 0.420 1.826 10.650) 10.814 10.396 ( 0.520 -2.402 0.491) 2.506 10.396 ( 0.520 2.402 0.491) 2.506 11.705 ( 5.057 -4.585 6.684) 9.554 11.705 ( 5.057 4.585 6.684) 9.554 12.225 ( 3.904 -6.233 -7.570) 10.554 12.225 ( 3.904 6.233 -7.570) 10.554 13.461 ( -0.413 -0.535 10.975) 10.996 13.461 ( -0.413 0.535 10.975) 10.996 14.187 ( 0.872 -0.461 -12.188) 12.228 14.187 ( 0.872 0.461 -12.188) 12.228 17.317 ( -1.629 -8.929 6.966) 11.441 17.317 ( -1.629 8.929 6.966) 11.441 18.145 ( -0.974 -2.085 -12.732) 12.938 18.145 ( -0.974 2.085 -12.732) 12.938 18.355 ( -1.847 -3.252 14.570) 15.042 18.355 ( -1.847 3.252 14.570) 15.042 18.696 ( -1.074 -4.063 2.738) 5.016 18.696 ( -1.074 4.063 2.738) 5.016 18.952 ( -1.314 -1.931 -6.143) 6.572 18.952 ( -1.314 1.931 -6.143) 6.572 19.286 ( -3.376 -2.226 -11.383) 12.080 19.286 ( -3.376 2.226 -11.383) 12.080 ======================= Grid point 233 (84/105) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.000 -8.083 4.049) 9.040 2.087 ( 0.000 8.083 4.049) 9.040 2.376 ( 0.000 -1.179 -2.878) 3.110 2.376 ( 0.000 1.179 -2.878) 3.110 2.608 ( 0.000 -10.911 -3.543) 11.472 2.608 ( -0.000 10.911 -3.543) 11.472 2.691 ( 0.000 -1.913 -5.672) 5.986 2.691 ( -0.000 1.913 -5.672) 5.986 3.063 ( 0.000 -7.539 11.899) 14.086 3.063 ( 0.000 7.539 11.899) 14.086 3.564 ( 0.000 -1.868 2.167) 2.861 3.564 ( 0.000 1.868 2.167) 2.861 3.813 ( 0.000 -1.113 1.664) 2.002 3.813 ( -0.000 1.113 1.664) 2.002 4.087 ( 0.000 -2.264 -1.690) 2.825 4.087 ( 0.000 2.264 -1.690) 2.825 4.221 ( 0.000 -9.883 7.120) 12.181 4.221 ( 0.000 9.883 7.120) 12.181 4.374 ( 0.000 -5.588 -3.976) 6.858 4.374 ( 0.000 5.588 -3.976) 6.858 5.200 ( 0.000 -0.830 -0.929) 1.246 5.200 ( 0.000 0.830 -0.929) 1.246 5.329 ( 0.000 -0.285 -7.054) 7.060 5.329 ( 0.000 0.285 -7.054) 7.060 6.917 ( 0.000 -16.854 12.629) 21.060 6.917 ( 0.000 16.854 12.629) 21.060 7.247 ( 0.000 -6.692 -1.731) 6.912 7.247 ( 0.000 6.692 -1.731) 6.912 7.966 ( 0.000 -3.676 4.508) 5.816 7.966 ( 0.000 3.676 4.508) 5.816 8.513 ( 0.000 -0.135 0.223) 0.261 8.513 ( 0.000 0.135 0.223) 0.261 9.414 ( 0.000 -1.297 -2.870) 3.150 9.414 ( -0.000 1.297 -2.870) 3.150 9.615 ( 0.000 -0.014 -14.232) 14.232 9.615 ( 0.000 0.014 -14.232) 14.232 10.067 ( 0.000 -1.638 11.451) 11.568 10.067 ( 0.000 1.638 11.451) 11.568 10.401 ( 0.000 -1.906 1.204) 2.254 10.401 ( 0.000 1.906 1.204) 2.254 11.759 ( 0.000 -0.555 7.522) 7.543 11.759 ( 0.000 0.555 7.522) 7.543 12.268 ( 0.000 -5.867 -6.770) 8.959 12.268 ( 0.000 5.867 -6.770) 8.959 13.456 ( 0.000 -0.369 11.109) 11.115 13.456 ( 0.000 0.369 11.109) 11.115 14.196 ( 0.000 -0.273 -12.319) 12.322 14.196 ( 0.000 0.273 -12.319) 12.322 17.300 ( 0.000 -8.699 7.092) 11.223 17.300 ( 0.000 8.699 7.092) 11.223 18.134 ( 0.000 -1.867 -12.496) 12.634 18.134 ( 0.000 1.867 -12.496) 12.634 18.335 ( 0.000 -3.752 14.374) 14.856 18.335 ( 0.000 3.752 14.374) 14.856 18.685 ( 0.000 -3.909 2.699) 4.750 18.685 ( 0.000 3.909 2.699) 4.750 18.939 ( 0.000 -1.490 -6.442) 6.612 18.939 ( 0.000 1.490 -6.442) 6.612 19.251 ( 0.000 -2.026 -11.579) 11.755 19.251 ( 0.000 2.026 -11.579) 11.755 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 1.952 ( 0.000 0.000 25.882) 25.882 1.963 ( 0.000 0.000 18.620) 18.620 2.220 ( 0.000 0.000 -5.145) 5.145 2.439 ( 0.000 0.000 -23.812) 23.812 2.506 ( 0.000 0.000 15.552) 15.552 2.620 ( 0.000 0.000 11.715) 11.715 2.679 ( 0.000 0.000 10.291) 10.291 2.713 ( 0.000 0.000 -3.404) 3.404 2.746 ( 0.000 0.000 -5.197) 5.197 2.792 ( 0.000 0.000 -4.161) 4.161 2.865 ( 0.000 0.000 -9.575) 9.575 2.889 ( 0.000 0.000 -8.266) 8.266 3.391 ( 0.000 0.000 4.643) 4.643 3.485 ( 0.000 0.000 2.980) 2.980 3.574 ( 0.000 0.000 -13.318) 13.318 3.632 ( 0.000 0.000 -10.988) 10.988 3.996 ( 0.000 0.000 35.998) 35.998 4.442 ( 0.000 0.000 14.314) 14.314 4.520 ( 0.000 0.000 7.248) 7.248 4.572 ( 0.000 0.000 -20.525) 20.525 5.123 ( 0.000 0.000 4.951) 4.951 5.213 ( 0.000 0.000 -2.321) 2.321 5.475 ( 0.000 0.000 -0.923) 0.923 5.515 ( 0.000 0.000 -5.305) 5.305 7.475 ( 0.000 0.000 15.156) 15.156 7.507 ( 0.000 0.000 1.042) 1.042 7.511 ( 0.000 0.000 5.271) 5.271 7.548 ( 0.000 0.000 -3.450) 3.450 7.747 ( 0.000 0.000 -5.925) 5.925 7.820 ( 0.000 0.000 -7.802) 7.802 8.237 ( 0.000 0.000 22.480) 22.480 8.595 ( 0.000 0.000 -11.661) 11.661 9.423 ( 0.000 0.000 1.244) 1.244 9.501 ( 0.000 0.000 0.458) 0.458 9.512 ( 0.000 0.000 -1.342) 1.342 9.514 ( 0.000 0.000 -4.812) 4.812 9.840 ( 0.000 0.000 3.010) 3.010 9.933 ( 0.000 0.000 -7.645) 7.645 9.986 ( 0.000 0.000 -3.260) 3.260 9.990 ( 0.000 0.000 -3.680) 3.680 11.010 ( 0.000 0.000 15.822) 15.822 11.345 ( 0.000 0.000 -18.075) 18.075 11.377 ( 0.000 0.000 12.954) 12.954 11.675 ( 0.000 0.000 -17.265) 17.265 13.648 ( 0.000 0.000 7.896) 7.896 13.698 ( 0.000 0.000 8.520) 8.520 13.803 ( 0.000 0.000 -7.860) 7.860 13.864 ( 0.000 0.000 -8.387) 8.387 17.565 ( 0.000 0.000 10.499) 10.499 17.816 ( 0.000 0.000 -14.446) 14.446 17.882 ( 0.000 0.000 9.076) 9.076 18.075 ( 0.000 0.000 -9.236) 9.236 18.701 ( 0.000 0.000 -0.052) 0.052 18.749 ( 0.000 0.000 7.319) 7.319 18.752 ( 0.000 0.000 -6.118) 6.118 18.872 ( 0.000 0.000 -6.203) 6.203 19.296 ( 0.000 0.000 11.002) 11.002 19.551 ( 0.000 0.000 -13.242) 13.242 19.665 ( 0.000 0.000 9.576) 9.576 19.833 ( 0.000 0.000 -7.629) 7.629 ======================= Grid point 261 (86/105) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 2.495 0.000 17.477) 17.654 2.035 ( 6.922 0.000 24.277) 25.245 2.211 ( -0.869 0.000 -1.707) 1.916 2.463 ( 0.662 0.000 -14.531) 14.546 2.559 ( 4.342 0.000 12.265) 13.011 2.635 ( 2.112 0.000 3.116) 3.764 2.719 ( 0.489 0.000 -4.499) 4.526 2.724 ( 3.537 0.000 5.440) 6.489 2.797 ( 4.460 0.000 -7.560) 8.778 2.890 ( 3.129 0.000 -10.402) 10.862 2.892 ( 10.231 0.000 3.520) 10.820 2.999 ( 9.601 0.000 -4.998) 10.824 3.415 ( 2.498 0.000 5.185) 5.756 3.491 ( 0.891 0.000 1.697) 1.916 3.579 ( 0.427 0.000 -10.036) 10.045 3.640 ( 0.656 0.000 -12.268) 12.285 4.037 ( 4.411 0.000 32.065) 32.367 4.449 ( 0.792 0.000 14.495) 14.517 4.540 ( 1.814 0.000 3.688) 4.110 4.579 ( 0.990 0.000 -17.847) 17.874 5.080 ( -4.090 0.000 4.904) 6.386 5.157 ( -5.098 0.000 -1.703) 5.375 5.438 ( -3.783 0.000 -1.457) 4.054 5.458 ( -5.441 0.000 -4.255) 6.907 7.417 ( -5.378 0.000 12.241) 13.370 7.446 ( -3.908 0.000 2.119) 4.445 7.522 ( 1.317 0.000 4.455) 4.646 7.631 ( 4.906 0.000 -2.564) 5.535 7.793 ( 3.895 0.000 -2.977) 4.902 7.853 ( 3.364 0.000 -7.500) 8.220 8.251 ( 1.279 0.000 20.253) 20.294 8.582 ( -1.341 0.000 -10.585) 10.669 9.415 ( -0.741 0.000 -0.319) 0.807 9.463 ( -3.271 0.000 -2.946) 4.402 9.474 ( -2.042 0.000 0.987) 2.268 9.531 ( 0.653 0.000 -4.798) 4.842 9.861 ( 2.430 0.000 5.038) 5.594 9.985 ( 4.560 0.000 -5.934) 7.483 10.015 ( 2.803 0.000 -4.688) 5.462 10.030 ( 3.221 0.000 -3.679) 4.889 11.041 ( 3.042 0.000 16.459) 16.738 11.351 ( 1.536 0.000 -5.431) 5.644 11.446 ( 5.663 0.000 -1.152) 5.779 11.686 ( 1.094 0.000 -15.923) 15.961 13.651 ( 0.279 0.000 8.360) 8.364 13.701 ( 0.201 0.000 8.749) 8.752 13.815 ( 1.085 0.000 -8.252) 8.323 13.873 ( 0.790 0.000 -8.849) 8.884 17.543 ( -2.070 0.000 11.149) 11.340 17.807 ( -0.855 0.000 -15.110) 15.134 17.885 ( 0.193 0.000 8.671) 8.674 18.068 ( -0.599 0.000 -8.806) 8.826 18.697 ( -0.396 0.000 0.188) 0.438 18.726 ( -1.196 0.000 2.011) 2.340 18.767 ( 0.513 0.000 -0.558) 0.758 18.861 ( -0.976 0.000 -5.726) 5.809 19.251 ( -4.178 0.000 11.395) 12.137 19.497 ( -5.066 0.000 -9.775) 11.010 19.626 ( -3.558 0.000 4.685) 5.883 19.757 ( -7.071 0.000 -6.595) 9.669 ======================= Grid point 262 (87/105) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.029 0.000 14.287) 14.605 2.165 ( 1.933 0.000 14.946) 15.071 2.202 ( 2.530 0.000 7.198) 7.629 2.446 ( -1.906 0.000 -3.090) 3.630 2.627 ( 0.763 0.000 4.206) 4.274 2.653 ( -0.633 0.000 -3.690) 3.744 2.759 ( 4.270 0.000 -1.815) 4.640 2.836 ( 5.987 0.000 1.317) 6.131 2.917 ( 6.270 0.000 -9.493) 11.377 2.971 ( 4.026 0.000 -8.229) 9.161 3.164 ( 13.844 0.000 10.360) 17.291 3.254 ( 13.213 0.000 2.155) 13.388 3.491 ( 4.543 0.000 4.136) 6.144 3.555 ( 6.307 0.000 -3.286) 7.112 3.588 ( 0.276 0.000 -6.997) 7.003 3.664 ( 2.292 0.000 -10.094) 10.351 4.203 ( 11.792 0.000 19.735) 22.990 4.484 ( 2.842 0.000 14.162) 14.444 4.580 ( 1.932 0.000 -9.847) 10.034 4.634 ( 4.608 0.000 -4.956) 6.767 4.962 ( -6.826 0.000 4.321) 8.079 5.014 ( -8.425 0.000 -0.956) 8.479 5.296 ( -9.786 0.000 -1.870) 9.963 5.312 ( -8.290 0.000 -1.796) 8.482 7.268 ( -8.434 0.000 11.633) 14.369 7.345 ( -5.888 0.000 -0.464) 5.907 7.548 ( 0.678 0.000 7.008) 7.041 7.711 ( 2.099 0.000 -6.001) 6.358 7.879 ( 3.901 0.000 3.095) 4.980 7.957 ( 6.307 0.000 -6.124) 8.791 8.284 ( 1.665 0.000 14.900) 14.992 8.541 ( -2.513 0.000 -7.847) 8.240 9.394 ( -0.973 0.000 -4.049) 4.164 9.395 ( -2.867 0.000 -3.002) 4.151 9.443 ( -0.807 0.000 2.576) 2.699 9.542 ( 0.191 0.000 -6.617) 6.620 9.950 ( 6.071 0.000 7.934) 9.990 10.071 ( 3.856 0.000 0.020) 3.856 10.099 ( 3.091 0.000 -2.254) 3.825 10.131 ( 7.632 0.000 -10.679) 13.125 11.140 ( 6.576 0.000 17.296) 18.504 11.418 ( 4.929 0.000 -2.869) 5.703 11.598 ( 8.668 0.000 -7.335) 11.355 11.724 ( 2.573 0.000 -12.025) 12.298 13.659 ( 0.453 0.000 9.505) 9.516 13.705 ( 0.185 0.000 9.406) 9.407 13.845 ( 1.712 0.000 -9.298) 9.455 13.894 ( 1.141 0.000 -9.960) 10.025 17.486 ( -3.209 0.000 12.415) 12.823 17.781 ( -1.727 0.000 -16.719) 16.808 17.889 ( 0.221 0.000 8.056) 8.059 18.053 ( -0.768 0.000 -7.508) 7.547 18.683 ( -0.961 0.000 1.074) 1.441 18.703 ( -0.954 0.000 2.698) 2.862 18.771 ( -0.233 0.000 -0.695) 0.733 18.833 ( -1.651 0.000 -4.600) 4.887 19.131 ( -7.058 0.000 11.856) 13.798 19.352 ( -8.446 0.000 -5.522) 10.090 19.525 ( -5.977 0.000 -3.220) 6.790 19.562 ( -11.011 0.000 -4.348) 11.838 ======================= Grid point 263 (88/105) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 2.355 0.000 9.872) 10.149 2.140 ( -2.081 0.000 8.269) 8.527 2.269 ( 1.655 0.000 10.278) 10.411 2.397 ( -2.665 0.000 -1.191) 2.919 2.600 ( -2.655 0.000 -2.184) 3.438 2.615 ( -2.937 0.000 -4.920) 5.730 2.868 ( 5.030 0.000 0.771) 5.089 2.939 ( 3.131 0.000 -4.873) 5.792 3.032 ( 5.345 0.000 -0.470) 5.366 3.040 ( 2.439 0.000 -1.759) 3.006 3.375 ( 6.007 0.000 10.961) 12.500 3.462 ( 5.807 0.000 11.278) 12.685 3.594 ( 0.759 0.000 -7.260) 7.299 3.651 ( 10.588 0.000 4.042) 11.333 3.716 ( 7.562 0.000 -11.961) 14.151 3.770 ( 7.672 0.000 -6.422) 10.005 4.498 ( 13.797 0.000 4.573) 14.535 4.580 ( 7.518 0.000 13.298) 15.276 4.607 ( -0.881 0.000 -4.066) 4.160 4.763 ( 6.104 0.000 -3.033) 6.817 4.811 ( -11.093 0.000 -1.343) 11.174 4.823 ( -4.583 0.000 -3.142) 5.557 5.088 ( -8.203 0.000 1.494) 8.338 5.119 ( -8.857 0.000 -0.078) 8.858 7.091 ( -8.060 0.000 11.658) 14.173 7.212 ( -6.532 0.000 -3.290) 7.314 7.534 ( -2.208 0.000 7.410) 7.732 7.707 ( -2.437 0.000 -8.239) 8.592 7.949 ( 3.052 0.000 9.541) 10.018 8.096 ( 6.686 0.000 -5.850) 8.884 8.309 ( 0.499 0.000 10.388) 10.400 8.484 ( -2.725 0.000 -4.941) 5.642 9.353 ( -1.143 0.000 -2.612) 2.851 9.387 ( 0.277 0.000 -6.506) 6.511 9.428 ( -0.918 0.000 2.003) 2.203 9.532 ( -1.247 0.000 -7.289) 7.395 10.089 ( 6.089 0.000 9.247) 11.072 10.156 ( 4.236 0.000 0.010) 4.236 10.161 ( 3.427 0.000 1.230) 3.641 10.287 ( 6.615 0.000 -9.667) 11.714 11.319 ( 10.603 0.000 16.197) 19.359 11.557 ( 8.408 0.000 -3.595) 9.144 11.794 ( 4.129 0.000 -6.159) 7.415 11.795 ( 9.933 0.000 -10.391) 14.375 13.668 ( 0.450 0.000 10.837) 10.846 13.707 ( -0.033 0.000 10.333) 10.333 13.881 ( 1.704 0.000 -10.638) 10.774 13.917 ( 1.010 0.000 -11.224) 11.269 17.417 ( -3.298 0.000 13.378) 13.779 17.738 ( -2.308 0.000 -18.338) 18.483 17.894 ( 0.211 0.000 7.887) 7.890 18.038 ( -0.782 0.000 -5.360) 5.417 18.653 ( -2.013 0.000 2.812) 3.458 18.687 ( -0.610 0.000 3.124) 3.183 18.755 ( -1.433 0.000 -0.012) 1.433 18.797 ( -1.747 0.000 -3.521) 3.931 18.977 ( -7.132 0.000 9.957) 12.248 19.168 ( -8.693 0.000 -5.312) 10.187 19.327 ( -11.005 0.000 -1.912) 11.170 19.389 ( -6.819 0.000 -7.852) 10.399 ======================= Grid point 264 (89/105) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -2.514 0.000 9.929) 10.243 2.150 ( 1.633 0.000 4.957) 5.219 2.265 ( -1.806 0.000 5.013) 5.329 2.338 ( -2.980 0.000 -2.648) 3.986 2.534 ( -4.639 0.000 -6.107) 7.669 2.535 ( -3.193 0.000 -4.652) 5.642 2.942 ( 1.886 0.000 -0.254) 1.903 2.960 ( -0.434 0.000 -1.637) 1.693 3.075 ( 1.052 0.000 5.395) 5.496 3.154 ( 6.026 0.000 -2.054) 6.367 3.475 ( 4.610 0.000 8.976) 10.091 3.536 ( 2.454 0.000 11.650) 11.906 3.638 ( 3.877 0.000 -5.847) 7.015 3.799 ( 2.744 0.000 -10.112) 10.477 3.883 ( 8.355 0.000 -0.144) 8.357 3.927 ( 6.603 0.000 1.599) 6.794 4.498 ( -8.448 0.000 4.710) 9.672 4.548 ( -13.623 0.000 -3.014) 13.952 4.592 ( -2.757 0.000 -0.186) 2.763 4.640 ( -9.792 0.000 -7.155) 12.127 4.862 ( 14.406 0.000 4.837) 15.196 4.971 ( 9.734 0.000 -4.079) 10.554 5.033 ( 2.065 0.000 2.680) 3.384 5.055 ( 4.357 0.000 0.511) 4.387 6.949 ( -5.417 0.000 11.337) 12.565 7.092 ( -4.639 0.000 -5.164) 6.941 7.462 ( -4.245 0.000 6.391) 7.672 7.623 ( -5.092 0.000 -8.954) 10.301 8.015 ( 3.434 0.000 13.430) 13.862 8.225 ( 5.535 0.000 -6.561) 8.584 8.300 ( -1.373 0.000 9.448) 9.547 8.434 ( -1.944 0.000 -3.166) 3.715 9.345 ( 0.257 0.000 -2.568) 2.581 9.395 ( -0.164 0.000 -8.185) 8.186 9.404 ( -0.935 0.000 0.547) 1.083 9.493 ( -2.351 0.000 -7.259) 7.630 10.169 ( 2.459 0.000 6.994) 7.414 10.240 ( 3.645 0.000 -0.916) 3.759 10.253 ( 4.282 0.000 6.971) 8.181 10.387 ( 2.954 0.000 -5.986) 6.676 11.563 ( 12.140 0.000 13.187) 17.924 11.753 ( 9.835 0.000 -4.493) 10.813 11.886 ( 4.406 0.000 0.385) 4.423 11.994 ( 8.800 0.000 -11.534) 14.508 13.676 ( 0.316 0.000 11.930) 11.934 13.704 ( -0.264 0.000 11.284) 11.287 13.912 ( 1.239 0.000 -11.869) 11.933 13.934 ( 0.637 0.000 -12.301) 12.317 17.354 ( -2.605 0.000 13.757) 14.002 17.689 ( -2.202 0.000 -19.345) 19.470 17.898 ( 0.161 0.000 8.078) 8.080 18.018 ( -1.208 0.000 -2.103) 2.426 18.597 ( -3.289 0.000 4.433) 5.520 18.675 ( -0.907 0.000 1.698) 1.925 18.705 ( -2.962 0.000 4.510) 5.396 18.765 ( -1.247 0.000 -2.769) 3.037 18.865 ( -3.259 0.000 2.556) 4.142 19.012 ( -5.933 0.000 -6.861) 9.071 19.123 ( -8.361 0.000 0.765) 8.396 19.254 ( -5.890 0.000 -9.564) 11.232 ======================= Grid point 265 (90/105) ======================= q-point: ( 0.42 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -1.657 0.000 10.977) 11.101 2.182 ( 1.571 0.000 -0.302) 1.600 2.206 ( -3.261 0.000 1.467) 3.575 2.275 ( -2.934 0.000 -4.616) 5.470 2.440 ( -3.849 0.000 -5.979) 7.110 2.483 ( -1.602 0.000 -6.408) 6.606 2.943 ( -0.913 0.000 0.971) 1.333 2.954 ( -0.225 0.000 -0.340) 0.407 3.088 ( 0.334 0.000 9.570) 9.576 3.263 ( 4.008 0.000 -7.350) 8.372 3.573 ( 4.399 0.000 9.950) 10.879 3.574 ( 1.193 0.000 9.347) 9.423 3.764 ( 8.082 0.000 -3.033) 8.632 3.829 ( 1.224 0.000 -9.794) 9.870 4.001 ( 1.961 0.000 4.259) 4.688 4.041 ( 4.423 0.000 8.308) 9.412 4.254 ( -13.702 0.000 -4.432) 14.401 4.327 ( -5.782 0.000 -1.298) 5.926 4.454 ( -7.592 0.000 -3.328) 8.289 4.486 ( -5.632 0.000 -1.581) 5.850 5.089 ( 6.718 0.000 1.211) 6.827 5.143 ( 6.063 0.000 -3.035) 6.781 5.144 ( 6.328 0.000 0.471) 6.346 5.168 ( 4.905 0.000 -1.213) 5.053 6.869 ( -2.334 0.000 11.106) 11.348 7.026 ( -1.803 0.000 -6.232) 6.487 7.379 ( -3.269 0.000 5.187) 6.132 7.520 ( -4.172 0.000 -8.831) 9.767 8.092 ( 3.854 0.000 13.825) 14.352 8.255 ( -2.826 0.000 11.650) 11.988 8.320 ( 3.355 0.000 -7.321) 8.053 8.405 ( -0.924 0.000 -2.432) 2.601 9.360 ( 1.159 0.000 -3.355) 3.550 9.368 ( -1.368 0.000 -3.696) 3.941 9.403 ( 0.022 0.000 -5.823) 5.823 9.441 ( -2.465 0.000 -6.989) 7.411 10.214 ( 1.786 0.000 7.589) 7.796 10.304 ( 2.412 0.000 -1.563) 2.874 10.313 ( 1.490 0.000 7.681) 7.825 10.418 ( 0.279 0.000 -2.857) 2.870 11.788 ( 8.717 0.000 9.869) 13.168 11.934 ( 6.763 0.000 -4.968) 8.392 11.959 ( 2.210 0.000 6.428) 6.797 12.143 ( 5.155 0.000 -11.413) 12.523 13.682 ( 0.183 0.000 12.542) 12.543 13.697 ( -0.306 0.000 12.049) 12.053 13.932 ( 0.624 0.000 -12.748) 12.763 13.943 ( 0.264 0.000 -12.989) 12.991 17.312 ( -1.420 0.000 13.737) 13.811 17.651 ( -1.343 0.000 -19.789) 19.835 17.900 ( 0.044 0.000 8.218) 8.219 17.989 ( -1.327 0.000 1.654) 2.121 18.530 ( -2.710 0.000 4.543) 5.290 18.632 ( -2.049 0.000 -1.256) 2.403 18.676 ( -0.469 0.000 6.923) 6.939 18.745 ( -0.635 0.000 -2.126) 2.219 18.828 ( -0.870 0.000 -3.483) 3.590 18.925 ( -2.544 0.000 -7.471) 7.893 18.988 ( -4.437 0.000 3.761) 5.817 19.155 ( -3.395 0.000 -9.833) 10.403 ======================= Grid point 266 (91/105) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.000 0.000 11.363) 11.363 2.165 ( 0.000 0.000 0.203) 0.203 2.217 ( -0.000 0.000 -5.196) 5.196 2.224 ( 0.000 0.000 -3.582) 3.582 2.397 ( -0.000 0.000 -5.062) 5.062 2.468 ( 0.000 0.000 -7.248) 7.248 2.932 ( 0.000 0.000 1.604) 1.604 2.949 ( 0.000 0.000 -0.025) 0.025 3.091 ( 0.000 0.000 10.791) 10.791 3.307 ( 0.000 0.000 -10.262) 10.262 3.586 ( 0.000 0.000 8.406) 8.406 3.625 ( -0.000 0.000 9.125) 9.125 3.862 ( 0.000 0.000 0.996) 0.996 3.926 ( 0.000 0.000 2.022) 2.022 3.980 ( 0.000 0.000 -3.464) 3.464 4.031 ( 0.000 0.000 -4.670) 4.670 4.097 ( 0.000 0.000 7.647) 7.647 4.308 ( 0.000 0.000 7.132) 7.132 4.342 ( 0.000 0.000 -11.687) 11.687 4.416 ( 0.000 0.000 -3.102) 3.102 5.156 ( 0.000 0.000 0.313) 0.313 5.206 ( 0.000 0.000 -3.434) 3.434 5.219 ( 0.000 0.000 -0.772) 0.772 5.224 ( 0.000 0.000 -0.837) 0.837 6.846 ( 0.000 0.000 11.094) 11.094 7.009 ( -0.000 0.000 -6.635) 6.635 7.343 ( 0.000 0.000 4.608) 4.608 7.473 ( 0.000 0.000 -8.611) 8.611 8.156 ( 0.000 0.000 10.058) 10.058 8.203 ( -0.000 0.000 16.487) 16.487 8.356 ( 0.000 0.000 -7.862) 7.862 8.395 ( 0.000 0.000 -2.022) 2.022 9.352 ( 0.000 0.000 -4.436) 4.436 9.387 ( -0.000 0.000 -2.352) 2.352 9.401 ( 0.000 0.000 -8.390) 8.390 9.403 ( 0.000 0.000 -5.599) 5.599 10.235 ( 0.000 0.000 7.874) 7.874 10.325 ( 0.000 0.000 7.560) 7.560 10.332 ( 0.000 0.000 -1.794) 1.794 10.416 ( 0.000 0.000 -1.686) 1.686 11.890 ( 0.000 0.000 6.457) 6.457 11.976 ( -0.000 0.000 10.959) 10.959 12.008 ( 0.000 0.000 -5.197) 5.197 12.198 ( 0.000 0.000 -11.105) 11.105 13.684 ( 0.000 0.000 12.670) 12.670 13.693 ( 0.000 0.000 12.405) 12.405 13.938 ( 0.000 0.000 -13.111) 13.111 13.946 ( 0.000 0.000 -13.185) 13.185 17.297 ( 0.000 0.000 13.672) 13.672 17.637 ( 0.000 0.000 -19.905) 19.905 17.900 ( 0.000 0.000 8.216) 8.216 17.973 ( 0.000 0.000 3.360) 3.360 18.500 ( 0.000 0.000 4.313) 4.313 18.611 ( 0.000 0.000 -2.899) 2.899 18.671 ( -0.000 0.000 7.142) 7.142 18.739 ( 0.000 0.000 -1.867) 1.867 18.819 ( 0.000 0.000 -5.634) 5.634 18.900 ( 0.000 0.000 -7.465) 7.465 18.942 ( 0.000 0.000 5.524) 5.524 19.119 ( 0.000 0.000 -9.766) 9.766 ======================= Grid point 273 (92/105) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 1.770 22.692) 22.761 1.969 ( 0.000 1.395 16.969) 17.026 2.136 ( 0.000 -6.271 2.662) 6.812 2.255 ( 0.000 -11.964 4.334) 12.725 2.555 ( 0.000 2.989 -5.772) 6.500 2.678 ( 0.000 -2.807 -2.013) 3.454 2.693 ( 0.000 -2.256 -8.699) 8.987 2.716 ( 0.000 4.500 -1.906) 4.887 2.777 ( 0.000 1.032 0.265) 1.065 2.813 ( 0.000 7.427 5.123) 9.023 2.905 ( 0.000 3.245 -8.071) 8.699 2.929 ( 0.000 2.417 -5.774) 6.260 3.367 ( 0.000 -1.762 6.738) 6.964 3.440 ( 0.000 -3.934 4.872) 6.262 3.571 ( 0.000 -0.357 -13.033) 13.038 3.601 ( 0.000 -2.639 -10.177) 10.514 4.049 ( 0.000 5.250 32.129) 32.555 4.337 ( 0.000 -7.902 19.875) 21.388 4.554 ( 0.000 1.074 -0.227) 1.098 4.559 ( 0.000 -0.779 -17.074) 17.092 5.203 ( 0.000 7.127 3.807) 8.080 5.286 ( 0.000 6.586 -2.805) 7.159 5.441 ( 0.000 -3.362 0.089) 3.364 5.498 ( 0.000 -2.226 -4.558) 5.072 7.509 ( 0.000 1.714 9.523) 9.676 7.509 ( 0.000 0.365 2.186) 2.216 7.569 ( 0.000 2.090 -4.207) 4.698 7.579 ( 0.000 6.979 7.721) 10.408 7.718 ( 0.000 -1.345 -0.844) 1.588 7.904 ( 0.000 8.762 -9.822) 13.163 8.112 ( 0.000 -11.847 21.195) 24.282 8.453 ( 0.000 -13.493 -11.847) 17.956 9.416 ( 0.000 0.339 3.907) 3.922 9.476 ( 0.000 -1.803 1.771) 2.527 9.524 ( 0.000 0.555 -2.737) 2.793 9.532 ( 0.000 0.669 -6.006) 6.043 9.872 ( 0.000 2.917 2.217) 3.664 9.956 ( 0.000 1.909 -7.124) 7.375 9.967 ( 0.000 -1.433 -1.804) 2.304 9.997 ( 0.000 0.081 -4.660) 4.661 11.081 ( 0.000 6.661 14.260) 15.739 11.337 ( 0.000 -4.108 12.576) 13.230 11.394 ( 0.000 4.885 -17.376) 18.050 11.629 ( 0.000 -4.620 -16.970) 17.587 13.655 ( 0.000 0.705 7.960) 7.991 13.691 ( 0.000 -0.754 8.402) 8.436 13.811 ( 0.000 0.803 -7.889) 7.930 13.854 ( 0.000 -0.965 -8.261) 8.317 17.611 ( 0.000 4.483 10.403) 11.328 17.834 ( 0.000 -4.701 9.415) 10.523 17.858 ( 0.000 4.049 -14.097) 14.667 18.042 ( 0.000 -3.383 -10.584) 11.111 18.699 ( 0.000 0.136 1.731) 1.736 18.736 ( 0.000 -1.199 6.605) 6.713 18.774 ( 0.000 1.949 -6.485) 6.772 18.855 ( 0.000 -1.601 -6.437) 6.633 19.347 ( 0.000 5.064 11.366) 12.443 19.596 ( 0.000 4.402 -12.640) 13.384 19.606 ( 0.000 -5.674 10.465) 11.904 19.797 ( 0.000 -3.744 -8.836) 9.596 ======================= Grid point 274 (93/105) ======================= q-point: ( 0.08 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 3.515 2.412 16.162) 16.715 2.056 ( 6.970 1.574 21.864) 23.002 2.156 ( 1.829 -3.843 3.885) 5.762 2.335 ( 6.398 -12.532 6.275) 15.406 2.534 ( -1.544 4.064 -4.746) 6.436 2.662 ( -1.240 -2.176 -2.785) 3.746 2.709 ( 0.995 -0.938 -6.804) 6.940 2.759 ( 2.710 -1.963 -9.287) 9.871 2.851 ( 6.343 8.265 1.248) 10.493 2.907 ( 9.052 2.873 3.526) 10.130 2.955 ( 4.842 3.947 -5.030) 8.020 3.016 ( 8.442 1.032 -4.704) 9.719 3.379 ( 1.475 -2.562 7.562) 8.119 3.445 ( 0.758 -4.088 3.894) 5.696 3.573 ( 0.499 -0.331 -9.964) 9.982 3.620 ( 1.582 -2.081 -12.616) 12.884 4.089 ( 4.153 5.074 29.314) 30.038 4.357 ( 1.984 -7.148 18.910) 20.313 4.565 ( 1.052 0.500 -9.266) 9.339 4.574 ( 1.609 -0.052 -7.938) 8.099 5.155 ( -4.444 6.868 3.780) 9.012 5.225 ( -5.577 6.105 -1.866) 8.477 5.401 ( -4.128 -3.470 -0.653) 5.433 5.441 ( -5.418 -2.360 -3.718) 6.982 7.470 ( -4.095 3.953 8.645) 10.350 7.498 ( -3.711 4.895 1.877) 6.423 7.528 ( 0.861 0.642 6.800) 6.885 7.644 ( 2.934 0.679 -3.218) 4.408 7.768 ( 4.462 -0.494 2.065) 4.941 7.932 ( 2.867 7.995 -9.619) 12.832 8.126 ( 1.416 -11.601 18.803) 22.139 8.448 ( -0.398 -12.780 -11.511) 17.205 9.408 ( -0.832 0.470 2.877) 3.032 9.457 ( -1.436 -0.871 1.186) 2.056 9.495 ( -2.290 1.370 -3.198) 4.165 9.531 ( -0.131 -0.352 -5.393) 5.407 9.894 ( 2.335 2.904 3.828) 5.342 9.987 ( 2.773 -0.821 -1.172) 3.121 10.014 ( 4.191 0.671 -7.696) 8.789 10.034 ( 3.144 0.151 -4.622) 5.593 11.112 ( 2.998 6.642 14.707) 16.413 11.354 ( 1.908 -1.902 7.654) 8.115 11.449 ( 4.827 2.145 -13.505) 14.501 11.644 ( 1.439 -4.236 -15.874) 16.493 13.658 ( 0.274 0.702 8.390) 8.424 13.693 ( 0.220 -0.738 8.667) 8.701 13.822 ( 1.056 0.773 -8.300) 8.403 13.863 ( 0.848 -0.908 -8.722) 8.810 17.590 ( -1.939 4.651 11.005) 12.104 17.827 ( -0.637 -4.503 7.356) 8.648 17.852 ( -0.628 3.315 -12.752) 13.190 18.036 ( -0.535 -3.365 -10.579) 11.114 18.695 ( -0.399 0.145 2.073) 2.116 18.726 ( -0.842 -0.582 5.459) 5.554 18.777 ( 0.118 1.251 -4.916) 5.074 18.845 ( -0.908 -1.505 -5.881) 6.138 19.303 ( -4.168 5.015 11.427) 13.157 19.519 ( -6.012 0.014 -0.094) 6.012 19.587 ( -2.918 -1.562 -3.122) 4.550 19.728 ( -6.364 -3.065 -8.162) 10.794 ======================= Grid point 275 (94/105) ======================= q-point: ( 0.17 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.258 4.308 13.957) 15.215 2.185 ( 2.557 1.924 12.079) 12.495 2.213 ( 4.955 0.829 11.905) 12.921 2.456 ( 2.764 -8.677 14.777) 17.358 2.506 ( 0.152 1.321 -10.473) 10.557 2.628 ( -2.059 -2.457 -3.809) 4.978 2.731 ( 1.353 -1.674 -6.532) 6.877 2.811 ( 2.396 -4.821 -11.178) 12.407 3.016 ( 7.859 9.633 -2.070) 12.603 3.035 ( 4.131 4.362 -2.482) 6.500 3.160 ( 11.230 -0.522 8.114) 13.865 3.262 ( 13.955 -0.416 -1.233) 14.016 3.438 ( 4.095 -3.296 7.061) 8.802 3.490 ( 3.958 -4.831 1.598) 6.446 3.608 ( 3.596 1.115 -8.465) 9.264 3.667 ( 3.186 -0.673 -11.672) 12.117 4.240 ( 10.648 3.582 19.756) 22.727 4.424 ( 4.651 -4.762 15.647) 17.004 4.603 ( 2.757 1.166 -11.824) 12.197 4.632 ( 4.167 -0.314 -4.503) 6.143 5.025 ( -7.907 5.889 3.581) 10.490 5.070 ( -8.869 5.212 -0.504) 10.300 5.261 ( -9.205 -3.370 -1.002) 9.853 5.286 ( -9.069 -2.897 -1.935) 9.716 7.335 ( -7.964 6.400 10.583) 14.710 7.405 ( -5.564 5.776 -0.331) 8.027 7.536 ( -0.628 -1.583 7.358) 7.553 7.669 ( -0.835 -4.608 -3.885) 6.085 7.881 ( 5.703 1.319 4.993) 7.694 8.024 ( 5.688 6.841 -8.572) 12.354 8.167 ( 2.256 -10.303 14.379) 17.833 8.444 ( 0.106 -9.757 -10.599) 14.407 9.381 ( -1.536 1.025 0.898) 2.053 9.434 ( -0.726 0.208 -0.293) 0.810 9.448 ( -1.860 1.774 -2.106) 3.323 9.528 ( -0.241 -1.469 -5.860) 6.046 9.975 ( 5.374 2.227 6.490) 8.716 10.058 ( 3.910 -1.329 1.071) 4.266 10.108 ( 3.724 0.804 -3.672) 5.291 10.133 ( 6.750 -0.053 -9.512) 11.664 11.209 ( 6.501 6.585 15.208) 17.802 11.425 ( 5.095 -0.429 3.956) 6.465 11.583 ( 7.850 -0.552 -12.329) 14.627 11.692 ( 3.263 -3.138 -12.755) 13.535 13.665 ( 0.419 0.665 9.468) 9.501 13.698 ( 0.230 -0.676 9.398) 9.426 13.852 ( 1.647 0.670 -9.378) 9.545 13.886 ( 1.244 -0.746 -9.847) 9.953 17.536 ( -3.036 5.032 12.226) 13.566 17.809 ( -1.111 -3.787 2.745) 4.807 17.830 ( -1.427 1.277 -9.478) 9.670 18.023 ( -0.697 -3.456 -10.544) 11.118 18.681 ( -0.895 0.231 3.181) 3.312 18.707 ( -0.895 -0.137 5.060) 5.141 18.775 ( -0.364 0.599 -3.453) 3.524 18.820 ( -1.444 -1.186 -4.576) 4.943 19.183 ( -7.087 4.878 11.258) 14.169 19.362 ( -8.625 -0.221 1.271) 8.721 19.486 ( -6.794 -1.913 -6.875) 9.853 19.555 ( -9.399 -1.479 -7.189) 11.925 ======================= Grid point 276 (95/105) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 2.760 5.565 10.319) 12.044 2.200 ( -0.358 5.533 9.118) 10.671 2.292 ( 1.973 1.939 10.737) 11.088 2.428 ( -2.706 3.005 2.514) 4.762 2.534 ( -0.122 -6.513 -1.020) 6.594 2.574 ( -3.202 -3.135 -5.061) 6.760 2.777 ( 2.908 -5.783 -5.133) 8.261 2.849 ( 1.031 -7.794 -9.242) 12.134 3.099 ( 2.206 4.909 3.562) 6.454 3.148 ( 5.273 9.179 -0.333) 10.591 3.331 ( 5.320 -4.139 8.663) 10.976 3.492 ( 5.966 -1.516 0.815) 6.209 3.527 ( 3.812 -1.943 2.584) 4.999 3.631 ( 9.848 -2.065 5.147) 11.302 3.735 ( 7.297 1.348 -11.139) 13.384 3.769 ( 6.803 -0.261 -7.046) 9.798 4.511 ( 13.303 1.073 6.519) 14.853 4.544 ( 5.982 -1.236 9.217) 11.058 4.673 ( 3.287 2.839 -5.038) 6.652 4.744 ( 5.121 -1.813 -5.852) 7.985 4.834 ( -9.908 4.614 2.322) 11.173 4.886 ( -7.027 4.791 -0.908) 8.553 5.059 ( -7.967 -3.059 1.238) 8.623 5.086 ( -8.966 -3.350 0.100) 9.572 7.165 ( -7.898 7.334 10.708) 15.193 7.274 ( -6.587 6.171 -2.739) 9.433 7.491 ( -3.706 -4.836 6.961) 9.251 7.612 ( -4.242 -8.430 -3.831) 10.185 7.986 ( 4.280 2.976 7.890) 9.457 8.149 ( 5.919 5.494 -7.530) 11.041 8.208 ( 1.562 -7.745 12.146) 14.489 8.450 ( 0.272 -4.947 -9.327) 10.561 9.356 ( -0.757 1.230 -0.234) 1.463 9.419 ( -0.642 2.153 -6.035) 6.440 9.422 ( -1.030 -0.504 1.964) 2.274 9.514 ( -1.246 -1.847 -6.445) 6.819 10.098 ( 5.679 0.931 8.207) 10.023 10.140 ( 3.777 -0.872 2.584) 4.658 10.190 ( 4.340 1.931 -2.012) 5.158 10.271 ( 5.964 -1.638 -8.500) 10.512 11.383 ( 10.088 6.062 14.310) 18.528 11.566 ( 8.371 0.071 1.625) 8.528 11.755 ( 7.354 -2.239 -10.527) 13.035 11.789 ( 7.118 -1.524 -10.055) 12.413 13.674 ( 0.380 0.556 10.749) 10.770 13.701 ( 0.039 -0.557 10.393) 10.408 13.886 ( 1.616 0.504 -10.728) 10.861 13.912 ( 1.126 -0.522 -11.143) 11.212 17.470 ( -3.160 5.418 13.257) 14.666 17.780 ( -1.765 0.992 -9.826) 10.033 17.797 ( -1.593 -5.048 2.382) 5.804 18.009 ( -0.643 -3.854 -10.499) 11.202 18.655 ( -1.751 0.598 5.241) 5.558 18.690 ( -0.692 -0.213 5.526) 5.573 18.759 ( -1.250 0.519 -2.165) 2.553 18.791 ( -1.271 -0.609 -3.502) 3.775 19.025 ( -7.564 4.503 9.530) 12.974 19.180 ( -8.415 0.050 0.351) 8.422 19.305 ( -9.920 -0.994 -6.296) 11.791 19.376 ( -7.635 -1.555 -9.106) 11.985 ======================= Grid point 277 (96/105) ======================= q-point: ( 0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -2.343 5.943 9.642) 11.566 2.216 ( 0.894 5.182 5.622) 7.698 2.297 ( -1.472 3.868 5.592) 6.957 2.370 ( -2.610 3.581 -1.983) 4.855 2.483 ( -4.317 -3.571 -3.598) 6.658 2.518 ( -1.660 -2.207 -4.962) 5.679 2.827 ( 1.541 -9.525 -2.717) 10.024 2.851 ( -0.680 -9.499 -3.893) 10.288 3.134 ( 1.293 5.769 8.027) 9.969 3.252 ( 4.837 7.979 -2.335) 9.619 3.420 ( 3.792 -5.351 8.574) 10.795 3.561 ( 2.252 -2.853 -0.190) 3.640 3.614 ( 4.747 2.139 4.902) 7.151 3.793 ( 4.882 -2.751 2.771) 6.252 3.857 ( 4.225 0.646 -9.602) 10.510 3.932 ( 7.875 -0.584 -4.257) 8.970 4.537 ( -7.701 2.358 4.896) 9.425 4.546 ( -10.851 -0.001 0.341) 10.856 4.613 ( -6.855 2.533 0.249) 7.313 4.659 ( -8.552 1.205 -7.134) 11.202 4.884 ( 12.976 2.359 3.460) 13.635 4.965 ( 9.084 -0.425 -2.750) 9.500 5.012 ( 3.426 -1.912 2.154) 4.476 5.041 ( 5.265 -1.637 -0.566) 5.542 7.023 ( -5.540 7.467 10.239) 13.830 7.150 ( -4.943 5.876 -4.390) 8.845 7.396 ( -4.921 -6.844 5.693) 10.172 7.510 ( -5.190 -9.968 -4.851) 12.240 8.062 ( 3.162 3.534 11.254) 12.213 8.219 ( 0.262 -4.832 10.921) 11.945 8.269 ( 4.696 3.779 -6.138) 8.603 8.449 ( -0.366 -1.007 -8.005) 8.077 9.349 ( 0.018 0.737 -1.151) 1.366 9.396 ( -1.427 -0.601 -0.182) 1.559 9.411 ( -0.255 1.207 -6.356) 6.475 9.478 ( -2.078 -1.502 -6.751) 7.221 10.181 ( 2.586 1.083 7.094) 7.628 10.225 ( 4.063 -0.912 5.577) 6.960 10.276 ( 3.527 1.786 -0.749) 4.024 10.366 ( 3.101 -2.082 -5.590) 6.723 11.610 ( 11.091 4.470 12.218) 17.096 11.757 ( 9.345 -0.423 1.449) 9.466 11.881 ( 5.649 0.136 -4.713) 7.358 11.970 ( 8.662 -2.332 -11.544) 14.620 13.680 ( 0.232 0.394 11.831) 11.840 13.700 ( -0.178 -0.392 11.375) 11.383 13.916 ( 1.161 0.325 -11.949) 12.010 13.931 ( 0.736 -0.301 -12.255) 12.281 17.410 ( -2.536 5.673 13.797) 15.132 17.739 ( -1.969 4.575 -17.803) 18.487 17.766 ( -1.380 -9.945 10.597) 14.598 17.995 ( -0.691 -4.368 -10.327) 11.234 18.607 ( -2.848 1.645 7.978) 8.629 18.676 ( -0.693 -0.849 6.663) 6.752 18.724 ( -2.041 1.837 -0.523) 2.795 18.767 ( -1.048 -0.071 -2.983) 3.163 18.894 ( -4.559 3.016 4.335) 6.976 19.029 ( -5.833 -0.024 -0.440) 5.849 19.112 ( -8.053 0.516 -5.766) 9.918 19.232 ( -6.078 -2.251 -10.368) 12.227 ======================= Grid point 278 (97/105) ======================= q-point: ( 0.42 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -1.869 5.655 9.919) 11.570 2.206 ( -2.010 0.798 2.066) 2.991 2.249 ( -1.937 3.976 -1.637) 4.716 2.330 ( -1.395 6.218 -5.861) 8.658 2.397 ( -3.210 -2.295 -0.815) 4.030 2.496 ( -0.524 1.449 -6.888) 7.058 2.832 ( -0.932 -10.035 0.107) 10.079 2.841 ( 0.053 -10.624 -1.062) 10.678 3.153 ( 0.495 6.422 11.020) 12.764 3.344 ( 3.679 7.320 -7.102) 10.842 3.489 ( 2.689 -7.528 11.288) 13.832 3.593 ( 0.969 -0.354 3.463) 3.614 3.745 ( 7.790 -0.509 0.701) 7.839 3.844 ( 0.723 -0.137 -1.731) 1.881 3.927 ( 2.685 -1.768 -2.890) 4.323 4.058 ( 2.905 -3.278 -7.118) 8.358 4.281 ( -10.463 5.026 6.061) 13.095 4.397 ( -6.406 4.546 1.060) 7.927 4.440 ( -6.494 -1.257 0.958) 6.683 4.498 ( -7.153 0.444 -3.485) 7.969 5.106 ( 7.243 1.427 -0.266) 7.387 5.129 ( 5.689 -0.620 0.758) 5.773 5.133 ( 5.971 -0.942 -2.203) 6.433 5.171 ( 5.672 -0.259 -2.627) 6.256 6.939 ( -2.518 7.141 9.795) 12.381 7.077 ( -2.157 5.181 -5.361) 7.761 7.306 ( -3.343 -7.225 4.680) 9.235 7.414 ( -3.644 -9.656 -5.786) 11.831 8.121 ( 2.625 2.322 13.190) 13.648 8.209 ( -1.057 -2.902 13.539) 13.887 8.351 ( 2.891 2.991 -7.905) 8.933 8.438 ( -0.600 1.218 -6.965) 7.096 9.353 ( 0.047 -0.148 -2.016) 2.022 9.370 ( -0.502 -0.143 -2.294) 2.353 9.406 ( -0.227 0.317 -6.083) 6.096 9.433 ( -2.067 -0.779 -6.876) 7.222 10.224 ( 1.629 1.093 7.826) 8.068 10.289 ( 1.884 -1.481 7.095) 7.489 10.330 ( 1.707 1.659 -1.637) 2.889 10.404 ( 0.767 -1.391 -3.247) 3.615 11.813 ( 7.685 2.400 9.920) 12.776 11.917 ( 5.058 -1.842 6.284) 8.274 11.989 ( 4.529 2.954 -5.195) 7.498 12.119 ( 5.229 -2.370 -10.939) 12.354 13.684 ( 0.113 0.231 12.473) 12.476 13.695 ( -0.231 -0.222 12.126) 12.130 13.934 ( 0.579 0.194 -12.805) 12.819 13.942 ( 0.324 -0.138 -12.975) 12.980 17.368 ( -1.406 5.771 13.944) 15.156 17.704 ( -1.235 5.273 -19.127) 19.879 17.741 ( -0.990 -11.400 12.548) 16.982 17.981 ( -0.606 -4.616 -9.971) 11.004 18.547 ( -2.474 2.951 9.862) 10.587 18.660 ( -0.718 -1.506 7.914) 8.088 18.685 ( -1.390 3.495 -0.657) 3.818 18.748 ( -0.697 0.044 -2.371) 2.472 18.836 ( -1.358 1.114 -1.194) 2.124 18.941 ( -2.770 -1.479 2.026) 3.737 18.984 ( -4.124 2.486 -7.566) 8.968 19.132 ( -3.395 -2.402 -10.531) 11.322 ======================= Grid point 279 (98/105) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 0.000 5.456 10.246) 11.608 2.172 ( 0.000 0.606 0.874) 1.064 2.231 ( 0.000 1.512 -5.256) 5.469 2.311 ( 0.000 5.110 -10.524) 11.699 2.365 ( 0.000 1.339 3.893) 4.117 2.492 ( 0.000 2.693 -7.967) 8.410 2.821 ( 0.000 -10.161 1.431) 10.261 2.840 ( 0.000 -10.717 -0.380) 10.724 3.157 ( 0.000 6.638 12.125) 13.823 3.386 ( 0.000 7.369 -10.166) 12.556 3.520 ( 0.000 -9.046 13.329) 16.109 3.603 ( 0.000 0.066 4.027) 4.027 3.841 ( -0.000 -0.560 0.451) 0.719 3.899 ( 0.000 -2.500 2.904) 3.832 3.969 ( -0.000 -1.003 -4.595) 4.703 3.987 ( 0.000 -3.833 -12.164) 12.753 4.202 ( 0.000 8.485 10.132) 13.215 4.333 ( 0.000 2.184 5.424) 5.847 4.366 ( 0.000 1.451 -6.133) 6.302 4.406 ( 0.000 -1.395 -1.048) 1.745 5.177 ( 0.000 1.845 -1.302) 2.259 5.195 ( 0.000 -1.154 0.739) 1.370 5.198 ( -0.000 -0.639 -2.704) 2.779 5.236 ( 0.000 0.007 -3.146) 3.146 6.914 ( 0.000 6.925 9.663) 11.888 7.056 ( -0.000 4.765 -5.725) 7.448 7.270 ( 0.000 -7.128 4.262) 8.305 7.374 ( 0.000 -9.191 -6.054) 11.006 8.162 ( 0.000 0.554 11.382) 11.396 8.185 ( 0.000 -0.969 16.859) 16.887 8.382 ( 0.000 2.465 -8.707) 9.049 8.430 ( 0.000 1.899 -6.264) 6.545 9.347 ( 0.000 -0.114 -2.800) 2.802 9.378 ( -0.000 -0.893 -1.921) 2.118 9.403 ( -0.000 0.050 -5.808) 5.808 9.404 ( 0.000 0.153 -7.771) 7.772 10.243 ( 0.000 0.876 8.137) 8.184 10.306 ( 0.000 -1.758 8.033) 8.223 10.349 ( 0.000 1.600 -2.566) 3.024 10.409 ( 0.000 -0.829 -2.455) 2.592 11.901 ( 0.000 1.134 7.680) 7.763 11.963 ( -0.000 -1.294 10.663) 10.741 12.043 ( 0.000 3.274 -6.511) 7.288 12.175 ( 0.000 -2.280 -10.506) 10.751 13.685 ( 0.000 0.145 12.637) 12.638 13.692 ( 0.000 -0.130 12.451) 12.452 13.940 ( 0.000 0.144 -13.144) 13.145 13.945 ( 0.000 -0.073 -13.196) 13.196 17.354 ( 0.000 5.784 13.949) 15.101 17.691 ( 0.000 5.432 -19.373) 20.120 17.730 ( 0.000 -11.753 13.100) 17.600 17.974 ( 0.000 -4.641 -9.772) 10.818 18.519 ( 0.000 3.438 10.278) 10.838 18.653 ( 0.000 -1.778 8.091) 8.284 18.670 ( 0.000 3.873 -1.219) 4.060 18.741 ( 0.000 -0.022 -2.115) 2.115 18.824 ( 0.000 0.617 -3.108) 3.169 18.912 ( 0.000 -2.861 5.438) 6.145 18.942 ( 0.000 4.018 -10.133) 10.900 19.096 ( 0.000 -2.379 -10.445) 10.713 ======================= Grid point 286 (99/105) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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| 2.014 ( 0.000 -1.439 14.131) 14.204 2.014 ( 0.000 1.439 14.131) 14.204 2.069 ( 0.000 -4.831 12.194) 13.116 2.069 ( 0.000 4.831 12.194) 13.116 2.617 ( 0.000 -3.235 -4.986) 5.944 2.617 ( 0.000 3.235 -4.986) 5.944 2.689 ( 0.000 -2.154 -9.550) 9.790 2.689 ( 0.000 2.154 -9.550) 9.790 2.872 ( 0.000 -2.649 1.408) 3.000 2.872 ( 0.000 2.649 1.408) 3.000 2.947 ( 0.000 -0.564 -5.011) 5.043 2.947 ( 0.000 0.564 -5.011) 5.043 3.367 ( 0.000 -2.497 7.967) 8.349 3.367 ( 0.000 2.497 7.967) 8.349 3.568 ( 0.000 -0.447 -11.069) 11.078 3.568 ( 0.000 0.447 -11.069) 11.078 4.180 ( 0.000 -7.896 25.882) 27.060 4.180 ( 0.000 7.896 25.882) 27.060 4.555 ( 0.000 -0.316 -9.633) 9.638 4.555 ( 0.000 0.316 -9.633) 9.638 5.345 ( 0.000 -6.651 2.006) 6.947 5.345 ( 0.000 6.651 2.006) 6.947 5.418 ( 0.000 -6.087 -3.536) 7.039 5.418 ( 0.000 6.087 -3.536) 7.039 7.519 ( 0.000 -0.377 4.977) 4.992 7.519 ( 0.000 0.377 4.977) 4.992 7.619 ( 0.000 -2.572 -5.662) 6.219 7.619 ( 0.000 2.572 -5.662) 6.219 7.848 ( 0.000 -13.672 18.398) 22.922 7.848 ( 0.000 13.672 18.398) 22.922 8.151 ( 0.000 -15.925 -11.114) 19.420 8.151 ( 0.000 15.925 -11.114) 19.420 9.440 ( 0.000 -1.801 3.648) 4.068 9.440 ( 0.000 1.801 3.648) 4.068 9.533 ( 0.000 -0.344 -4.729) 4.742 9.533 ( 0.000 0.344 -4.729) 4.742 9.929 ( 0.000 -2.604 0.295) 2.621 9.929 ( 0.000 2.604 0.295) 2.621 9.988 ( 0.000 -1.145 -5.908) 6.018 9.988 ( 0.000 1.145 -5.908) 6.018 11.225 ( 0.000 -7.299 12.475) 14.453 11.225 ( 0.000 7.299 12.475) 14.453 11.513 ( 0.000 -6.819 -16.671) 18.012 11.513 ( 0.000 6.819 -16.671) 18.012 13.672 ( 0.000 -1.030 8.154) 8.219 13.672 ( 0.000 1.030 8.154) 8.219 13.832 ( 0.000 -1.249 -8.027) 8.123 13.832 ( 0.000 1.249 -8.027) 8.123 17.721 ( 0.000 -6.429 10.023) 11.908 17.721 ( 0.000 6.429 10.023) 11.908 17.954 ( 0.000 -5.356 -12.813) 13.887 17.954 ( 0.000 5.356 -12.813) 13.887 18.711 ( 0.000 -1.134 4.627) 4.764 18.711 ( 0.000 1.134 4.627) 4.764 18.817 ( 0.000 -2.259 -6.684) 7.056 18.817 ( 0.000 2.259 -6.684) 7.056 19.473 ( 0.000 -7.411 11.489) 13.672 19.473 ( 0.000 7.411 11.489) 13.672 19.700 ( 0.000 -5.825 -11.010) 12.456 19.700 ( 0.000 5.825 -11.010) 12.456 ======================= Grid point 288 (100/105) ======================= q-point: ( 0.08 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 5.262 -1.245 14.227) 15.220 2.078 ( 5.262 1.245 14.227) 15.220 2.133 ( 5.587 -6.071 12.243) 14.763 2.133 ( 5.587 6.071 12.243) 14.763 2.607 ( -0.895 -3.306 -3.656) 5.010 2.607 ( -0.895 3.306 -3.656) 5.010 2.713 ( 1.294 -2.159 -11.641) 11.911 2.713 ( 1.294 2.159 -11.641) 11.911 2.954 ( 7.864 -1.765 0.944) 8.114 2.954 ( 7.864 1.765 0.944) 8.114 3.007 ( 5.632 -2.105 -4.188) 7.327 3.007 ( 5.632 2.105 -4.188) 7.327 3.371 ( 0.693 -2.411 8.333) 8.702 3.371 ( 0.693 2.411 8.333) 8.702 3.581 ( 1.390 -1.414 -11.236) 11.410 3.581 ( 1.390 1.414 -11.236) 11.410 4.213 ( 3.304 -7.355 24.087) 25.400 4.213 ( 3.304 7.355 24.087) 25.400 4.570 ( 1.435 -0.448 -9.440) 9.559 4.570 ( 1.435 0.448 -9.440) 9.559 5.291 ( -5.102 -5.463 2.247) 7.805 5.291 ( -5.102 5.463 2.247) 7.805 5.363 ( -5.194 -4.828 -3.318) 7.829 5.363 ( -5.194 4.828 -3.318) 7.829 7.521 ( -0.485 -1.205 5.865) 6.007 7.521 ( -0.485 1.205 5.865) 6.007 7.605 ( -1.730 -4.561 -2.360) 5.419 7.605 ( -1.730 4.561 -2.360) 5.419 7.879 ( 3.138 -11.732 14.409) 18.844 7.879 ( 3.138 11.732 14.409) 18.844 8.162 ( 1.303 -14.969 -11.467) 18.901 8.162 ( 1.303 14.969 -11.467) 18.901 9.432 ( -0.659 -1.575 3.128) 3.564 9.432 ( -0.659 1.575 3.128) 3.564 9.517 ( -1.278 -0.962 -4.553) 4.825 9.517 ( -1.278 0.962 -4.553) 4.825 9.951 ( 2.237 -2.645 1.567) 3.802 9.951 ( 2.237 2.645 1.567) 3.802 10.030 ( 3.683 -0.604 -6.507) 7.501 10.030 ( 3.683 0.604 -6.507) 7.501 11.256 ( 2.995 -7.243 12.302) 14.587 11.256 ( 2.995 7.243 12.302) 14.587 11.539 ( 2.518 -5.987 -16.274) 17.522 11.539 ( 2.518 5.987 -16.274) 17.522 13.675 ( 0.254 -1.017 8.502) 8.566 13.675 ( 0.254 1.017 8.502) 8.566 13.842 ( 0.966 -1.187 -8.473) 8.610 13.842 ( 0.966 1.187 -8.473) 8.610 17.706 ( -1.431 -6.858 10.422) 12.558 17.706 ( -1.431 6.858 10.422) 12.558 17.947 ( -0.646 -5.423 -13.310) 14.387 17.947 ( -0.646 5.423 -13.310) 14.387 18.707 ( -0.425 -1.036 4.907) 5.033 18.707 ( -0.425 1.036 4.907) 5.033 18.810 ( -0.563 -1.966 -6.165) 6.495 18.810 ( -0.563 1.966 -6.165) 6.495 19.424 ( -4.566 -6.935 11.086) 13.850 19.424 ( -4.566 6.935 11.086) 13.850 19.647 ( -4.973 -4.876 -10.892) 12.928 19.647 ( -4.973 4.876 -10.892) 12.928 ======================= Grid point 290 (101/105) ======================= q-point: ( 0.17 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 5.223 -3.706 13.839) 15.249 2.195 ( 5.223 3.706 13.839) 15.249 2.261 ( 5.799 -7.617 11.745) 15.153 2.261 ( 5.799 7.617 11.745) 15.153 2.576 ( -2.125 -3.316 -2.965) 4.930 2.576 ( -2.125 3.316 -2.965) 4.930 2.728 ( 0.261 -2.652 -13.381) 13.644 2.728 ( 0.261 2.652 -13.381) 13.644 3.118 ( 6.035 -3.564 3.778) 7.963 3.118 ( 6.035 3.564 3.778) 7.963 3.190 ( 10.556 -6.991 -5.050) 13.631 3.190 ( 10.556 6.991 -5.050) 13.631 3.421 ( 5.021 -1.549 8.691) 10.156 3.421 ( 5.021 1.549 8.691) 10.156 3.636 ( 4.245 -1.905 -10.736) 11.701 3.636 ( 4.245 1.905 -10.736) 11.701 4.327 ( 7.868 -5.071 18.059) 20.340 4.327 ( 7.868 5.071 18.059) 20.340 4.620 ( 3.574 -0.818 -8.820) 9.551 4.620 ( 3.574 0.818 -8.820) 9.551 5.141 ( -8.974 -3.452 2.910) 10.046 5.141 ( -8.974 3.452 2.910) 10.046 5.210 ( -9.226 -2.939 -2.635) 10.035 5.210 ( -9.226 2.939 -2.635) 10.035 7.467 ( -4.834 -5.870 8.002) 11.039 7.467 ( -4.834 5.870 8.002) 11.039 7.542 ( -4.234 -7.750 -0.756) 8.864 7.542 ( -4.234 7.750 -0.756) 8.864 7.969 ( 5.024 -8.234 10.558) 14.301 7.969 ( 5.024 8.234 10.558) 14.301 8.216 ( 3.804 -12.204 -11.533) 17.217 8.216 ( 3.804 12.204 -11.533) 17.217 9.415 ( -0.943 -1.806 2.294) 3.068 9.415 ( -0.943 1.806 2.294) 3.068 9.491 ( -1.141 -2.216 -4.688) 5.310 9.491 ( -1.141 2.216 -4.688) 5.310 10.022 ( 4.390 -2.338 3.656) 6.173 10.022 ( 4.390 2.338 3.656) 6.173 10.124 ( 5.088 -0.779 -6.672) 8.427 10.124 ( 5.088 0.779 -6.672) 8.427 11.351 ( 6.215 -6.869 11.656) 14.888 11.351 ( 6.215 6.869 11.656) 14.888 11.619 ( 5.118 -3.793 -15.091) 16.380 11.619 ( 5.118 3.793 -15.091) 16.380 13.682 ( 0.330 -0.947 9.411) 9.465 13.682 ( 0.330 0.947 9.411) 9.465 13.868 ( 1.464 -1.001 -9.596) 9.758 13.868 ( 1.464 1.001 -9.596) 9.758 17.665 ( -2.334 -7.886 11.402) 14.058 17.665 ( -2.334 7.886 11.402) 14.058 17.928 ( -1.197 -5.815 -14.474) 15.644 17.928 ( -1.197 5.815 -14.474) 15.644 18.694 ( -0.769 -0.920 5.691) 5.816 18.694 ( -0.769 0.920 5.691) 5.816 18.795 ( -0.907 -1.312 -4.881) 5.135 18.795 ( -0.907 1.312 -4.881) 5.135 19.294 ( -7.625 -5.880 9.981) 13.869 19.294 ( -7.625 5.880 9.981) 13.869 19.507 ( -8.055 -2.972 -10.836) 13.826 19.507 ( -8.055 2.972 -10.836) 13.826 ======================= Grid point 292 (102/105) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 1.208 -2.384 10.963) 11.284 2.266 ( 1.208 2.384 10.963) 11.284 2.365 ( 4.372 -7.823 10.893) 14.106 2.365 ( 4.372 7.823 10.893) 14.106 2.517 ( -3.558 -3.383 -2.925) 5.715 2.517 ( -3.558 3.383 -2.925) 5.715 2.725 ( -0.635 -2.513 -13.355) 13.604 2.725 ( -0.635 2.513 -13.355) 13.604 3.211 ( 3.458 -5.950 8.389) 10.851 3.211 ( 3.458 5.950 8.389) 10.851 3.346 ( 4.748 -9.006 -5.183) 11.424 3.346 ( 4.748 9.006 -5.183) 11.424 3.580 ( 8.156 -3.225 7.209) 11.353 3.580 ( 8.156 3.225 7.209) 11.353 3.757 ( 7.075 -0.956 -8.670) 11.232 3.757 ( 7.075 0.956 -8.670) 11.232 4.528 ( 9.939 -0.728 8.511) 13.106 4.528 ( 9.939 0.728 8.511) 13.106 4.708 ( 3.518 -1.675 -7.386) 8.351 4.708 ( 3.518 1.675 -7.386) 8.351 4.949 ( -7.727 -4.305 4.005) 9.710 4.949 ( -7.727 4.305 4.005) 9.710 5.006 ( -8.836 -3.183 -1.435) 9.501 5.006 ( -8.836 3.183 -1.435) 9.501 7.341 ( -6.681 -9.468 8.365) 14.291 7.341 ( -6.681 9.468 8.365) 14.291 7.432 ( -6.028 -9.120 -2.118) 11.135 7.432 ( -6.028 9.120 -2.118) 11.135 8.066 ( 4.025 -5.811 10.884) 12.978 8.066 ( 4.025 5.811 10.884) 12.978 8.303 ( 4.109 -9.031 -10.808) 14.672 8.303 ( 4.109 9.031 -10.808) 14.672 9.395 ( -1.024 -2.092 1.435) 2.736 9.395 ( -1.024 2.092 1.435) 2.736 9.468 ( -1.133 -2.637 -5.432) 6.144 9.468 ( -1.133 2.637 -5.432) 6.144 10.120 ( 4.713 -1.176 5.563) 7.385 10.120 ( 4.713 1.176 5.563) 7.385 10.231 ( 4.906 -2.256 -5.656) 7.820 10.231 ( 4.906 2.256 -5.656) 7.820 11.511 ( 8.966 -5.924 10.552) 15.061 11.511 ( 8.966 5.924 10.552) 15.061 11.750 ( 7.422 -1.806 -13.197) 15.249 11.750 ( 7.422 1.806 -13.197) 15.249 13.688 ( 0.211 -0.785 10.557) 10.588 13.688 ( 0.211 0.785 10.557) 10.588 13.899 ( 1.386 -0.726 -10.941) 11.052 13.899 ( 1.386 0.726 -10.941) 11.052 17.613 ( -2.565 -9.011 12.540) 15.653 17.613 ( -2.565 9.011 12.540) 15.653 17.899 ( -1.507 -6.654 -15.696) 17.115 17.899 ( -1.507 6.654 -15.696) 17.115 18.675 ( -1.121 -1.188 6.918) 7.109 18.675 ( -1.121 1.188 6.918) 7.109 18.775 ( -0.980 -0.960 -3.410) 3.676 18.775 ( -0.980 0.960 -3.410) 3.676 19.125 ( -8.177 -5.087 8.264) 12.690 19.125 ( -8.177 5.087 8.264) 12.690 19.330 ( -8.494 -2.822 -11.148) 14.297 19.330 ( -8.494 2.822 -11.148) 14.297 ======================= Grid point 294 (103/105) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -2.197 -2.041 8.005) 8.548 2.251 ( -2.197 2.041 8.005) 8.548 2.404 ( -3.201 -4.301 -2.978) 6.133 2.404 ( -3.201 4.301 -2.978) 6.133 2.473 ( 2.116 -4.094 7.198) 8.547 2.473 ( 2.116 4.094 7.198) 8.547 2.700 ( -1.783 -1.530 -10.465) 10.725 2.700 ( -1.783 1.530 -10.465) 10.725 3.273 ( 2.508 -7.730 10.154) 13.006 3.273 ( 2.508 7.730 10.154) 13.006 3.430 ( 3.842 -8.359 -5.031) 10.485 3.430 ( 3.842 8.359 -5.031) 10.485 3.706 ( 4.351 -5.310 7.996) 10.539 3.706 ( 4.351 5.310 7.996) 10.539 3.900 ( 5.738 -2.532 -10.287) 12.048 3.900 ( 5.738 2.532 -10.287) 12.048 4.552 ( -8.142 -0.323 4.949) 9.534 4.552 ( -8.142 0.323 4.949) 9.534 4.662 ( -8.167 -1.378 -4.168) 9.272 4.662 ( -8.167 1.378 -4.168) 9.272 4.940 ( 8.217 -2.837 3.058) 9.216 4.940 ( 8.217 2.837 3.058) 9.216 5.000 ( 6.950 -1.773 -2.370) 7.554 5.000 ( 6.950 1.773 -2.370) 7.554 7.210 ( -5.513 -10.659 7.486) 14.144 7.210 ( -5.513 10.659 7.486) 14.144 7.309 ( -5.432 -9.471 -3.358) 11.422 7.309 ( -5.432 9.471 -3.358) 11.422 8.132 ( 2.263 -3.942 12.468) 13.270 8.132 ( 2.263 3.942 12.468) 13.270 8.375 ( 2.744 -5.871 -10.062) 11.969 8.375 ( 2.744 5.871 -10.062) 11.969 9.374 ( -0.873 -1.539 0.309) 1.796 9.374 ( -0.873 1.539 0.309) 1.796 9.442 ( -1.315 -1.945 -6.245) 6.671 9.442 ( -1.315 1.945 -6.245) 6.671 10.205 ( 3.266 -1.251 7.186) 7.992 10.205 ( 3.266 1.251 7.186) 7.992 10.318 ( 3.346 -2.531 -4.358) 6.049 10.318 ( 3.346 2.531 -4.358) 6.049 11.706 ( 9.210 -4.624 9.683) 14.141 11.706 ( 9.210 4.624 9.683) 14.141 11.915 ( 7.952 -2.992 -11.038) 13.929 11.915 ( 7.952 2.992 -11.038) 13.929 13.690 ( 0.028 -0.554 11.599) 11.612 13.690 ( 0.028 0.554 11.599) 11.612 13.924 ( 0.960 -0.445 -12.120) 12.166 13.924 ( 0.960 0.445 -12.120) 12.166 17.563 ( -2.211 -9.831 13.497) 16.844 17.563 ( -2.211 9.831 13.497) 16.844 17.867 ( -1.466 -7.619 -16.587) 18.312 17.867 ( -1.466 7.619 -16.587) 18.312 18.647 ( -1.520 -2.045 8.556) 8.928 18.647 ( -1.520 2.045 8.556) 8.928 18.755 ( -0.944 -1.219 -2.227) 2.708 18.755 ( -0.944 1.219 -2.227) 2.708 18.972 ( -6.128 -4.541 5.883) 9.633 18.972 ( -6.128 4.541 5.883) 9.633 19.170 ( -6.607 -3.966 -11.543) 13.879 19.170 ( -6.607 3.966 -11.543) 13.879 ======================= Grid point 296 (104/105) ======================= q-point: ( 0.42 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -2.378 -2.347 5.604) 6.525 2.198 ( -2.378 2.347 5.604) 6.525 2.317 ( -3.732 -3.220 -5.653) 7.500 2.317 ( -3.732 3.220 -5.653) 7.500 2.535 ( 2.959 -5.720 4.385) 7.791 2.535 ( 2.959 5.720 4.385) 7.791 2.654 ( -2.469 -1.481 -6.283) 6.911 2.654 ( -2.469 1.481 -6.283) 6.911 3.313 ( 1.258 -9.435 12.464) 15.683 3.313 ( 1.258 9.435 12.464) 15.683 3.505 ( 3.045 -7.724 -5.999) 10.243 3.505 ( 3.045 7.724 -5.999) 10.243 3.788 ( 3.946 -3.948 6.573) 8.624 3.788 ( 3.946 3.948 6.573) 8.624 3.971 ( 0.748 -4.474 -11.847) 12.686 3.971 ( 0.748 4.474 -11.847) 12.686 4.381 ( -5.879 -4.219 7.353) 10.317 4.381 ( -5.879 4.219 7.353) 10.317 4.479 ( -7.929 -2.662 -1.749) 8.545 4.479 ( -7.929 2.662 -1.749) 8.545 5.117 ( 6.468 -0.427 0.093) 6.482 5.117 ( 6.468 0.427 0.093) 6.482 5.151 ( 6.108 -1.752 -3.133) 7.084 5.151 ( 6.108 1.752 -3.133) 7.084 7.122 ( -2.897 -10.686 6.459) 12.818 7.122 ( -2.897 10.686 6.459) 12.818 7.219 ( -3.047 -9.128 -3.959) 10.406 7.219 ( -3.047 9.128 -3.959) 10.406 8.164 ( 0.911 -2.062 13.908) 14.089 8.164 ( 0.911 2.062 13.908) 14.089 8.417 ( 1.311 -3.060 -9.627) 10.186 8.417 ( 1.311 3.060 -9.627) 10.186 9.361 ( -0.400 -0.728 -0.844) 1.184 9.361 ( -0.400 0.728 -0.844) 1.184 9.416 ( -1.046 -0.801 -6.589) 6.720 9.416 ( -1.046 0.801 -6.589) 6.720 10.254 ( 1.498 -1.880 8.141) 8.488 10.254 ( 1.498 1.880 8.141) 8.488 10.368 ( 1.502 -2.124 -3.504) 4.364 10.368 ( 1.502 2.124 -3.504) 4.364 11.868 ( 5.825 -2.992 9.513) 11.549 11.868 ( 5.825 2.992 9.513) 11.549 12.058 ( 5.255 -3.764 -9.402) 11.410 12.058 ( 5.255 3.764 -9.402) 11.410 13.690 ( -0.056 -0.321 12.303) 12.308 13.690 ( -0.056 0.321 12.303) 12.308 13.938 ( 0.460 -0.237 -12.911) 12.922 13.938 ( 0.460 0.237 -12.911) 12.922 17.525 ( -1.317 -10.203 14.095) 17.450 17.525 ( -1.317 10.203 14.095) 17.450 17.841 ( -0.955 -8.272 -17.058) 18.982 17.841 ( -0.955 8.272 -17.058) 18.982 18.616 ( -1.336 -3.224 10.084) 10.671 18.616 ( -1.336 3.224 10.084) 10.671 18.736 ( -0.812 -1.573 -1.556) 2.357 18.736 ( -0.812 1.573 -1.556) 2.357 18.880 ( -2.748 -3.356 3.432) 5.531 18.880 ( -2.748 3.356 3.432) 5.531 19.065 ( -3.417 -4.419 -11.559) 12.838 19.065 ( -3.417 4.419 -11.559) 12.838 ======================= Grid point 298 (105/105) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 -1.633 4.603) 4.884 2.170 ( 0.000 1.633 4.603) 4.884 2.275 ( 0.000 -2.965 -6.006) 6.698 2.275 ( 0.000 2.965 -6.006) 6.698 2.583 ( 0.000 -14.407 0.348) 14.412 2.583 ( -0.000 14.408 0.348) 14.412 2.610 ( 0.000 -9.960 -2.575) 10.288 2.610 ( -0.000 9.960 -2.575) 10.288 3.326 ( 0.000 -10.180 13.743) 17.103 3.326 ( 0.000 10.180 13.743) 17.103 3.539 ( 0.000 -6.966 -6.173) 9.308 3.539 ( 0.000 6.966 -6.173) 9.308 3.851 ( -0.000 -1.812 2.794) 3.330 3.851 ( 0.000 1.812 2.794) 3.330 3.952 ( 0.000 -0.257 -8.008) 8.012 3.952 ( 0.000 0.257 -8.008) 8.012 4.342 ( 0.000 -5.028 4.344) 6.644 4.342 ( -0.000 5.028 4.344) 6.644 4.372 ( 0.000 -0.732 1.017) 1.254 4.372 ( 0.000 0.732 1.017) 1.254 5.184 ( 0.000 -0.100 -0.150) 0.180 5.184 ( 0.000 0.100 -0.150) 0.180 5.219 ( 0.000 -1.716 -3.876) 4.239 5.219 ( 0.000 1.716 -3.876) 4.239 7.092 ( 0.000 -10.514 6.005) 12.108 7.092 ( 0.000 10.514 6.005) 12.108 7.187 ( 0.000 -8.761 -4.101) 9.674 7.187 ( 0.000 8.761 -4.101) 9.674 8.173 ( 0.000 -0.530 14.496) 14.506 8.173 ( 0.000 0.530 14.496) 14.506 8.430 ( 0.000 -1.825 -9.503) 9.677 8.430 ( 0.000 1.825 -9.503) 9.677 9.357 ( -0.000 -1.047 -1.394) 1.743 9.357 ( 0.000 1.047 -1.394) 1.743 9.404 ( 0.000 -0.055 -6.579) 6.580 9.404 ( 0.000 0.055 -6.579) 6.580 10.269 ( 0.000 -1.815 8.415) 8.608 10.269 ( 0.000 1.815 8.415) 8.608 10.383 ( 0.000 -1.747 -3.220) 3.663 10.383 ( 0.000 1.747 -3.220) 3.663 11.931 ( 0.000 -1.829 9.577) 9.750 11.931 ( 0.000 1.829 9.577) 9.750 12.115 ( 0.000 -3.769 -8.811) 9.583 12.115 ( 0.000 3.769 -8.811) 9.583 13.689 ( 0.000 -0.197 12.551) 12.553 13.689 ( 0.000 0.197 12.551) 12.553 13.943 ( 0.000 -0.155 -13.192) 13.193 13.943 ( 0.000 0.155 -13.192) 13.193 17.511 ( 0.000 -10.280 14.291) 17.604 17.511 ( 0.000 10.280 14.291) 17.604 17.831 ( 0.000 -8.475 -17.194) 19.170 17.831 ( 0.000 8.475 -17.194) 19.170 18.600 ( 0.000 -3.836 10.646) 11.316 18.600 ( 0.000 3.836 10.646) 11.316 18.726 ( 0.000 -1.795 -1.410) 2.282 18.726 ( 0.000 1.795 -1.410) 2.282 18.853 ( 0.000 -2.604 2.437) 3.566 18.853 ( 0.000 2.604 2.437) 3.566 19.029 ( 0.000 -4.418 -11.424) 12.249 19.029 ( 0.000 4.418 -11.424) 12.249 =================== 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 3/25920 10.0 2614.830 2435.284 4062.621 0.000 0.000 -0.000 3/25920 20.0 589.895 525.506 1050.381 0.000 0.000 0.000 3/25920 30.0 207.679 206.902 400.111 0.000 0.000 0.000 3/25920 40.0 105.014 112.102 210.612 0.000 0.000 0.000 3/25920 50.0 65.338 71.650 132.842 0.000 0.000 0.000 3/25920 60.0 45.767 50.567 93.167 0.000 0.000 0.000 3/25920 70.0 34.524 38.146 70.034 0.000 0.000 0.000 3/25920 80.0 27.391 30.188 55.293 0.000 0.000 0.000 3/25920 90.0 22.542 24.765 45.278 0.000 0.000 0.000 3/25920 100.0 19.070 20.888 38.132 0.000 0.000 0.000 3/25920 110.0 16.483 18.007 32.832 0.000 0.000 0.000 3/25920 120.0 14.493 15.798 28.774 0.000 0.000 0.000 3/25920 130.0 12.921 14.058 25.585 0.000 0.000 0.000 3/25920 140.0 11.652 12.659 23.023 0.000 0.000 0.000 3/25920 150.0 10.608 11.511 20.925 0.000 0.000 0.000 3/25920 160.0 9.736 10.554 19.179 0.000 0.000 0.000 3/25920 170.0 8.997 9.745 17.706 0.000 0.000 0.000 3/25920 180.0 8.363 9.053 16.448 0.000 0.000 0.000 3/25920 190.0 7.814 8.455 15.361 0.000 0.000 0.000 3/25920 200.0 7.333 7.933 14.413 0.000 0.000 0.000 3/25920 210.0 6.910 7.473 13.580 0.000 0.000 0.000 3/25920 220.0 6.534 7.065 12.841 0.000 0.000 0.000 3/25920 230.0 6.197 6.701 12.181 0.000 0.000 0.000 3/25920 240.0 5.895 6.373 11.589 0.000 0.000 0.000 3/25920 250.0 5.621 6.077 11.054 0.000 0.000 0.000 3/25920 260.0 5.373 5.809 10.568 0.000 0.000 0.000 3/25920 270.0 5.146 5.564 10.125 0.000 0.000 0.000 3/25920 280.0 4.938 5.339 9.719 0.000 0.000 0.000 3/25920 290.0 4.747 5.133 9.346 0.000 0.000 0.000 3/25920 300.0 4.570 4.942 9.001 0.000 0.000 0.000 3/25920 310.0 4.407 4.765 8.682 0.000 0.000 0.000 3/25920 320.0 4.255 4.602 8.386 0.000 0.000 0.000 3/25920 330.0 4.113 4.449 8.110 0.000 0.000 0.000 3/25920 340.0 3.981 4.306 7.852 0.000 0.000 0.000 3/25920 350.0 3.858 4.173 7.611 0.000 0.000 0.000 3/25920 360.0 3.742 4.048 7.384 0.000 0.000 0.000 3/25920 370.0 3.633 3.930 7.171 0.000 0.000 0.000 3/25920 380.0 3.530 3.819 6.971 0.000 0.000 0.000 3/25920 390.0 3.433 3.715 6.782 0.000 0.000 0.000 3/25920 400.0 3.341 3.616 6.603 0.000 0.000 0.000 3/25920 410.0 3.255 3.522 6.433 0.000 0.000 0.000 3/25920 420.0 3.172 3.434 6.272 0.000 0.000 0.000 3/25920 430.0 3.094 3.349 6.119 0.000 0.000 0.000 3/25920 440.0 3.020 3.269 5.974 0.000 0.000 0.000 3/25920 450.0 2.949 3.193 5.836 0.000 0.000 0.000 3/25920 460.0 2.882 3.120 5.704 0.000 0.000 0.000 3/25920 470.0 2.818 3.051 5.577 0.000 0.000 0.000 3/25920 480.0 2.756 2.984 5.457 0.000 0.000 0.000 3/25920 490.0 2.697 2.921 5.342 0.000 0.000 0.000 3/25920 500.0 2.641 2.860 5.231 0.000 0.000 0.000 3/25920 510.0 2.587 2.802 5.125 0.000 0.000 0.000 3/25920 520.0 2.535 2.746 5.024 0.000 0.000 0.000 3/25920 530.0 2.486 2.692 4.926 0.000 0.000 0.000 3/25920 540.0 2.438 2.641 4.832 0.000 0.000 0.000 3/25920 550.0 2.392 2.591 4.742 0.000 0.000 0.000 3/25920 560.0 2.348 2.543 4.655 0.000 0.000 0.000 3/25920 570.0 2.305 2.497 4.572 0.000 0.000 0.000 3/25920 580.0 2.264 2.453 4.491 0.000 0.000 0.000 3/25920 590.0 2.225 2.410 4.413 0.000 0.000 0.000 3/25920 600.0 2.187 2.369 4.338 0.000 0.000 0.000 3/25920 610.0 2.150 2.329 4.265 0.000 0.000 0.000 3/25920 620.0 2.114 2.291 4.195 0.000 0.000 0.000 3/25920 630.0 2.080 2.253 4.127 0.000 0.000 0.000 3/25920 640.0 2.046 2.217 4.062 0.000 0.000 0.000 3/25920 650.0 2.014 2.182 3.998 0.000 0.000 0.000 3/25920 660.0 1.983 2.149 3.936 0.000 0.000 0.000 3/25920 670.0 1.952 2.116 3.876 0.000 0.000 0.000 3/25920 680.0 1.923 2.084 3.819 0.000 0.000 0.000 3/25920 690.0 1.895 2.053 3.762 0.000 0.000 0.000 3/25920 700.0 1.867 2.023 3.708 0.000 0.000 0.000 3/25920 710.0 1.840 1.994 3.655 0.000 0.000 0.000 3/25920 720.0 1.814 1.966 3.603 0.000 0.000 0.000 3/25920 730.0 1.789 1.939 3.553 0.000 0.000 0.000 3/25920 740.0 1.764 1.912 3.505 0.000 0.000 0.000 3/25920 750.0 1.740 1.886 3.457 0.000 0.000 0.000 3/25920 760.0 1.717 1.861 3.411 0.000 0.000 0.000 3/25920 770.0 1.694 1.836 3.366 0.000 0.000 0.000 3/25920 780.0 1.672 1.812 3.323 0.000 0.000 0.000 3/25920 790.0 1.650 1.789 3.280 0.000 0.000 0.000 3/25920 800.0 1.629 1.766 3.239 0.000 0.000 0.000 3/25920 810.0 1.609 1.744 3.198 0.000 0.000 0.000 3/25920 820.0 1.589 1.723 3.159 0.000 0.000 0.000 3/25920 830.0 1.570 1.702 3.120 0.000 0.000 0.000 3/25920 840.0 1.551 1.681 3.083 0.000 0.000 0.000 3/25920 850.0 1.532 1.661 3.046 0.000 0.000 0.000 3/25920 860.0 1.514 1.641 3.010 0.000 0.000 0.000 3/25920 870.0 1.496 1.622 2.975 0.000 0.000 0.000 3/25920 880.0 1.479 1.604 2.941 0.000 0.000 0.000 3/25920 890.0 1.462 1.585 2.908 0.000 0.000 0.000 3/25920 900.0 1.446 1.568 2.875 0.000 0.000 0.000 3/25920 910.0 1.430 1.550 2.844 0.000 0.000 0.000 3/25920 920.0 1.414 1.533 2.812 0.000 0.000 0.000 3/25920 930.0 1.399 1.516 2.782 0.000 0.000 0.000 3/25920 940.0 1.384 1.500 2.752 0.000 0.000 0.000 3/25920 950.0 1.369 1.484 2.723 0.000 0.000 0.000 3/25920 960.0 1.354 1.469 2.694 0.000 0.000 0.000 3/25920 970.0 1.340 1.453 2.666 0.000 0.000 0.000 3/25920 980.0 1.326 1.438 2.639 0.000 0.000 0.000 3/25920 990.0 1.313 1.424 2.612 0.000 0.000 0.000 3/25920 1000.0 1.300 1.409 2.586 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m1249.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:38:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|