----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:14:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.878286230782596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718812170000000 0.000000000000000 c -1.926935115486189 0.000000000000000 5.345442727598984 Atomic positions (fractional): *1 O 0.23679400092536 0.65322952725493 0.46888219752638 15.999 2 O 0.76320599907464 0.65322952725493 0.03111780247362 15.999 3 O 0.76320599907464 0.34677047274507 0.53111780247362 15.999 4 O 0.23679400092536 0.34677047274507 0.96888219752638 15.999 *5 O 0.20966686300938 0.89850105488195 0.99909051543973 15.999 6 O 0.79033313699062 0.89850105488195 0.50090948456027 15.999 7 O 0.20966686300938 0.10149894511805 0.49909051543972 15.999 8 O 0.79033313699062 0.10149894511805 0.00090948456028 15.999 *9 Na 0.00000000000000 0.38224171813464 0.25000000000000 22.990 *10 Na 0.50000000000000 0.39650375028324 0.75000000000000 22.990 *11 Na 0.50000000000000 0.12956338092524 0.25000000000000 22.990 12 Na 0.50000000000000 0.87043661907476 0.75000000000000 22.990 13 Na 0.00000000000000 0.61775828186536 0.75000000000000 22.990 14 Na 0.50000000000000 0.60349624971676 0.25000000000000 22.990 *15 Bi 0.00000000000000 0.86385943340621 0.25000000000000 208.980 16 Bi 0.00000000000000 0.13614056659379 0.75000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.878286230782596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718812170000000 0.000000000000000 c -1.926935115486189 0.000000000000000 5.345442727598984 Atomic positions (fractional): *1 O 0.23679400092536 0.65322952725493 0.46888219752638 15.999 > 1 2 O 0.76320599907464 0.65322952725493 0.03111780247362 15.999 > 2 3 O 0.76320599907464 0.34677047274507 0.53111780247362 15.999 > 3 4 O 0.23679400092536 0.34677047274507 0.96888219752638 15.999 > 4 *5 O 0.20966686300938 0.89850105488195 0.99909051543973 15.999 > 5 6 O 0.79033313699062 0.89850105488195 0.50090948456027 15.999 > 6 7 O 0.20966686300938 0.10149894511805 0.49909051543972 15.999 > 7 8 O 0.79033313699062 0.10149894511805 0.00090948456028 15.999 > 8 *9 Na 0.00000000000000 0.38224171813464 0.25000000000000 22.990 > 9 *10 Na 0.50000000000000 0.39650375028324 0.75000000000000 22.990 > 10 *11 Na 0.50000000000000 0.12956338092524 0.25000000000000 22.990 > 11 12 Na 0.50000000000000 0.87043661907476 0.75000000000000 22.990 > 12 13 Na 0.00000000000000 0.61775828186536 0.75000000000000 22.990 > 13 14 Na 0.50000000000000 0.60349624971676 0.25000000000000 22.990 > 14 *15 Bi 0.00000000000000 0.86385943340621 0.25000000000000 208.980 > 15 16 Bi 0.00000000000000 0.13614056659379 0.75000000000000 208.980 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.756572461565192 0.000000000000000 0.000000000000000 b 0.000000000000000 13.437624339999999 0.000000000000000 c -3.853870230972378 0.000000000000000 10.690885455197968 Atomic positions (fractional): *1 O 0.11839700046268 0.32661476362747 0.23444109876319 15.999 > 1 2 O 0.61839700046268 0.32661476362747 0.23444109876319 15.999 > 1 3 O 0.11839700046268 0.82661476362747 0.23444109876319 15.999 > 1 4 O 0.61839700046268 0.82661476362747 0.23444109876319 15.999 > 1 5 O 0.11839700046268 0.32661476362747 0.73444109876319 15.999 > 1 6 O 0.61839700046268 0.32661476362747 0.73444109876319 15.999 > 1 7 O 0.11839700046268 0.82661476362747 0.73444109876319 15.999 > 1 8 O 0.61839700046268 0.82661476362747 0.73444109876319 15.999 > 1 9 O 0.38160299953732 0.32661476362747 0.01555890123681 15.999 > 2 10 O 0.88160299953732 0.32661476362747 0.01555890123681 15.999 > 2 11 O 0.38160299953732 0.82661476362747 0.01555890123681 15.999 > 2 12 O 0.88160299953732 0.82661476362747 0.01555890123681 15.999 > 2 13 O 0.38160299953732 0.32661476362747 0.51555890123681 15.999 > 2 14 O 0.88160299953732 0.32661476362747 0.51555890123681 15.999 > 2 15 O 0.38160299953732 0.82661476362747 0.51555890123681 15.999 > 2 16 O 0.88160299953732 0.82661476362747 0.51555890123681 15.999 > 2 17 O 0.38160299953732 0.17338523637253 0.26555890123681 15.999 > 3 18 O 0.88160299953732 0.17338523637253 0.26555890123681 15.999 > 3 19 O 0.38160299953732 0.67338523637253 0.26555890123681 15.999 > 3 20 O 0.88160299953732 0.67338523637253 0.26555890123681 15.999 > 3 21 O 0.38160299953732 0.17338523637253 0.76555890123681 15.999 > 3 22 O 0.88160299953732 0.17338523637253 0.76555890123681 15.999 > 3 23 O 0.38160299953732 0.67338523637253 0.76555890123681 15.999 > 3 24 O 0.88160299953732 0.67338523637253 0.76555890123681 15.999 > 3 25 O 0.11839700046268 0.17338523637253 0.48444109876319 15.999 > 4 26 O 0.61839700046268 0.17338523637253 0.48444109876319 15.999 > 4 27 O 0.11839700046268 0.67338523637253 0.48444109876319 15.999 > 4 28 O 0.61839700046268 0.67338523637253 0.48444109876319 15.999 > 4 29 O 0.11839700046268 0.17338523637253 0.98444109876319 15.999 > 4 30 O 0.61839700046268 0.17338523637253 0.98444109876319 15.999 > 4 31 O 0.11839700046268 0.67338523637253 0.98444109876319 15.999 > 4 32 O 0.61839700046268 0.67338523637253 0.98444109876319 15.999 > 4 *33 O 0.10483343150469 0.44925052744097 0.49954525771986 15.999 > 5 34 O 0.60483343150469 0.44925052744097 0.49954525771986 15.999 > 5 35 O 0.10483343150469 0.94925052744097 0.49954525771986 15.999 > 5 36 O 0.60483343150469 0.94925052744097 0.49954525771986 15.999 > 5 37 O 0.10483343150469 0.44925052744097 0.99954525771986 15.999 > 5 38 O 0.60483343150469 0.44925052744097 0.99954525771986 15.999 > 5 39 O 0.10483343150469 0.94925052744097 0.99954525771986 15.999 > 5 40 O 0.60483343150469 0.94925052744097 0.99954525771986 15.999 > 5 41 O 0.39516656849531 0.44925052744097 0.25045474228014 15.999 > 6 42 O 0.89516656849531 0.44925052744097 0.25045474228014 15.999 > 6 43 O 0.39516656849531 0.94925052744097 0.25045474228014 15.999 > 6 44 O 0.89516656849531 0.94925052744097 0.25045474228014 15.999 > 6 45 O 0.39516656849531 0.44925052744097 0.75045474228014 15.999 > 6 46 O 0.89516656849531 0.44925052744097 0.75045474228014 15.999 > 6 47 O 0.39516656849531 0.94925052744097 0.75045474228014 15.999 > 6 48 O 0.89516656849531 0.94925052744097 0.75045474228014 15.999 > 6 49 O 0.10483343150469 0.05074947255903 0.24954525771986 15.999 > 7 50 O 0.60483343150469 0.05074947255903 0.24954525771986 15.999 > 7 51 O 0.10483343150469 0.55074947255903 0.24954525771986 15.999 > 7 52 O 0.60483343150469 0.55074947255903 0.24954525771986 15.999 > 7 53 O 0.10483343150469 0.05074947255903 0.74954525771986 15.999 > 7 54 O 0.60483343150469 0.05074947255903 0.74954525771986 15.999 > 7 55 O 0.10483343150469 0.55074947255903 0.74954525771986 15.999 > 7 56 O 0.60483343150469 0.55074947255903 0.74954525771986 15.999 > 7 57 O 0.39516656849531 0.05074947255903 0.00045474228014 15.999 > 8 58 O 0.89516656849531 0.05074947255903 0.00045474228014 15.999 > 8 59 O 0.39516656849531 0.55074947255903 0.00045474228014 15.999 > 8 60 O 0.89516656849531 0.55074947255903 0.00045474228014 15.999 > 8 61 O 0.39516656849531 0.05074947255903 0.50045474228014 15.999 > 8 62 O 0.89516656849531 0.05074947255903 0.50045474228014 15.999 > 8 63 O 0.39516656849531 0.55074947255903 0.50045474228014 15.999 > 8 64 O 0.89516656849531 0.55074947255903 0.50045474228014 15.999 > 8 *65 Na 0.00000000000000 0.19112085906732 0.12500000000000 22.990 > 9 66 Na 0.50000000000000 0.19112085906732 0.12500000000000 22.990 > 9 67 Na 0.00000000000000 0.69112085906732 0.12500000000000 22.990 > 9 68 Na 0.50000000000000 0.69112085906732 0.12500000000000 22.990 > 9 69 Na 0.00000000000000 0.19112085906732 0.62500000000000 22.990 > 9 70 Na 0.50000000000000 0.19112085906732 0.62500000000000 22.990 > 9 71 Na 0.00000000000000 0.69112085906732 0.62500000000000 22.990 > 9 72 Na 0.50000000000000 0.69112085906732 0.62500000000000 22.990 > 9 *73 Na 0.25000000000000 0.19825187514162 0.37500000000000 22.990 > 10 74 Na 0.75000000000000 0.19825187514162 0.37500000000000 22.990 > 10 75 Na 0.25000000000000 0.69825187514162 0.37500000000000 22.990 > 10 76 Na 0.75000000000000 0.69825187514162 0.37500000000000 22.990 > 10 77 Na 0.25000000000000 0.19825187514162 0.87500000000000 22.990 > 10 78 Na 0.75000000000000 0.19825187514162 0.87500000000000 22.990 > 10 79 Na 0.25000000000000 0.69825187514162 0.87500000000000 22.990 > 10 80 Na 0.75000000000000 0.69825187514162 0.87500000000000 22.990 > 10 *81 Na 0.25000000000000 0.06478169046262 0.12500000000000 22.990 > 11 82 Na 0.75000000000000 0.06478169046262 0.12500000000000 22.990 > 11 83 Na 0.25000000000000 0.56478169046262 0.12500000000000 22.990 > 11 84 Na 0.75000000000000 0.56478169046262 0.12500000000000 22.990 > 11 85 Na 0.25000000000000 0.06478169046262 0.62500000000000 22.990 > 11 86 Na 0.75000000000000 0.06478169046262 0.62500000000000 22.990 > 11 87 Na 0.25000000000000 0.56478169046262 0.62500000000000 22.990 > 11 88 Na 0.75000000000000 0.56478169046262 0.62500000000000 22.990 > 11 89 Na 0.25000000000000 0.43521830953738 0.37500000000000 22.990 > 12 90 Na 0.75000000000000 0.43521830953738 0.37500000000000 22.990 > 12 91 Na 0.25000000000000 0.93521830953738 0.37500000000000 22.990 > 12 92 Na 0.75000000000000 0.93521830953738 0.37500000000000 22.990 > 12 93 Na 0.25000000000000 0.43521830953738 0.87500000000000 22.990 > 12 94 Na 0.75000000000000 0.43521830953738 0.87500000000000 22.990 > 12 95 Na 0.25000000000000 0.93521830953738 0.87500000000000 22.990 > 12 96 Na 0.75000000000000 0.93521830953738 0.87500000000000 22.990 > 12 97 Na 0.00000000000000 0.30887914093268 0.37500000000000 22.990 > 13 98 Na 0.50000000000000 0.30887914093268 0.37500000000000 22.990 > 13 99 Na 0.00000000000000 0.80887914093268 0.37500000000000 22.990 > 13 100 Na 0.50000000000000 0.80887914093268 0.37500000000000 22.990 > 13 101 Na 0.00000000000000 0.30887914093268 0.87500000000000 22.990 > 13 102 Na 0.50000000000000 0.30887914093268 0.87500000000000 22.990 > 13 103 Na 0.00000000000000 0.80887914093268 0.87500000000000 22.990 > 13 104 Na 0.50000000000000 0.80887914093268 0.87500000000000 22.990 > 13 105 Na 0.25000000000000 0.30174812485838 0.12500000000000 22.990 > 14 106 Na 0.75000000000000 0.30174812485838 0.12500000000000 22.990 > 14 107 Na 0.25000000000000 0.80174812485838 0.12500000000000 22.990 > 14 108 Na 0.75000000000000 0.80174812485838 0.12500000000000 22.990 > 14 109 Na 0.25000000000000 0.30174812485838 0.62500000000000 22.990 > 14 110 Na 0.75000000000000 0.30174812485838 0.62500000000000 22.990 > 14 111 Na 0.25000000000000 0.80174812485838 0.62500000000000 22.990 > 14 112 Na 0.75000000000000 0.80174812485838 0.62500000000000 22.990 > 14 *113 Bi 0.00000000000000 0.43192971670310 0.12500000000000 208.980 > 15 114 Bi 0.50000000000000 0.43192971670310 0.12500000000000 208.980 > 15 115 Bi 0.00000000000000 0.93192971670310 0.12500000000000 208.980 > 15 116 Bi 0.50000000000000 0.93192971670310 0.12500000000000 208.980 > 15 117 Bi 0.00000000000000 0.43192971670310 0.62500000000000 208.980 > 15 118 Bi 0.50000000000000 0.43192971670310 0.62500000000000 208.980 > 15 119 Bi 0.00000000000000 0.93192971670310 0.62500000000000 208.980 > 15 120 Bi 0.50000000000000 0.93192971670310 0.62500000000000 208.980 > 15 121 Bi 0.00000000000000 0.06807028329690 0.37500000000000 208.980 > 16 122 Bi 0.50000000000000 0.06807028329690 0.37500000000000 208.980 > 16 123 Bi 0.00000000000000 0.56807028329690 0.37500000000000 208.980 > 16 124 Bi 0.50000000000000 0.56807028329690 0.37500000000000 208.980 > 16 125 Bi 0.00000000000000 0.06807028329690 0.87500000000000 208.980 > 16 126 Bi 0.50000000000000 0.06807028329690 0.87500000000000 208.980 > 16 127 Bi 0.00000000000000 0.56807028329690 0.87500000000000 208.980 > 16 128 Bi 0.50000000000000 0.56807028329690 0.87500000000000 208.980 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7545639 0.0000000 -0.1997667 0.0000000 4.1941722 0.0000000 -0.1997672 0.0000000 4.6823771 -------------------------- Born effective charges -------------------------- 1 O -1.5577398 0.3794404 -0.2456380 0.2930744 -1.9490270 0.3643009 -0.0833660 0.2131365 -1.7039367 2 O -1.5577398 -0.3794404 -0.2456380 -0.2930744 -1.9490270 -0.3643009 -0.0833660 -0.2131365 -1.7039367 3 O -1.5577398 0.3794404 -0.2456380 0.2930744 -1.9490270 0.3643009 -0.0833660 0.2131365 -1.7039367 4 O -1.5577398 -0.3794404 -0.2456380 -0.2930744 -1.9490270 -0.3643009 -0.0833660 -0.2131365 -1.7039367 5 O -1.6350587 -0.1003887 0.4959839 -0.0745999 -1.5779599 0.5039985 0.4260799 0.6313492 -2.3286769 6 O -1.6350587 0.1003887 0.4959839 0.0745999 -1.5779599 -0.5039985 0.4260799 -0.6313492 -2.3286769 7 O -1.6350587 0.1003887 0.4959839 0.0745999 -1.5779599 -0.5039985 0.4260799 -0.6313492 -2.3286769 8 O -1.6350587 -0.1003887 0.4959839 -0.0745999 -1.5779599 0.5039985 0.4260799 0.6313492 -2.3286769 9 Na 0.6976043 0.0000000 -0.1523704 0.0000000 1.2912872 0.0000000 -0.2354349 0.0000000 0.9618224 10 Na 1.2873451 0.0000000 0.1738157 0.0000000 1.3885657 0.0000000 0.3112140 0.0000000 1.0553589 11 Na 1.4060810 0.0000000 0.0969706 0.0000000 0.6824747 0.0000000 0.0630003 0.0000000 1.0842680 12 Na 1.4060810 0.0000000 0.0969706 0.0000000 0.6824747 0.0000000 0.0630003 0.0000000 1.0842680 13 Na 0.6976043 0.0000000 -0.1523704 0.0000000 1.2912872 0.0000000 -0.2354349 0.0000000 0.9618224 14 Na 1.2873451 0.0000000 0.1738157 0.0000000 1.3885657 0.0000000 0.3112140 0.0000000 1.0553589 15 Bi 2.9945665 0.0000000 -0.6191078 0.0000000 3.6916461 0.0000000 -0.8242072 0.0000000 4.9637777 16 Bi 2.9945665 0.0000000 -0.6191078 0.0000000 3.6916461 0.0000000 -0.8242072 0.0000000 4.9637777 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2464 Number of blocks in projector: 2464 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2464, 2427), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (480, 476), data: True |-- (480, 476), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 9), data: (544, 20) @ (20, 9) |-- (294, 285), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 1.010 Solver_block: 200 / 480 - Time: 0.901 Solver_block: 300 / 480 - Time: 0.914 Solver_block: 400 / 480 - Time: 0.845 Solver_block: 480 / 480 - Time: 0.741 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.692 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2464 Number of blocks in projector: 2464 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 239 eigenvectors found. (2) Block: 544 / 544 (2) 285 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 533 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2464, 2427), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (480, 476), data: True |-- (480, 476), data: True |-- (544, 533), data: False |-- (544, 533), data: False |-- (544, 9), data: (544, 20) @ (20, 9) |-- (294, 285), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:15:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:15:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.878286230782596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718812170000000 0.000000000000000 c -1.926935115486189 0.000000000000000 5.345442727598984 Atomic positions (fractional): 1 O 0.23679400092536 0.65322952725493 0.46888219752638 15.999 2 O 0.76320599907464 0.65322952725493 0.03111780247362 15.999 3 O 0.76320599907464 0.34677047274507 0.53111780247362 15.999 4 O 0.23679400092536 0.34677047274507 0.96888219752638 15.999 5 O 0.20966686300938 0.89850105488195 0.99909051543973 15.999 6 O 0.79033313699062 0.89850105488195 0.50090948456027 15.999 7 O 0.20966686300938 0.10149894511805 0.49909051543972 15.999 8 O 0.79033313699062 0.10149894511805 0.00090948456028 15.999 9 Na 0.00000000000000 0.38224171813464 0.25000000000000 22.990 10 Na 0.50000000000000 0.39650375028324 0.75000000000000 22.990 11 Na 0.50000000000000 0.12956338092524 0.25000000000000 22.990 12 Na 0.50000000000000 0.87043661907476 0.75000000000000 22.990 13 Na 0.00000000000000 0.61775828186536 0.75000000000000 22.990 14 Na 0.50000000000000 0.60349624971676 0.25000000000000 22.990 15 Bi 0.00000000000000 0.86385943340621 0.25000000000000 208.980 16 Bi 0.00000000000000 0.13614056659379 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.756572461565192 0.000000000000000 0.000000000000000 b 0.000000000000000 13.437624339999999 0.000000000000000 c -3.853870230972378 0.000000000000000 10.690885455197968 Atomic positions (fractional): 1 O 0.11839700046268 0.32661476362747 0.23444109876319 15.999 > 1 2 O 0.61839700046268 0.32661476362747 0.23444109876319 15.999 > 1 3 O 0.11839700046268 0.82661476362747 0.23444109876319 15.999 > 1 4 O 0.61839700046268 0.82661476362747 0.23444109876319 15.999 > 1 5 O 0.11839700046268 0.32661476362747 0.73444109876319 15.999 > 1 6 O 0.61839700046268 0.32661476362747 0.73444109876319 15.999 > 1 7 O 0.11839700046268 0.82661476362747 0.73444109876319 15.999 > 1 8 O 0.61839700046268 0.82661476362747 0.73444109876319 15.999 > 1 9 O 0.38160299953732 0.32661476362747 0.01555890123681 15.999 > 9 10 O 0.88160299953732 0.32661476362747 0.01555890123681 15.999 > 9 11 O 0.38160299953732 0.82661476362747 0.01555890123681 15.999 > 9 12 O 0.88160299953732 0.82661476362747 0.01555890123681 15.999 > 9 13 O 0.38160299953732 0.32661476362747 0.51555890123681 15.999 > 9 14 O 0.88160299953732 0.32661476362747 0.51555890123681 15.999 > 9 15 O 0.38160299953732 0.82661476362747 0.51555890123681 15.999 > 9 16 O 0.88160299953732 0.82661476362747 0.51555890123681 15.999 > 9 17 O 0.38160299953732 0.17338523637253 0.26555890123681 15.999 > 17 18 O 0.88160299953732 0.17338523637253 0.26555890123681 15.999 > 17 19 O 0.38160299953732 0.67338523637253 0.26555890123681 15.999 > 17 20 O 0.88160299953732 0.67338523637253 0.26555890123681 15.999 > 17 21 O 0.38160299953732 0.17338523637253 0.76555890123681 15.999 > 17 22 O 0.88160299953732 0.17338523637253 0.76555890123681 15.999 > 17 23 O 0.38160299953732 0.67338523637253 0.76555890123681 15.999 > 17 24 O 0.88160299953732 0.67338523637253 0.76555890123681 15.999 > 17 25 O 0.11839700046268 0.17338523637253 0.48444109876319 15.999 > 25 26 O 0.61839700046268 0.17338523637253 0.48444109876319 15.999 > 25 27 O 0.11839700046268 0.67338523637253 0.48444109876319 15.999 > 25 28 O 0.61839700046268 0.67338523637253 0.48444109876319 15.999 > 25 29 O 0.11839700046268 0.17338523637253 0.98444109876319 15.999 > 25 30 O 0.61839700046268 0.17338523637253 0.98444109876319 15.999 > 25 31 O 0.11839700046268 0.67338523637253 0.98444109876319 15.999 > 25 32 O 0.61839700046268 0.67338523637253 0.98444109876319 15.999 > 25 33 O 0.10483343150469 0.44925052744097 0.49954525771986 15.999 > 33 34 O 0.60483343150469 0.44925052744097 0.49954525771986 15.999 > 33 35 O 0.10483343150469 0.94925052744097 0.49954525771986 15.999 > 33 36 O 0.60483343150469 0.94925052744097 0.49954525771986 15.999 > 33 37 O 0.10483343150469 0.44925052744097 0.99954525771986 15.999 > 33 38 O 0.60483343150469 0.44925052744097 0.99954525771986 15.999 > 33 39 O 0.10483343150469 0.94925052744097 0.99954525771986 15.999 > 33 40 O 0.60483343150469 0.94925052744097 0.99954525771986 15.999 > 33 41 O 0.39516656849531 0.44925052744097 0.25045474228014 15.999 > 41 42 O 0.89516656849531 0.44925052744097 0.25045474228014 15.999 > 41 43 O 0.39516656849531 0.94925052744097 0.25045474228014 15.999 > 41 44 O 0.89516656849531 0.94925052744097 0.25045474228014 15.999 > 41 45 O 0.39516656849531 0.44925052744097 0.75045474228014 15.999 > 41 46 O 0.89516656849531 0.44925052744097 0.75045474228014 15.999 > 41 47 O 0.39516656849531 0.94925052744097 0.75045474228014 15.999 > 41 48 O 0.89516656849531 0.94925052744097 0.75045474228014 15.999 > 41 49 O 0.10483343150469 0.05074947255903 0.24954525771986 15.999 > 49 50 O 0.60483343150469 0.05074947255903 0.24954525771986 15.999 > 49 51 O 0.10483343150469 0.55074947255903 0.24954525771986 15.999 > 49 52 O 0.60483343150469 0.55074947255903 0.24954525771986 15.999 > 49 53 O 0.10483343150469 0.05074947255903 0.74954525771986 15.999 > 49 54 O 0.60483343150469 0.05074947255903 0.74954525771986 15.999 > 49 55 O 0.10483343150469 0.55074947255903 0.74954525771986 15.999 > 49 56 O 0.60483343150469 0.55074947255903 0.74954525771986 15.999 > 49 57 O 0.39516656849531 0.05074947255903 0.00045474228014 15.999 > 57 58 O 0.89516656849531 0.05074947255903 0.00045474228014 15.999 > 57 59 O 0.39516656849531 0.55074947255903 0.00045474228014 15.999 > 57 60 O 0.89516656849531 0.55074947255903 0.00045474228014 15.999 > 57 61 O 0.39516656849531 0.05074947255903 0.50045474228014 15.999 > 57 62 O 0.89516656849531 0.05074947255903 0.50045474228014 15.999 > 57 63 O 0.39516656849531 0.55074947255903 0.50045474228014 15.999 > 57 64 O 0.89516656849531 0.55074947255903 0.50045474228014 15.999 > 57 65 Na 0.00000000000000 0.19112085906732 0.12500000000000 22.990 > 65 66 Na 0.50000000000000 0.19112085906732 0.12500000000000 22.990 > 65 67 Na 0.00000000000000 0.69112085906732 0.12500000000000 22.990 > 65 68 Na 0.50000000000000 0.69112085906732 0.12500000000000 22.990 > 65 69 Na 0.00000000000000 0.19112085906732 0.62500000000000 22.990 > 65 70 Na 0.50000000000000 0.19112085906732 0.62500000000000 22.990 > 65 71 Na 0.00000000000000 0.69112085906732 0.62500000000000 22.990 > 65 72 Na 0.50000000000000 0.69112085906732 0.62500000000000 22.990 > 65 73 Na 0.25000000000000 0.19825187514162 0.37500000000000 22.990 > 73 74 Na 0.75000000000000 0.19825187514162 0.37500000000000 22.990 > 73 75 Na 0.25000000000000 0.69825187514162 0.37500000000000 22.990 > 73 76 Na 0.75000000000000 0.69825187514162 0.37500000000000 22.990 > 73 77 Na 0.25000000000000 0.19825187514162 0.87500000000000 22.990 > 73 78 Na 0.75000000000000 0.19825187514162 0.87500000000000 22.990 > 73 79 Na 0.25000000000000 0.69825187514162 0.87500000000000 22.990 > 73 80 Na 0.75000000000000 0.69825187514162 0.87500000000000 22.990 > 73 81 Na 0.25000000000000 0.06478169046262 0.12500000000000 22.990 > 81 82 Na 0.75000000000000 0.06478169046262 0.12500000000000 22.990 > 81 83 Na 0.25000000000000 0.56478169046262 0.12500000000000 22.990 > 81 84 Na 0.75000000000000 0.56478169046262 0.12500000000000 22.990 > 81 85 Na 0.25000000000000 0.06478169046262 0.62500000000000 22.990 > 81 86 Na 0.75000000000000 0.06478169046262 0.62500000000000 22.990 > 81 87 Na 0.25000000000000 0.56478169046262 0.62500000000000 22.990 > 81 88 Na 0.75000000000000 0.56478169046262 0.62500000000000 22.990 > 81 89 Na 0.25000000000000 0.43521830953738 0.37500000000000 22.990 > 89 90 Na 0.75000000000000 0.43521830953738 0.37500000000000 22.990 > 89 91 Na 0.25000000000000 0.93521830953738 0.37500000000000 22.990 > 89 92 Na 0.75000000000000 0.93521830953738 0.37500000000000 22.990 > 89 93 Na 0.25000000000000 0.43521830953738 0.87500000000000 22.990 > 89 94 Na 0.75000000000000 0.43521830953738 0.87500000000000 22.990 > 89 95 Na 0.25000000000000 0.93521830953738 0.87500000000000 22.990 > 89 96 Na 0.75000000000000 0.93521830953738 0.87500000000000 22.990 > 89 97 Na 0.00000000000000 0.30887914093268 0.37500000000000 22.990 > 97 98 Na 0.50000000000000 0.30887914093268 0.37500000000000 22.990 > 97 99 Na 0.00000000000000 0.80887914093268 0.37500000000000 22.990 > 97 100 Na 0.50000000000000 0.80887914093268 0.37500000000000 22.990 > 97 101 Na 0.00000000000000 0.30887914093268 0.87500000000000 22.990 > 97 102 Na 0.50000000000000 0.30887914093268 0.87500000000000 22.990 > 97 103 Na 0.00000000000000 0.80887914093268 0.87500000000000 22.990 > 97 104 Na 0.50000000000000 0.80887914093268 0.87500000000000 22.990 > 97 105 Na 0.25000000000000 0.30174812485838 0.12500000000000 22.990 > 105 106 Na 0.75000000000000 0.30174812485838 0.12500000000000 22.990 > 105 107 Na 0.25000000000000 0.80174812485838 0.12500000000000 22.990 > 105 108 Na 0.75000000000000 0.80174812485838 0.12500000000000 22.990 > 105 109 Na 0.25000000000000 0.30174812485838 0.62500000000000 22.990 > 105 110 Na 0.75000000000000 0.30174812485838 0.62500000000000 22.990 > 105 111 Na 0.25000000000000 0.80174812485838 0.62500000000000 22.990 > 105 112 Na 0.75000000000000 0.80174812485838 0.62500000000000 22.990 > 105 113 Bi 0.00000000000000 0.43192971670310 0.12500000000000 208.980 > 113 114 Bi 0.50000000000000 0.43192971670310 0.12500000000000 208.980 > 113 115 Bi 0.00000000000000 0.93192971670310 0.12500000000000 208.980 > 113 116 Bi 0.50000000000000 0.93192971670310 0.12500000000000 208.980 > 113 117 Bi 0.00000000000000 0.43192971670310 0.62500000000000 208.980 > 113 118 Bi 0.50000000000000 0.43192971670310 0.62500000000000 208.980 > 113 119 Bi 0.00000000000000 0.93192971670310 0.62500000000000 208.980 > 113 120 Bi 0.50000000000000 0.93192971670310 0.62500000000000 208.980 > 113 121 Bi 0.00000000000000 0.06807028329690 0.37500000000000 208.980 > 121 122 Bi 0.50000000000000 0.06807028329690 0.37500000000000 208.980 > 121 123 Bi 0.00000000000000 0.56807028329690 0.37500000000000 208.980 > 121 124 Bi 0.50000000000000 0.56807028329690 0.37500000000000 208.980 > 121 125 Bi 0.00000000000000 0.06807028329690 0.87500000000000 208.980 > 121 126 Bi 0.50000000000000 0.06807028329690 0.87500000000000 208.980 > 121 127 Bi 0.00000000000000 0.56807028329690 0.87500000000000 208.980 > 121 128 Bi 0.50000000000000 0.56807028329690 0.87500000000000 208.980 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7545639 0.0000000 -0.1997667 0.0000000 4.1941722 0.0000000 -0.1997672 0.0000000 4.6823771 -------------------------- Born effective charges -------------------------- 1 O -1.5577398 0.3794404 -0.2456380 0.2930744 -1.9490270 0.3643009 -0.0833660 0.2131365 -1.7039367 2 O -1.5577398 -0.3794404 -0.2456380 -0.2930744 -1.9490270 -0.3643009 -0.0833660 -0.2131365 -1.7039367 3 O -1.5577398 0.3794404 -0.2456380 0.2930744 -1.9490270 0.3643009 -0.0833660 0.2131365 -1.7039367 4 O -1.5577398 -0.3794404 -0.2456380 -0.2930744 -1.9490270 -0.3643009 -0.0833660 -0.2131365 -1.7039367 5 O -1.6350587 -0.1003887 0.4959839 -0.0745999 -1.5779599 0.5039985 0.4260799 0.6313492 -2.3286769 6 O -1.6350587 0.1003887 0.4959839 0.0745999 -1.5779599 -0.5039985 0.4260799 -0.6313492 -2.3286769 7 O -1.6350587 0.1003887 0.4959839 0.0745999 -1.5779599 -0.5039985 0.4260799 -0.6313492 -2.3286769 8 O -1.6350587 -0.1003887 0.4959839 -0.0745999 -1.5779599 0.5039985 0.4260799 0.6313492 -2.3286769 9 Na 0.6976043 0.0000000 -0.1523704 0.0000000 1.2912872 0.0000000 -0.2354349 0.0000000 0.9618224 10 Na 1.2873451 0.0000000 0.1738157 0.0000000 1.3885657 0.0000000 0.3112140 0.0000000 1.0553589 11 Na 1.4060810 0.0000000 0.0969706 0.0000000 0.6824747 0.0000000 0.0630003 0.0000000 1.0842680 12 Na 1.4060810 0.0000000 0.0969706 0.0000000 0.6824747 0.0000000 0.0630003 0.0000000 1.0842680 13 Na 0.6976043 0.0000000 -0.1523704 0.0000000 1.2912872 0.0000000 -0.2354349 0.0000000 0.9618224 14 Na 1.2873451 0.0000000 0.1738157 0.0000000 1.3885657 0.0000000 0.3112140 0.0000000 1.0553589 15 Bi 2.9945665 0.0000000 -0.6191078 0.0000000 3.6916461 0.0000000 -0.8242072 0.0000000 4.9637777 16 Bi 2.9945665 0.0000000 -0.6191078 0.0000000 3.6916461 0.0000000 -0.8242072 0.0000000 4.9637777 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 113, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:16:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:16:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.878286230782596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718812170000000 0.000000000000000 c -1.926935115486189 0.000000000000000 5.345442727598984 Atomic positions (fractional): 1 O 0.23679400092536 0.65322952725493 0.46888219752638 15.999 2 O 0.76320599907464 0.65322952725493 0.03111780247362 15.999 3 O 0.76320599907464 0.34677047274507 0.53111780247362 15.999 4 O 0.23679400092536 0.34677047274507 0.96888219752638 15.999 5 O 0.20966686300938 0.89850105488195 0.99909051543973 15.999 6 O 0.79033313699062 0.89850105488195 0.50090948456027 15.999 7 O 0.20966686300938 0.10149894511805 0.49909051543972 15.999 8 O 0.79033313699062 0.10149894511805 0.00090948456028 15.999 9 Na 0.00000000000000 0.38224171813464 0.25000000000000 22.990 10 Na 0.50000000000000 0.39650375028324 0.75000000000000 22.990 11 Na 0.50000000000000 0.12956338092524 0.25000000000000 22.990 12 Na 0.50000000000000 0.87043661907476 0.75000000000000 22.990 13 Na 0.00000000000000 0.61775828186536 0.75000000000000 22.990 14 Na 0.50000000000000 0.60349624971676 0.25000000000000 22.990 15 Bi 0.00000000000000 0.86385943340621 0.25000000000000 208.980 16 Bi 0.00000000000000 0.13614056659379 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.756572461565192 0.000000000000000 0.000000000000000 b 0.000000000000000 13.437624339999999 0.000000000000000 c -3.853870230972378 0.000000000000000 10.690885455197968 Atomic positions (fractional): 1 O 0.11839700046268 0.32661476362747 0.23444109876319 15.999 > 1 2 O 0.61839700046268 0.32661476362747 0.23444109876319 15.999 > 1 3 O 0.11839700046268 0.82661476362747 0.23444109876319 15.999 > 1 4 O 0.61839700046268 0.82661476362747 0.23444109876319 15.999 > 1 5 O 0.11839700046268 0.32661476362747 0.73444109876319 15.999 > 1 6 O 0.61839700046268 0.32661476362747 0.73444109876319 15.999 > 1 7 O 0.11839700046268 0.82661476362747 0.73444109876319 15.999 > 1 8 O 0.61839700046268 0.82661476362747 0.73444109876319 15.999 > 1 9 O 0.38160299953732 0.32661476362747 0.01555890123681 15.999 > 9 10 O 0.88160299953732 0.32661476362747 0.01555890123681 15.999 > 9 11 O 0.38160299953732 0.82661476362747 0.01555890123681 15.999 > 9 12 O 0.88160299953732 0.82661476362747 0.01555890123681 15.999 > 9 13 O 0.38160299953732 0.32661476362747 0.51555890123681 15.999 > 9 14 O 0.88160299953732 0.32661476362747 0.51555890123681 15.999 > 9 15 O 0.38160299953732 0.82661476362747 0.51555890123681 15.999 > 9 16 O 0.88160299953732 0.82661476362747 0.51555890123681 15.999 > 9 17 O 0.38160299953732 0.17338523637253 0.26555890123681 15.999 > 17 18 O 0.88160299953732 0.17338523637253 0.26555890123681 15.999 > 17 19 O 0.38160299953732 0.67338523637253 0.26555890123681 15.999 > 17 20 O 0.88160299953732 0.67338523637253 0.26555890123681 15.999 > 17 21 O 0.38160299953732 0.17338523637253 0.76555890123681 15.999 > 17 22 O 0.88160299953732 0.17338523637253 0.76555890123681 15.999 > 17 23 O 0.38160299953732 0.67338523637253 0.76555890123681 15.999 > 17 24 O 0.88160299953732 0.67338523637253 0.76555890123681 15.999 > 17 25 O 0.11839700046268 0.17338523637253 0.48444109876319 15.999 > 25 26 O 0.61839700046268 0.17338523637253 0.48444109876319 15.999 > 25 27 O 0.11839700046268 0.67338523637253 0.48444109876319 15.999 > 25 28 O 0.61839700046268 0.67338523637253 0.48444109876319 15.999 > 25 29 O 0.11839700046268 0.17338523637253 0.98444109876319 15.999 > 25 30 O 0.61839700046268 0.17338523637253 0.98444109876319 15.999 > 25 31 O 0.11839700046268 0.67338523637253 0.98444109876319 15.999 > 25 32 O 0.61839700046268 0.67338523637253 0.98444109876319 15.999 > 25 33 O 0.10483343150469 0.44925052744097 0.49954525771986 15.999 > 33 34 O 0.60483343150469 0.44925052744097 0.49954525771986 15.999 > 33 35 O 0.10483343150469 0.94925052744097 0.49954525771986 15.999 > 33 36 O 0.60483343150469 0.94925052744097 0.49954525771986 15.999 > 33 37 O 0.10483343150469 0.44925052744097 0.99954525771986 15.999 > 33 38 O 0.60483343150469 0.44925052744097 0.99954525771986 15.999 > 33 39 O 0.10483343150469 0.94925052744097 0.99954525771986 15.999 > 33 40 O 0.60483343150469 0.94925052744097 0.99954525771986 15.999 > 33 41 O 0.39516656849531 0.44925052744097 0.25045474228014 15.999 > 41 42 O 0.89516656849531 0.44925052744097 0.25045474228014 15.999 > 41 43 O 0.39516656849531 0.94925052744097 0.25045474228014 15.999 > 41 44 O 0.89516656849531 0.94925052744097 0.25045474228014 15.999 > 41 45 O 0.39516656849531 0.44925052744097 0.75045474228014 15.999 > 41 46 O 0.89516656849531 0.44925052744097 0.75045474228014 15.999 > 41 47 O 0.39516656849531 0.94925052744097 0.75045474228014 15.999 > 41 48 O 0.89516656849531 0.94925052744097 0.75045474228014 15.999 > 41 49 O 0.10483343150469 0.05074947255903 0.24954525771986 15.999 > 49 50 O 0.60483343150469 0.05074947255903 0.24954525771986 15.999 > 49 51 O 0.10483343150469 0.55074947255903 0.24954525771986 15.999 > 49 52 O 0.60483343150469 0.55074947255903 0.24954525771986 15.999 > 49 53 O 0.10483343150469 0.05074947255903 0.74954525771986 15.999 > 49 54 O 0.60483343150469 0.05074947255903 0.74954525771986 15.999 > 49 55 O 0.10483343150469 0.55074947255903 0.74954525771986 15.999 > 49 56 O 0.60483343150469 0.55074947255903 0.74954525771986 15.999 > 49 57 O 0.39516656849531 0.05074947255903 0.00045474228014 15.999 > 57 58 O 0.89516656849531 0.05074947255903 0.00045474228014 15.999 > 57 59 O 0.39516656849531 0.55074947255903 0.00045474228014 15.999 > 57 60 O 0.89516656849531 0.55074947255903 0.00045474228014 15.999 > 57 61 O 0.39516656849531 0.05074947255903 0.50045474228014 15.999 > 57 62 O 0.89516656849531 0.05074947255903 0.50045474228014 15.999 > 57 63 O 0.39516656849531 0.55074947255903 0.50045474228014 15.999 > 57 64 O 0.89516656849531 0.55074947255903 0.50045474228014 15.999 > 57 65 Na 0.00000000000000 0.19112085906732 0.12500000000000 22.990 > 65 66 Na 0.50000000000000 0.19112085906732 0.12500000000000 22.990 > 65 67 Na 0.00000000000000 0.69112085906732 0.12500000000000 22.990 > 65 68 Na 0.50000000000000 0.69112085906732 0.12500000000000 22.990 > 65 69 Na 0.00000000000000 0.19112085906732 0.62500000000000 22.990 > 65 70 Na 0.50000000000000 0.19112085906732 0.62500000000000 22.990 > 65 71 Na 0.00000000000000 0.69112085906732 0.62500000000000 22.990 > 65 72 Na 0.50000000000000 0.69112085906732 0.62500000000000 22.990 > 65 73 Na 0.25000000000000 0.19825187514162 0.37500000000000 22.990 > 73 74 Na 0.75000000000000 0.19825187514162 0.37500000000000 22.990 > 73 75 Na 0.25000000000000 0.69825187514162 0.37500000000000 22.990 > 73 76 Na 0.75000000000000 0.69825187514162 0.37500000000000 22.990 > 73 77 Na 0.25000000000000 0.19825187514162 0.87500000000000 22.990 > 73 78 Na 0.75000000000000 0.19825187514162 0.87500000000000 22.990 > 73 79 Na 0.25000000000000 0.69825187514162 0.87500000000000 22.990 > 73 80 Na 0.75000000000000 0.69825187514162 0.87500000000000 22.990 > 73 81 Na 0.25000000000000 0.06478169046262 0.12500000000000 22.990 > 81 82 Na 0.75000000000000 0.06478169046262 0.12500000000000 22.990 > 81 83 Na 0.25000000000000 0.56478169046262 0.12500000000000 22.990 > 81 84 Na 0.75000000000000 0.56478169046262 0.12500000000000 22.990 > 81 85 Na 0.25000000000000 0.06478169046262 0.62500000000000 22.990 > 81 86 Na 0.75000000000000 0.06478169046262 0.62500000000000 22.990 > 81 87 Na 0.25000000000000 0.56478169046262 0.62500000000000 22.990 > 81 88 Na 0.75000000000000 0.56478169046262 0.62500000000000 22.990 > 81 89 Na 0.25000000000000 0.43521830953738 0.37500000000000 22.990 > 89 90 Na 0.75000000000000 0.43521830953738 0.37500000000000 22.990 > 89 91 Na 0.25000000000000 0.93521830953738 0.37500000000000 22.990 > 89 92 Na 0.75000000000000 0.93521830953738 0.37500000000000 22.990 > 89 93 Na 0.25000000000000 0.43521830953738 0.87500000000000 22.990 > 89 94 Na 0.75000000000000 0.43521830953738 0.87500000000000 22.990 > 89 95 Na 0.25000000000000 0.93521830953738 0.87500000000000 22.990 > 89 96 Na 0.75000000000000 0.93521830953738 0.87500000000000 22.990 > 89 97 Na 0.00000000000000 0.30887914093268 0.37500000000000 22.990 > 97 98 Na 0.50000000000000 0.30887914093268 0.37500000000000 22.990 > 97 99 Na 0.00000000000000 0.80887914093268 0.37500000000000 22.990 > 97 100 Na 0.50000000000000 0.80887914093268 0.37500000000000 22.990 > 97 101 Na 0.00000000000000 0.30887914093268 0.87500000000000 22.990 > 97 102 Na 0.50000000000000 0.30887914093268 0.87500000000000 22.990 > 97 103 Na 0.00000000000000 0.80887914093268 0.87500000000000 22.990 > 97 104 Na 0.50000000000000 0.80887914093268 0.87500000000000 22.990 > 97 105 Na 0.25000000000000 0.30174812485838 0.12500000000000 22.990 > 105 106 Na 0.75000000000000 0.30174812485838 0.12500000000000 22.990 > 105 107 Na 0.25000000000000 0.80174812485838 0.12500000000000 22.990 > 105 108 Na 0.75000000000000 0.80174812485838 0.12500000000000 22.990 > 105 109 Na 0.25000000000000 0.30174812485838 0.62500000000000 22.990 > 105 110 Na 0.75000000000000 0.30174812485838 0.62500000000000 22.990 > 105 111 Na 0.25000000000000 0.80174812485838 0.62500000000000 22.990 > 105 112 Na 0.75000000000000 0.80174812485838 0.62500000000000 22.990 > 105 113 Bi 0.00000000000000 0.43192971670310 0.12500000000000 208.980 > 113 114 Bi 0.50000000000000 0.43192971670310 0.12500000000000 208.980 > 113 115 Bi 0.00000000000000 0.93192971670310 0.12500000000000 208.980 > 113 116 Bi 0.50000000000000 0.93192971670310 0.12500000000000 208.980 > 113 117 Bi 0.00000000000000 0.43192971670310 0.62500000000000 208.980 > 113 118 Bi 0.50000000000000 0.43192971670310 0.62500000000000 208.980 > 113 119 Bi 0.00000000000000 0.93192971670310 0.62500000000000 208.980 > 113 120 Bi 0.50000000000000 0.93192971670310 0.62500000000000 208.980 > 113 121 Bi 0.00000000000000 0.06807028329690 0.37500000000000 208.980 > 121 122 Bi 0.50000000000000 0.06807028329690 0.37500000000000 208.980 > 121 123 Bi 0.00000000000000 0.56807028329690 0.37500000000000 208.980 > 121 124 Bi 0.50000000000000 0.56807028329690 0.37500000000000 208.980 > 121 125 Bi 0.00000000000000 0.06807028329690 0.87500000000000 208.980 > 121 126 Bi 0.50000000000000 0.06807028329690 0.87500000000000 208.980 > 121 127 Bi 0.00000000000000 0.56807028329690 0.87500000000000 208.980 > 121 128 Bi 0.50000000000000 0.56807028329690 0.87500000000000 208.980 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7545639 0.0000000 -0.1997667 0.0000000 4.1941722 0.0000000 -0.1997672 0.0000000 4.6823771 -------------------------- Born effective charges -------------------------- 1 O -1.5577398 0.3794404 -0.2456380 0.2930744 -1.9490270 0.3643009 -0.0833660 0.2131365 -1.7039367 2 O -1.5577398 -0.3794404 -0.2456380 -0.2930744 -1.9490270 -0.3643009 -0.0833660 -0.2131365 -1.7039367 3 O -1.5577398 0.3794404 -0.2456380 0.2930744 -1.9490270 0.3643009 -0.0833660 0.2131365 -1.7039367 4 O -1.5577398 -0.3794404 -0.2456380 -0.2930744 -1.9490270 -0.3643009 -0.0833660 -0.2131365 -1.7039367 5 O -1.6350587 -0.1003887 0.4959839 -0.0745999 -1.5779599 0.5039985 0.4260799 0.6313492 -2.3286769 6 O -1.6350587 0.1003887 0.4959839 0.0745999 -1.5779599 -0.5039985 0.4260799 -0.6313492 -2.3286769 7 O -1.6350587 0.1003887 0.4959839 0.0745999 -1.5779599 -0.5039985 0.4260799 -0.6313492 -2.3286769 8 O -1.6350587 -0.1003887 0.4959839 -0.0745999 -1.5779599 0.5039985 0.4260799 0.6313492 -2.3286769 9 Na 0.6976043 0.0000000 -0.1523704 0.0000000 1.2912872 0.0000000 -0.2354349 0.0000000 0.9618224 10 Na 1.2873451 0.0000000 0.1738157 0.0000000 1.3885657 0.0000000 0.3112140 0.0000000 1.0553589 11 Na 1.4060810 0.0000000 0.0969706 0.0000000 0.6824747 0.0000000 0.0630003 0.0000000 1.0842680 12 Na 1.4060810 0.0000000 0.0969706 0.0000000 0.6824747 0.0000000 0.0630003 0.0000000 1.0842680 13 Na 0.6976043 0.0000000 -0.1523704 0.0000000 1.2912872 0.0000000 -0.2354349 0.0000000 0.9618224 14 Na 1.2873451 0.0000000 0.1738157 0.0000000 1.3885657 0.0000000 0.3112140 0.0000000 1.0553589 15 Bi 2.9945665 0.0000000 -0.6191078 0.0000000 3.6916461 0.0000000 -0.8242072 0.0000000 4.9637777 16 Bi 2.9945665 0.0000000 -0.6191078 0.0000000 3.6916461 0.0000000 -0.8242072 0.0000000 4.9637777 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 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: 0.70, Number of G-points: 291, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.412 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 9.060 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 13.797 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 15.344 ( 0.000 0.000 0.000) 0.000 15.419 ( 0.000 0.000 0.000) 0.000 16.440 ( 0.000 0.000 0.000) 0.000 17.048 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/164) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 23.878 0.000 2.551) 24.014 0.537 ( 23.388 0.000 11.601) 26.108 0.940 ( 40.026 0.000 22.736) 46.032 2.693 ( 4.750 0.000 2.086) 5.187 2.927 ( -5.331 0.000 11.150) 12.359 3.469 ( -5.695 0.000 -1.760) 5.960 3.831 ( -2.191 0.000 -2.070) 3.014 3.927 ( -1.209 0.000 0.682) 1.389 3.983 ( 1.608 0.000 4.355) 4.642 4.203 ( 1.699 0.000 -0.898) 1.921 4.420 ( -0.747 0.000 -0.221) 0.779 4.922 ( 2.886 0.000 1.235) 3.139 4.968 ( 3.202 0.000 -11.516) 11.953 5.277 ( -4.613 0.000 0.251) 4.620 5.758 ( -4.670 0.000 -0.848) 4.747 5.810 ( -11.403 0.000 0.866) 11.435 6.010 ( 0.008 0.000 -1.083) 1.083 6.281 ( 2.162 0.000 6.388) 6.744 6.436 ( 0.737 0.000 3.178) 3.262 7.029 ( -2.749 0.000 -0.728) 2.843 7.323 ( -1.082 0.000 2.485) 2.710 7.395 ( -0.912 0.000 -2.237) 2.416 7.449 ( 0.919 0.000 11.242) 11.279 7.519 ( 3.222 0.000 12.478) 12.887 7.845 ( 1.567 0.000 0.105) 1.570 7.956 ( -2.215 0.000 -1.649) 2.761 8.079 ( -1.345 0.000 -4.847) 5.030 8.158 ( 13.419 0.000 -7.951) 15.598 9.121 ( 7.551 0.000 -23.757) 24.928 9.429 ( -2.157 0.000 -0.415) 2.197 9.471 ( -3.767 0.000 -0.644) 3.822 9.845 ( -1.267 0.000 -0.644) 1.421 10.061 ( -2.107 0.000 1.525) 2.601 10.156 ( -21.706 0.000 15.256) 26.531 10.833 ( 6.169 0.000 15.811) 16.972 11.105 ( -0.961 0.000 0.457) 1.064 11.745 ( 1.085 0.000 5.316) 5.425 11.994 ( -3.976 0.000 1.686) 4.319 12.385 ( -0.924 0.000 -4.639) 4.730 12.636 ( 5.878 0.000 -3.429) 6.805 13.235 ( 27.457 0.000 -59.347) 65.391 13.775 ( -2.154 0.000 2.202) 3.081 14.142 ( -1.212 0.000 2.088) 2.414 14.224 ( 3.613 0.000 -2.323) 4.296 15.423 ( -1.107 0.000 4.196) 4.339 16.440 ( 0.480 0.000 -1.400) 1.480 16.873 ( -11.312 0.000 24.849) 27.303 17.075 ( 0.519 0.000 5.172) 5.198 ======================= Grid point 2 (3/164) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 21.421 0.000 3.058) 21.639 1.026 ( 19.925 0.000 10.504) 22.524 1.789 ( 33.640 0.000 19.145) 38.707 2.816 ( 5.550 0.000 2.484) 6.080 2.887 ( -4.146 0.000 3.483) 5.415 3.318 ( -7.772 0.000 -2.755) 8.246 3.767 ( -2.270 0.000 -3.280) 3.989 3.900 ( -2.316 0.000 1.434) 2.724 4.049 ( 1.091 0.000 5.366) 5.476 4.246 ( 3.121 0.000 0.904) 3.250 4.405 ( -0.661 0.000 0.807) 1.044 4.938 ( 0.417 0.000 -7.330) 7.342 4.980 ( 0.593 0.000 1.480) 1.594 5.194 ( -2.487 0.000 0.780) 2.606 5.565 ( -12.641 0.000 4.787) 13.517 5.696 ( -5.159 0.000 1.200) 5.297 6.018 ( 1.565 0.000 -0.684) 1.708 6.290 ( -1.368 0.000 -3.805) 4.044 6.495 ( 1.885 0.000 7.156) 7.400 6.934 ( -6.263 0.000 -1.220) 6.381 7.319 ( -3.968 0.000 -2.296) 4.584 7.355 ( 1.988 0.000 0.964) 2.209 7.637 ( 8.607 0.000 10.775) 13.790 7.681 ( 2.681 0.000 14.319) 14.568 7.875 ( 0.684 0.000 2.849) 2.930 7.888 ( -3.514 0.000 -1.782) 3.940 8.006 ( 0.723 0.000 -10.444) 10.469 8.384 ( 16.518 0.000 -11.277) 20.001 9.068 ( -1.708 0.000 -9.111) 9.270 9.367 ( -6.817 0.000 0.037) 6.817 9.401 ( -0.124 0.000 0.147) 0.192 9.804 ( -2.202 0.000 -1.372) 2.595 9.859 ( -14.350 0.000 -0.527) 14.360 10.017 ( -3.741 0.000 1.936) 4.212 11.024 ( 4.269 0.000 10.379) 11.222 11.098 ( -0.091 0.000 1.193) 1.196 11.815 ( 2.527 0.000 3.989) 4.722 11.942 ( -2.599 0.000 2.816) 3.832 12.330 ( -0.710 0.000 -6.056) 6.098 12.688 ( 1.753 0.000 -5.794) 6.053 13.388 ( 18.945 0.000 -25.704) 31.932 13.788 ( 2.127 0.000 3.652) 4.227 14.122 ( -3.333 0.000 4.028) 5.228 14.272 ( 3.127 0.000 -3.681) 4.830 15.433 ( -1.819 0.000 6.638) 6.883 16.438 ( 0.719 0.000 -2.249) 2.361 16.825 ( -5.713 0.000 8.984) 10.647 17.124 ( 0.895 0.000 4.707) 4.791 ======================= Grid point 3 (4/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 16.440 0.000 3.050) 16.720 1.415 ( 14.067 0.000 8.007) 16.186 2.428 ( 21.309 0.000 12.646) 24.779 2.822 ( -3.915 0.000 0.362) 3.932 2.884 ( -0.841 0.000 0.813) 1.169 3.187 ( -2.863 0.000 -2.193) 3.607 3.714 ( -0.706 0.000 -3.408) 3.480 3.862 ( -2.695 0.000 1.761) 3.219 4.078 ( -0.896 0.000 2.826) 2.964 4.351 ( 7.967 0.000 0.593) 7.989 4.413 ( 0.088 0.000 2.306) 2.307 4.887 ( -1.728 0.000 -3.920) 4.284 4.944 ( -3.564 0.000 1.401) 3.830 5.226 ( 3.445 0.000 0.963) 3.577 5.378 ( -11.043 0.000 5.801) 12.474 5.616 ( -4.167 0.000 2.218) 4.720 6.058 ( 2.670 0.000 0.133) 2.674 6.217 ( -1.917 0.000 -6.238) 6.526 6.612 ( 4.071 0.000 11.112) 11.834 6.796 ( -6.678 0.000 -1.575) 6.862 7.205 ( -5.207 0.000 -6.976) 8.705 7.375 ( -0.862 0.000 0.361) 0.935 7.673 ( -6.160 0.000 -0.710) 6.201 7.786 ( -2.683 0.000 0.224) 2.692 7.908 ( 9.130 0.000 7.161) 11.603 7.935 ( 3.524 0.000 -4.374) 5.617 8.087 ( 8.030 0.000 12.569) 14.915 8.603 ( 13.976 0.000 -10.451) 17.451 8.944 ( -4.950 0.000 -7.280) 8.803 9.222 ( -8.680 0.000 1.406) 8.793 9.418 ( 0.100 0.000 2.498) 2.500 9.623 ( -7.956 0.000 -5.362) 9.594 9.753 ( -1.668 0.000 -1.995) 2.601 9.950 ( -4.355 0.000 1.794) 4.710 11.119 ( 1.057 0.000 1.412) 1.764 11.137 ( 1.994 0.000 6.032) 6.353 11.881 ( 1.787 0.000 2.647) 3.194 11.944 ( 0.421 0.000 3.670) 3.694 12.285 ( 0.021 0.000 -4.731) 4.731 12.619 ( -3.858 0.000 -6.135) 7.247 13.586 ( 16.214 0.000 -14.931) 22.042 13.901 ( 6.340 0.000 3.881) 7.433 14.064 ( -6.537 0.000 5.790) 8.732 14.280 ( 0.482 0.000 -4.108) 4.136 15.443 ( -1.739 0.000 6.039) 6.284 16.436 ( 0.621 0.000 -2.083) 2.174 16.785 ( -3.138 0.000 3.990) 5.076 17.168 ( 0.791 0.000 3.024) 3.126 ======================= Grid point 4 (5/164) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 6.790 0.000 1.463) 6.946 1.643 ( 5.326 0.000 3.206) 6.216 2.746 ( 6.647 0.000 3.292) 7.418 2.761 ( -2.004 0.000 0.594) 2.090 2.825 ( -3.022 0.000 -0.440) 3.054 3.171 ( 0.596 0.000 -0.571) 0.826 3.693 ( 0.123 0.000 -1.646) 1.650 3.831 ( -1.323 0.000 0.901) 1.601 4.071 ( -0.664 0.000 0.744) 0.997 4.426 ( -0.112 0.000 1.138) 1.143 4.537 ( 9.316 0.000 -0.205) 9.318 4.815 ( -4.059 0.000 -0.462) 4.085 4.907 ( -1.125 0.000 0.812) 1.387 5.239 ( -5.825 0.000 2.922) 6.517 5.285 ( 1.700 0.000 0.315) 1.729 5.574 ( -1.382 0.000 0.866) 1.631 6.106 ( 1.633 0.000 0.328) 1.666 6.156 ( -0.757 0.000 -2.963) 3.058 6.685 ( -3.334 0.000 -0.345) 3.352 6.798 ( 6.567 0.000 11.810) 13.513 7.025 ( -6.969 0.000 -10.739) 12.802 7.331 ( -2.368 0.000 -0.423) 2.405 7.582 ( -1.740 0.000 -1.290) 2.166 7.738 ( -1.226 0.000 -0.549) 1.344 7.954 ( 1.071 0.000 -1.762) 2.061 8.101 ( 4.974 0.000 3.824) 6.274 8.332 ( 6.436 0.000 9.902) 11.810 8.749 ( 6.497 0.000 -5.484) 8.502 8.799 ( -4.267 0.000 -6.236) 7.556 9.086 ( -5.546 0.000 1.687) 5.797 9.408 ( -2.383 0.000 1.856) 3.020 9.516 ( -0.392 0.000 -3.243) 3.267 9.722 ( -0.418 0.000 -1.190) 1.261 9.893 ( -2.238 0.000 0.950) 2.431 11.145 ( 0.636 0.000 0.607) 0.879 11.187 ( 0.537 0.000 1.988) 2.059 11.915 ( 0.530 0.000 0.905) 1.049 11.991 ( 1.406 0.000 2.328) 2.720 12.266 ( 0.189 0.000 -1.743) 1.753 12.507 ( -3.124 0.000 -3.189) 4.464 13.785 ( 13.559 0.000 -10.150) 16.938 13.951 ( -10.210 0.000 7.601) 12.728 14.041 ( 4.719 0.000 2.709) 5.441 14.238 ( -1.719 0.000 -2.889) 3.362 15.448 ( -0.727 0.000 2.435) 2.541 16.434 ( 0.244 0.000 -0.850) 0.884 16.763 ( -1.019 0.000 1.183) 1.561 17.192 ( 0.311 0.000 1.037) 1.083 ======================= Grid point 9 (6/164) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 22.722 0.000) 22.722 0.637 ( 0.000 29.226 0.000) 29.226 1.009 ( 0.000 45.521 0.000) 45.521 2.529 ( 0.000 -8.349 0.000) 8.349 2.893 ( 0.000 4.970 0.000) 4.970 3.572 ( 0.000 -3.949 0.000) 3.949 3.896 ( 0.000 -0.301 0.000) 0.301 3.916 ( 0.000 4.049 0.000) 4.049 3.925 ( 0.000 -2.785 0.000) 2.785 4.203 ( 0.000 -16.277 0.000) 16.277 4.235 ( 0.000 11.117 0.000) 11.117 4.737 ( 0.000 -9.816 0.000) 9.816 5.107 ( 0.000 8.898 0.000) 8.898 5.297 ( 0.000 -0.473 0.000) 0.473 5.767 ( 0.000 -1.554 0.000) 1.554 5.931 ( 0.000 -5.203 0.000) 5.203 6.115 ( 0.000 -5.050 0.000) 5.050 6.250 ( 0.000 8.378 0.000) 8.378 6.454 ( 0.000 3.316 0.000) 3.316 7.116 ( 0.000 4.175 0.000) 4.175 7.331 ( 0.000 -6.097 0.000) 6.097 7.353 ( 0.000 2.307 0.000) 2.307 7.510 ( 0.000 4.168 0.000) 4.168 7.553 ( 0.000 -2.745 0.000) 2.745 7.853 ( 0.000 2.333 0.000) 2.333 7.940 ( 0.000 -1.087 0.000) 1.087 8.009 ( 0.000 -2.193 0.000) 2.193 8.015 ( 0.000 1.173 0.000) 1.173 9.082 ( 0.000 2.045 0.000) 2.045 9.446 ( 0.000 -4.264 0.000) 4.264 9.489 ( 0.000 2.978 0.000) 2.978 9.594 ( 0.000 1.156 0.000) 1.156 10.011 ( 0.000 -5.663 0.000) 5.663 10.655 ( 0.000 0.278 0.000) 0.278 10.875 ( 0.000 0.678 0.000) 0.678 11.416 ( 0.000 -6.102 0.000) 6.102 11.754 ( 0.000 4.276 0.000) 4.276 12.069 ( 0.000 2.996 0.000) 2.996 12.355 ( 0.000 -1.448 0.000) 1.448 12.463 ( 0.000 4.120 0.000) 4.120 12.680 ( 0.000 -0.962 0.000) 0.962 14.162 ( 0.000 1.409 0.000) 1.409 14.197 ( 0.000 0.500 0.000) 0.500 15.303 ( 0.000 0.982 0.000) 0.982 15.350 ( 0.000 0.570 0.000) 0.570 15.419 ( 0.000 -0.036 0.000) 0.036 17.049 ( 0.000 0.146 0.000) 0.146 17.168 ( 0.000 1.919 0.000) 1.919 ======================= Grid point 10 (7/164) ======================= q-point: ( 0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 12.975 20.449 13.042) 27.506 0.836 ( 18.361 18.943 8.769) 27.801 1.271 ( 24.463 30.391 7.936) 39.813 2.600 ( 4.571 -8.384 3.830) 10.289 2.929 ( 0.635 2.883 3.490) 4.571 3.514 ( -5.851 0.258 1.337) 6.007 3.867 ( -3.214 1.189 -0.220) 3.434 3.941 ( 1.446 -3.020 0.503) 3.386 3.976 ( 2.550 0.251 3.189) 4.091 4.154 ( -2.510 1.537 0.369) 2.966 4.262 ( 4.149 -8.009 -5.164) 10.394 4.762 ( 1.674 -10.010 1.807) 10.309 5.103 ( -0.333 7.345 -1.888) 7.591 5.259 ( -4.055 -0.747 0.503) 4.154 5.717 ( -4.662 -1.430 2.403) 5.436 5.814 ( -7.691 0.332 -4.398) 8.866 6.093 ( 1.269 -0.101 -6.727) 6.847 6.305 ( 0.559 3.137 4.954) 5.890 6.471 ( -0.028 3.055 5.114) 5.957 7.060 ( -5.728 2.325 -1.125) 6.283 7.307 ( 0.027 -2.921 -1.827) 3.446 7.330 ( -1.231 -3.355 -2.342) 4.272 7.483 ( -2.831 3.039 8.580) 9.532 7.581 ( 1.696 2.011 9.781) 10.129 7.852 ( -0.165 0.109 -1.150) 1.166 7.968 ( 2.895 1.611 -3.083) 4.526 8.026 ( 2.190 -2.088 -0.207) 3.033 8.164 ( 12.384 -0.105 -6.418) 13.948 9.089 ( 1.884 -0.048 -6.131) 6.414 9.420 ( -3.465 -3.899 1.170) 5.346 9.452 ( -2.772 1.864 -0.313) 3.355 9.703 ( 4.395 -1.901 6.782) 8.302 9.988 ( -3.685 -5.684 3.703) 7.720 10.463 ( -17.209 7.606 -6.398) 19.873 10.861 ( 1.263 1.067 2.508) 3.004 11.265 ( -6.550 6.170 2.970) 9.476 11.797 ( 0.884 4.437 5.621) 7.216 12.018 ( -5.952 2.564 1.321) 6.614 12.216 ( 0.330 -6.134 -3.651) 7.146 12.709 ( 6.768 2.939 -2.235) 7.709 12.930 ( 28.425 -9.405 -16.641) 34.255 14.137 ( -9.088 4.017 1.075) 9.994 14.159 ( -1.134 1.478 1.996) 2.730 14.494 ( -13.490 22.315 -26.755) 37.360 15.418 ( -1.234 -0.446 4.149) 4.352 16.062 ( 15.253 -16.496 18.107) 28.856 17.048 ( -6.070 5.580 -0.814) 8.285 17.074 ( -2.010 0.922 5.782) 6.191 ======================= Grid point 11 (8/164) ======================= q-point: ( 0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 13.730 14.617 14.019) 24.468 1.228 ( 18.995 18.086 1.140) 26.253 1.890 ( 28.050 10.128 15.376) 33.553 2.718 ( 4.450 -7.304 3.784) 9.352 2.938 ( -0.987 3.462 0.505) 3.635 3.387 ( -7.835 4.553 0.502) 9.075 3.804 ( -2.030 1.680 -1.883) 3.239 3.922 ( -2.828 -0.677 -1.922) 3.486 4.036 ( 1.330 0.776 4.664) 4.911 4.167 ( 2.976 -3.775 0.488) 4.832 4.325 ( 4.167 -5.628 0.639) 7.032 4.809 ( 1.630 -9.681 1.258) 9.898 5.055 ( -3.519 4.485 -1.780) 5.972 5.171 ( -4.639 -1.261 0.719) 4.861 5.624 ( -10.083 4.743 0.496) 11.154 5.677 ( -1.714 0.054 2.780) 3.266 6.073 ( 0.189 0.980 -4.142) 4.261 6.301 ( -1.285 1.651 -1.544) 2.601 6.524 ( 0.905 2.530 7.892) 8.337 6.917 ( -7.955 -1.259 -0.975) 8.113 7.232 ( -4.798 -6.815 -4.174) 9.321 7.345 ( 2.615 -1.411 -0.216) 2.979 7.557 ( 1.856 -3.471 6.883) 7.929 7.719 ( 5.096 0.941 7.910) 9.456 7.862 ( 2.869 0.938 2.207) 3.739 8.006 ( -3.535 5.047 4.949) 7.903 8.013 ( 4.078 2.417 -7.164) 8.591 8.376 ( 15.207 -0.715 -10.123) 18.283 9.045 ( -2.652 -0.942 -4.981) 5.721 9.322 ( -7.109 -3.324 0.173) 7.850 9.419 ( -1.249 0.983 2.527) 2.986 9.761 ( -1.681 0.122 2.119) 2.708 9.917 ( -7.138 -4.206 4.331) 9.349 10.122 ( -10.275 11.345 -8.496) 17.506 10.924 ( 2.398 -4.393 2.993) 5.831 11.240 ( -0.078 6.313 3.695) 7.315 11.846 ( -0.594 1.776 5.638) 5.941 11.935 ( -2.207 0.775 0.308) 2.359 12.226 ( 2.390 -4.000 -2.714) 5.392 12.785 ( 2.985 4.871 -5.637) 8.026 13.291 ( 21.871 -5.717 -15.725) 27.537 13.952 ( -5.657 9.437 0.487) 11.013 14.141 ( -3.170 1.634 3.769) 5.189 14.335 ( 1.258 6.274 -9.073) 11.102 15.424 ( -1.929 -0.725 6.462) 6.783 16.297 ( 4.364 -9.230 5.382) 11.541 16.926 ( -5.628 6.462 1.671) 8.731 17.115 ( 1.123 -0.642 3.992) 4.196 ======================= Grid point 12 (9/164) ======================= q-point: ( 0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 10.837 9.628 12.532) 19.162 1.559 ( 15.451 16.149 -1.286) 22.387 2.433 ( 17.806 0.764 11.776) 21.361 2.794 ( 0.770 -3.018 2.707) 4.126 2.909 ( -0.950 2.520 -2.300) 3.542 3.251 ( -5.619 6.158 -0.819) 8.376 3.778 ( 0.699 3.862 -2.090) 4.447 3.852 ( -2.766 -2.021 -1.014) 3.573 4.072 ( -0.652 0.892 3.019) 3.215 4.261 ( 6.704 -4.850 0.631) 8.298 4.416 ( 3.610 -1.544 3.033) 4.962 4.820 ( -0.936 -5.151 -0.808) 5.297 4.963 ( -4.989 -3.762 1.227) 6.367 5.123 ( -0.474 -0.384 -0.412) 0.736 5.431 ( -11.855 3.397 5.138) 13.359 5.697 ( 1.504 4.884 1.451) 5.312 6.046 ( -0.294 -1.460 -2.689) 3.073 6.269 ( 0.024 4.104 -3.242) 5.230 6.617 ( 2.501 0.325 10.558) 10.855 6.761 ( -7.274 -3.006 -1.228) 7.965 7.097 ( -5.439 -7.963 -6.974) 11.901 7.384 ( 1.101 -0.426 0.161) 1.191 7.544 ( -4.688 -5.986 -0.856) 7.651 7.842 ( 5.850 -1.880 -2.635) 6.686 7.928 ( -2.170 6.176 -1.107) 6.640 8.035 ( 6.707 4.401 5.564) 9.762 8.117 ( 6.461 3.996 11.353) 13.661 8.576 ( 12.320 -2.345 -9.179) 15.541 8.934 ( -4.854 -0.629 -5.575) 7.419 9.170 ( -9.154 -3.911 1.577) 10.079 9.421 ( -1.697 -0.227 3.873) 4.235 9.671 ( -5.211 3.908 -5.002) 8.213 9.823 ( -3.915 -0.371 3.853) 5.505 9.965 ( -3.498 6.716 -5.196) 9.184 10.982 ( 1.706 -6.343 2.396) 6.992 11.275 ( 0.892 5.202 2.779) 5.965 11.837 ( -2.158 -5.547 2.739) 6.552 11.946 ( 1.310 3.906 0.924) 4.223 12.276 ( 3.999 0.826 0.602) 4.127 12.727 ( -3.873 6.683 -7.521) 10.781 13.565 ( 17.628 -1.515 -12.339) 21.571 13.959 ( 3.367 4.641 4.012) 6.998 14.083 ( -6.335 1.707 5.282) 8.423 14.301 ( -0.165 2.079 -5.994) 6.347 15.432 ( -1.754 -0.940 5.861) 6.190 16.366 ( 1.334 -5.135 1.211) 5.441 16.856 ( -2.876 5.294 1.045) 6.114 17.160 ( 0.959 -0.629 2.890) 3.109 ======================= Grid point 13 (10/164) ======================= q-point: ( 0.44 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 4.069 5.195 6.014) 8.928 1.767 ( 6.671 16.774 -1.395) 18.106 2.682 ( 3.459 -3.870 3.563) 6.296 2.792 ( -1.079 2.807 0.299) 3.023 2.901 ( 1.157 3.149 -0.397) 3.378 3.179 ( -1.578 3.518 -0.619) 3.905 3.792 ( 1.261 3.240 -0.587) 3.526 3.812 ( -1.024 0.921 -0.537) 1.478 4.063 ( -1.012 0.306 0.918) 1.400 4.390 ( 3.694 -2.743 1.780) 4.933 4.498 ( 4.451 -2.692 -0.750) 5.255 4.770 ( -3.332 -2.913 0.510) 4.455 4.905 ( -1.809 -6.423 0.973) 6.744 5.136 ( 2.051 -1.867 -1.556) 3.181 5.271 ( -7.368 2.307 4.067) 8.727 5.731 ( 0.997 7.283 0.439) 7.364 6.029 ( -0.014 -2.441 -1.280) 2.756 6.262 ( 0.529 5.537 -1.122) 5.674 6.647 ( -3.407 -3.461 -0.524) 4.885 6.761 ( 4.415 -4.136 11.108) 12.649 6.937 ( -5.167 -5.644 -9.546) 12.234 7.371 ( -2.012 2.835 -0.429) 3.503 7.464 ( -1.173 -6.583 -1.352) 6.822 7.881 ( 0.561 7.186 -3.384) 7.963 7.902 ( 0.218 -2.139 0.907) 2.334 8.174 ( 3.905 5.044 2.895) 7.005 8.345 ( 6.377 1.335 9.187) 11.263 8.700 ( 5.872 -4.024 -5.682) 9.109 8.800 ( -4.721 0.062 -4.305) 6.389 9.030 ( -5.464 -4.332 1.636) 7.162 9.395 ( -2.231 -1.141 1.523) 2.932 9.583 ( -0.859 5.207 -2.819) 5.983 9.814 ( -0.123 -1.568 3.484) 3.823 9.879 ( -2.277 7.982 -3.781) 9.121 11.017 ( 0.691 -6.801 0.952) 6.902 11.301 ( 0.355 4.369 0.968) 4.489 11.824 ( -0.555 -8.860 0.806) 8.914 11.967 ( 0.394 4.249 0.321) 4.279 12.386 ( 5.401 6.231 3.855) 9.102 12.574 ( -6.008 5.519 -6.309) 10.313 13.792 ( 14.105 0.666 -9.293) 16.904 13.968 ( -10.293 1.477 7.276) 12.691 14.073 ( 4.216 2.950 3.444) 6.192 14.241 ( -2.078 0.345 -4.019) 4.538 15.437 ( -0.707 -0.999 2.363) 2.661 16.383 ( 0.298 -3.773 0.126) 3.787 16.826 ( -0.866 4.866 0.337) 4.954 17.186 ( 0.362 -0.531 1.040) 1.223 ======================= Grid point 18 (11/164) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 22.183 0.000) 22.183 1.220 ( 0.000 24.765 0.000) 24.765 1.887 ( 0.000 35.727 0.000) 35.727 2.310 ( 0.000 -12.133 0.000) 12.133 3.003 ( 0.000 5.209 0.000) 5.209 3.465 ( 0.000 -5.759 0.000) 5.759 3.737 ( 0.000 -15.894 0.000) 15.894 3.909 ( 0.000 1.174 0.000) 1.174 3.951 ( 0.000 -4.581 0.000) 4.581 4.039 ( 0.000 6.478 0.000) 6.478 4.479 ( 0.000 10.755 0.000) 10.755 4.510 ( 0.000 -10.200 0.000) 10.200 5.169 ( 0.000 -1.242 0.000) 1.242 5.385 ( 0.000 6.316 0.000) 6.316 5.724 ( 0.000 -1.725 0.000) 1.725 5.777 ( 0.000 -8.683 0.000) 8.683 5.986 ( 0.000 -6.378 0.000) 6.378 6.422 ( 0.000 6.216 0.000) 6.216 6.563 ( 0.000 6.588 0.000) 6.588 7.160 ( 0.000 0.326 0.000) 0.326 7.212 ( 0.000 -3.920 0.000) 3.920 7.450 ( 0.000 -6.542 0.000) 6.542 7.472 ( 0.000 7.767 0.000) 7.767 7.617 ( 0.000 5.274 0.000) 5.274 7.914 ( 0.000 3.069 0.000) 3.069 7.919 ( 0.000 -1.007 0.000) 1.007 7.937 ( 0.000 -4.071 0.000) 4.071 8.037 ( 0.000 0.576 0.000) 0.576 9.141 ( 0.000 3.259 0.000) 3.259 9.357 ( 0.000 -3.734 0.000) 3.734 9.569 ( 0.000 4.073 0.000) 4.073 9.601 ( 0.000 -0.289 0.000) 0.289 9.861 ( 0.000 -7.746 0.000) 7.746 10.669 ( 0.000 1.152 0.000) 1.152 10.889 ( 0.000 0.491 0.000) 0.491 11.262 ( 0.000 -7.559 0.000) 7.559 11.857 ( 0.000 4.770 0.000) 4.770 12.148 ( 0.000 4.042 0.000) 4.042 12.317 ( 0.000 -1.990 0.000) 1.990 12.554 ( 0.000 3.654 0.000) 3.654 12.663 ( 0.000 -0.370 0.000) 0.370 14.196 ( 0.000 1.557 0.000) 1.557 14.211 ( 0.000 0.717 0.000) 0.717 15.328 ( 0.000 1.226 0.000) 1.226 15.367 ( 0.000 0.912 0.000) 0.912 15.416 ( 0.000 -0.291 0.000) 0.291 17.056 ( 0.000 0.434 0.000) 0.434 17.215 ( 0.000 2.166 0.000) 2.166 ======================= Grid point 19 (12/164) ======================= q-point: ( 0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 15.316 17.747 12.318) 26.482 1.303 ( 5.915 21.864 7.231) 23.777 1.959 ( 7.268 28.755 1.631) 29.704 2.387 ( 5.974 -10.448 3.819) 12.627 3.018 ( 1.085 4.938 0.289) 5.064 3.456 ( -2.204 -5.124 2.940) 6.305 3.730 ( -1.117 -12.813 2.560) 13.114 3.890 ( 0.375 -0.841 -2.218) 2.402 4.029 ( 6.045 -3.320 -2.976) 7.512 4.059 ( 1.539 5.555 3.705) 6.852 4.405 ( -5.255 10.087 -3.446) 11.885 4.532 ( 0.917 -9.852 2.866) 10.302 5.168 ( -0.878 -0.789 2.267) 2.556 5.312 ( -6.510 4.141 -2.314) 8.055 5.686 ( -2.441 -1.077 3.723) 4.580 5.789 ( 0.662 -2.416 -5.574) 6.111 6.007 ( 4.194 -6.615 -6.519) 10.190 6.412 ( -4.029 5.905 4.221) 8.302 6.551 ( -2.034 3.825 6.042) 7.435 7.093 ( -8.092 0.382 0.641) 8.127 7.196 ( -1.374 -4.540 -3.966) 6.183 7.309 ( -2.577 -1.027 -5.378) 6.051 7.540 ( -4.351 1.554 5.118) 6.895 7.619 ( 2.706 3.071 6.594) 7.761 7.854 ( -0.417 0.572 -1.112) 1.318 7.959 ( 2.948 -3.372 -0.696) 4.533 8.044 ( 6.914 3.489 -0.247) 7.748 8.163 ( 11.885 0.186 -4.708) 12.784 9.126 ( -2.436 3.028 1.086) 4.035 9.332 ( -3.380 -3.974 1.817) 5.524 9.491 ( -4.923 1.231 1.638) 5.332 9.704 ( 5.270 1.073 2.421) 5.898 9.839 ( -2.984 -7.445 2.821) 8.502 10.552 ( -9.891 2.642 -4.074) 11.019 10.873 ( -0.331 0.273 -2.401) 2.439 11.248 ( -0.768 -5.304 0.788) 5.417 11.905 ( 1.750 5.001 5.092) 7.349 12.107 ( -8.270 5.032 1.265) 9.763 12.179 ( -1.732 0.737 -0.848) 2.064 12.731 ( 7.379 -0.830 -2.321) 7.780 12.827 ( 22.269 -1.394 -7.986) 23.699 14.176 ( -4.728 1.064 2.459) 5.434 14.196 ( -0.880 1.690 2.043) 2.793 14.820 ( -15.758 9.458 -21.878) 28.573 15.407 ( -1.458 -0.528 3.928) 4.222 15.845 ( 14.905 -5.559 16.735) 23.090 17.069 ( 0.754 0.270 1.732) 1.908 17.155 ( -4.756 3.404 -1.904) 6.151 ======================= Grid point 20 (13/164) ======================= q-point: ( 0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 7.806 15.933 11.382) 21.080 1.600 ( 17.343 15.504 7.580) 24.466 2.182 ( 11.927 12.937 8.228) 19.425 2.550 ( 7.650 -6.580 4.127) 10.902 3.029 ( 0.227 5.304 -1.682) 5.569 3.424 ( -4.035 -2.396 5.707) 7.389 3.748 ( 2.157 -6.102 0.080) 6.472 3.860 ( -1.278 -2.065 -7.205) 7.603 4.105 ( 4.918 0.926 -1.171) 5.139 4.142 ( 1.520 2.753 4.050) 5.128 4.311 ( -1.307 4.488 1.613) 4.944 4.576 ( 1.251 -9.719 3.520) 10.412 5.131 ( -8.952 0.796 -2.738) 9.395 5.175 ( -1.049 2.386 2.325) 3.493 5.668 ( -4.834 1.238 2.932) 5.788 5.751 ( 0.769 3.979 -2.627) 4.830 6.007 ( -0.181 -6.088 -6.236) 8.717 6.350 ( -2.579 2.433 1.581) 3.882 6.578 ( -1.303 1.661 8.843) 9.091 6.895 ( -11.747 -0.854 0.465) 11.787 7.087 ( -5.118 -5.526 -6.417) 9.895 7.302 ( 2.764 -2.201 -2.391) 4.266 7.498 ( -1.979 -2.333 0.286) 3.073 7.739 ( 4.765 1.574 4.869) 6.992 7.904 ( 5.964 2.450 1.214) 6.561 8.000 ( 2.098 -1.461 -1.315) 2.874 8.156 ( 3.611 6.380 3.605) 8.169 8.360 ( 12.220 -0.609 -6.361) 13.790 9.051 ( -5.514 1.415 -0.537) 5.718 9.242 ( -7.446 -3.763 1.124) 8.418 9.433 ( -3.310 0.123 4.809) 5.839 9.753 ( -3.738 -5.090 5.264) 8.221 9.821 ( 0.384 0.160 -0.781) 0.885 10.320 ( -8.891 6.583 -5.645) 12.420 10.856 ( 0.343 -2.161 -2.236) 3.128 11.257 ( 0.568 -4.268 1.465) 4.548 11.911 ( -6.363 5.450 4.251) 9.394 12.012 ( 0.762 4.890 0.704) 4.999 12.209 ( 3.241 0.989 1.247) 3.610 12.842 ( 5.475 0.877 -5.197) 7.599 13.199 ( 22.727 -2.859 -9.742) 24.892 14.081 ( -6.296 3.244 4.322) 8.297 14.182 ( -2.857 1.990 3.545) 4.969 14.507 ( -4.754 8.182 -15.098) 17.818 15.406 ( -2.147 -0.851 6.043) 6.469 16.136 ( 7.001 -5.503 9.406) 12.952 17.046 ( -4.360 4.534 -2.602) 6.807 17.106 ( 1.013 -0.167 3.342) 3.497 ======================= Grid point 21 (14/164) ======================= q-point: ( 0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 5.995 10.296 9.935) 15.513 1.942 ( 14.759 16.500 2.539) 22.283 2.458 ( 8.795 0.640 10.031) 13.356 2.714 ( 6.767 -3.021 3.266) 8.098 3.001 ( -0.964 6.113 -4.220) 7.491 3.390 ( -3.346 3.775 4.771) 6.944 3.730 ( -4.587 -4.490 -5.179) 8.247 3.832 ( 5.933 -0.964 -3.823) 7.123 4.143 ( -1.778 2.703 1.496) 3.565 4.219 ( 6.304 2.098 2.034) 6.948 4.377 ( 3.151 -1.630 5.197) 6.293 4.624 ( 1.684 -9.610 2.284) 10.021 4.924 ( -9.872 0.703 -3.573) 10.522 5.193 ( 0.579 3.940 2.732) 4.829 5.518 ( -11.589 4.490 3.422) 12.890 5.772 ( 1.141 2.224 -1.441) 2.885 5.978 ( 1.824 -4.822 -1.836) 5.473 6.345 ( 1.020 2.306 -0.962) 2.698 6.607 ( -1.880 -1.973 8.293) 8.729 6.688 ( -9.683 -3.494 -0.219) 10.296 6.953 ( -3.589 -4.003 -7.067) 8.879 7.339 ( 2.224 -3.244 -2.248) 4.531 7.456 ( -2.459 -2.577 -0.039) 3.563 7.826 ( 3.440 0.411 -2.550) 4.302 8.019 ( 1.890 2.294 -1.897) 3.526 8.094 ( 10.486 2.179 2.311) 10.956 8.252 ( 2.700 7.029 9.601) 12.202 8.520 ( 8.281 -2.481 -4.346) 9.676 8.930 ( -5.827 0.346 -2.391) 6.308 9.081 ( -9.851 -4.093 1.586) 10.785 9.407 ( -3.564 -0.934 4.622) 5.911 9.707 ( -3.716 -7.048 4.613) 9.206 9.775 ( -2.334 5.064 -5.618) 7.915 10.182 ( -2.727 9.712 -3.486) 10.673 10.858 ( 0.857 -5.184 -0.705) 5.302 11.276 ( 0.359 -4.862 1.198) 5.020 11.820 ( -4.174 4.561 0.824) 6.237 12.049 ( 1.103 4.910 1.863) 5.366 12.315 ( 6.043 2.047 4.214) 7.647 12.830 ( -2.060 2.827 -7.984) 8.717 13.537 ( 19.628 -0.921 -9.081) 21.647 14.054 ( -0.184 3.500 6.682) 7.545 14.127 ( -5.954 2.191 4.466) 7.759 14.371 ( -2.007 4.224 -10.119) 11.147 15.408 ( -1.782 -1.099 5.463) 5.851 16.265 ( 2.445 -3.824 4.311) 6.259 16.967 ( -2.400 4.539 -1.612) 5.381 17.147 ( 0.951 -0.425 2.809) 2.996 ======================= Grid point 22 (15/164) ======================= q-point: ( 0.44 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 2.200 6.513 4.048) 7.978 2.165 ( 6.499 17.834 0.699) 18.994 2.610 ( 2.192 -2.541 3.969) 5.198 2.847 ( 4.811 0.140 3.508) 5.956 2.941 ( -2.237 4.514 -4.597) 6.820 3.361 ( -1.685 11.073 1.455) 11.295 3.636 ( -1.925 -10.721 -1.852) 11.049 3.928 ( 4.940 2.148 -2.107) 5.784 4.105 ( -2.919 2.585 1.879) 4.328 4.352 ( 4.576 -0.309 2.122) 5.054 4.456 ( 3.215 -1.014 0.326) 3.387 4.664 ( 0.809 -9.530 1.708) 9.716 4.731 ( -7.245 -1.929 -2.233) 7.823 5.222 ( 0.797 5.946 0.972) 6.078 5.349 ( -6.390 4.611 2.143) 8.166 5.773 ( 0.267 -2.073 -1.088) 2.357 6.025 ( 2.019 0.320 0.314) 2.068 6.358 ( 0.637 3.166 -0.528) 3.272 6.549 ( -4.092 -5.410 -0.396) 6.795 6.619 ( -1.174 -7.396 3.834) 8.413 6.874 ( -0.796 -0.462 -3.340) 3.465 7.337 ( -0.438 -5.226 -1.922) 5.586 7.427 ( -0.619 2.114 0.711) 2.315 7.849 ( 1.243 -1.212 -2.593) 3.121 8.033 ( 0.558 5.480 -0.385) 5.521 8.265 ( 5.147 2.716 -0.136) 5.821 8.398 ( 4.636 3.771 7.784) 9.814 8.606 ( 3.070 -4.022 -1.916) 5.410 8.806 ( -4.803 0.496 -2.502) 5.438 8.932 ( -5.305 -4.382 1.072) 6.964 9.364 ( -2.298 -1.565 1.282) 3.061 9.684 ( -1.157 -7.249 1.811) 7.561 9.710 ( -0.840 6.129 -2.779) 6.782 10.138 ( -0.620 11.997 -1.358) 12.089 10.871 ( 0.472 -6.958 0.017) 6.974 11.285 ( 0.049 -5.428 0.432) 5.445 11.771 ( -1.308 3.910 0.070) 4.124 12.070 ( 0.259 4.773 0.712) 4.833 12.486 ( 7.669 3.347 6.766) 10.761 12.682 ( -6.771 3.777 -8.242) 11.315 13.811 ( 15.173 0.977 -7.596) 16.996 14.006 ( -10.455 1.914 6.268) 12.339 14.146 ( 3.456 2.824 7.233) 8.499 14.264 ( -2.996 2.265 -8.165) 8.988 15.412 ( -0.667 -1.171 2.203) 2.582 16.308 ( 0.518 -2.881 1.206) 3.166 16.931 ( -0.685 4.401 -0.534) 4.486 17.174 ( 0.357 -0.522 1.091) 1.261 ======================= Grid point 27 (16/164) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 15.101 0.000) 15.101 1.630 ( 0.000 11.591 0.000) 11.591 2.038 ( 0.000 -11.376 0.000) 11.376 2.450 ( 0.000 14.921 0.000) 14.921 3.105 ( 0.000 3.870 0.000) 3.870 3.334 ( 0.000 -6.153 0.000) 6.153 3.451 ( 0.000 -7.389 0.000) 7.389 3.901 ( 0.000 -1.020 0.000) 1.020 3.922 ( 0.000 -0.019 0.000) 0.019 4.154 ( 0.000 3.389 0.000) 3.389 4.349 ( 0.000 -4.204 0.000) 4.204 4.651 ( 0.000 4.624 0.000) 4.624 5.139 ( 0.000 -0.936 0.000) 0.936 5.475 ( 0.000 1.893 0.000) 1.893 5.613 ( 0.000 -5.134 0.000) 5.134 5.708 ( 0.000 0.019 0.000) 0.019 5.877 ( 0.000 -3.041 0.000) 3.041 6.508 ( 0.000 2.061 0.000) 2.061 6.675 ( 0.000 2.841 0.000) 2.841 7.167 ( 0.000 0.444 0.000) 0.444 7.194 ( 0.000 2.423 0.000) 2.423 7.301 ( 0.000 -6.798 0.000) 6.798 7.612 ( 0.000 4.085 0.000) 4.085 7.716 ( 0.000 4.086 0.000) 4.086 7.823 ( 0.000 -5.237 0.000) 5.237 7.926 ( 0.000 0.503 0.000) 0.503 7.970 ( 0.000 1.824 0.000) 1.824 8.037 ( 0.000 -0.422 0.000) 0.422 9.204 ( 0.000 2.131 0.000) 2.131 9.298 ( 0.000 -1.625 0.000) 1.625 9.598 ( 0.000 0.314 0.000) 0.314 9.639 ( 0.000 1.945 0.000) 1.945 9.717 ( 0.000 -4.747 0.000) 4.747 10.699 ( 0.000 1.267 0.000) 1.267 10.893 ( 0.000 -0.119 0.000) 0.119 11.132 ( 0.000 -3.734 0.000) 3.734 11.933 ( 0.000 1.967 0.000) 1.967 12.224 ( 0.000 2.874 0.000) 2.874 12.275 ( 0.000 -1.921 0.000) 1.921 12.598 ( 0.000 0.657 0.000) 0.657 12.671 ( 0.000 0.684 0.000) 0.684 14.221 ( 0.000 0.634 0.000) 0.634 14.223 ( 0.000 0.356 0.000) 0.356 15.348 ( 0.000 0.545 0.000) 0.545 15.387 ( 0.000 0.895 0.000) 0.895 15.406 ( 0.000 -0.636 0.000) 0.636 17.064 ( 0.000 0.243 0.000) 0.243 17.250 ( 0.000 0.924 0.000) 0.924 ======================= Grid point 28 (17/164) ======================= q-point: ( 0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 11.895 14.202 10.284) 21.189 1.671 ( 2.383 10.487 5.173) 11.934 2.070 ( 1.674 -10.822 4.455) 11.822 2.474 ( 1.873 10.771 3.468) 11.470 3.129 ( 2.582 4.887 -1.627) 5.761 3.324 ( -1.680 -6.104 2.377) 6.762 3.504 ( 6.572 -5.928 -3.224) 9.420 3.877 ( -0.797 -0.515 -0.318) 1.000 3.993 ( 5.281 -0.643 -0.132) 5.322 4.153 ( -1.265 1.969 4.409) 4.992 4.393 ( 2.841 -2.543 3.130) 4.933 4.571 ( -6.430 4.348 -3.643) 8.574 5.149 ( -0.228 -0.498 3.361) 3.405 5.347 ( -8.219 -0.351 -2.889) 8.719 5.674 ( 2.272 -0.290 2.134) 3.131 5.763 ( 4.915 0.649 -3.168) 5.884 5.867 ( 2.408 -5.224 -6.853) 8.947 6.521 ( -2.828 3.705 5.967) 7.572 6.600 ( -7.325 0.378 4.405) 8.556 7.089 ( -9.353 -0.274 2.735) 9.748 7.151 ( -3.346 0.082 -5.934) 6.813 7.260 ( -0.403 -2.656 -2.695) 3.805 7.559 ( -4.653 0.293 -3.020) 5.555 7.715 ( 1.024 5.570 4.574) 7.279 7.836 ( 0.628 -4.649 2.885) 5.508 7.903 ( 2.501 0.121 -0.848) 2.643 8.106 ( 10.143 1.751 -3.611) 10.908 8.170 ( 10.674 0.304 -0.801) 10.708 9.198 ( -3.504 3.312 3.147) 5.757 9.260 ( -3.734 -2.787 2.126) 5.121 9.501 ( -6.689 0.068 3.107) 7.375 9.685 ( -3.092 -3.425 2.943) 5.473 9.752 ( 6.668 0.335 -1.062) 6.761 10.597 ( -8.355 1.417 -3.147) 9.040 10.875 ( -0.720 -0.088 -3.150) 3.233 11.138 ( 0.428 -3.428 0.703) 3.526 11.984 ( 2.448 2.061 4.729) 5.710 12.186 ( -6.691 1.441 -0.176) 6.846 12.205 ( -1.376 1.468 1.259) 2.373 12.706 ( 9.029 -0.840 -1.925) 9.270 12.823 ( 17.011 0.229 -6.019) 18.046 14.192 ( -3.985 0.435 2.216) 4.580 14.223 ( -0.673 0.691 2.081) 2.294 14.944 ( -13.695 2.692 -18.320) 23.031 15.398 ( -1.595 -0.230 3.651) 3.991 15.778 ( 13.283 -1.301 15.279) 20.287 17.075 ( 0.466 0.189 1.900) 1.966 17.205 ( -3.218 1.232 -2.911) 4.511 ======================= Grid point 29 (18/164) ======================= q-point: ( 0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 3.259 8.206 7.827) 11.799 1.899 ( 14.451 12.709 10.820) 22.078 2.180 ( 6.364 -9.960 7.719) 14.117 2.573 ( 4.697 4.352 5.965) 8.751 3.160 ( 1.930 6.306 -2.858) 7.188 3.313 ( -1.325 -6.138 3.331) 7.108 3.642 ( 10.128 -2.685 -4.188) 11.284 3.847 ( -0.962 -0.041 -5.997) 6.074 4.094 ( 4.166 -0.225 1.721) 4.513 4.178 ( -0.092 -0.836 6.935) 6.985 4.410 ( -6.823 3.000 -1.584) 7.620 4.474 ( 2.493 -0.297 4.834) 5.447 5.149 ( -6.482 1.506 -2.269) 7.031 5.195 ( -1.217 -0.893 2.447) 2.875 5.715 ( -1.372 3.205 2.263) 4.157 5.793 ( 4.527 -0.189 -4.914) 6.684 5.868 ( -0.840 -5.291 -5.950) 8.006 6.408 ( -7.308 2.679 3.943) 8.726 6.573 ( -3.335 -1.612 8.201) 8.999 6.871 ( -14.470 -1.070 2.743) 14.767 7.028 ( -3.434 -0.613 -8.222) 8.931 7.266 ( 2.221 -0.970 -2.767) 3.678 7.459 ( -2.916 -1.108 -3.258) 4.511 7.795 ( 3.204 3.243 3.497) 5.746 7.911 ( 7.164 -2.613 -1.890) 7.857 7.981 ( 5.493 0.559 0.178) 5.525 8.262 ( 6.569 3.060 2.035) 7.527 8.352 ( 8.714 -0.222 -1.445) 8.835 9.090 ( -8.087 1.672 1.421) 8.380 9.178 ( -7.868 -1.879 2.119) 8.362 9.428 ( -4.183 -0.314 5.989) 7.312 9.628 ( -4.776 -4.061 3.984) 7.428 9.861 ( 4.561 1.536 -1.767) 5.127 10.410 ( -7.310 2.115 -3.013) 8.184 10.827 ( -1.096 -0.629 -5.124) 5.278 11.155 ( 0.334 -3.370 1.594) 3.743 12.018 ( -4.358 3.101 3.202) 6.234 12.099 ( -0.015 2.675 0.473) 2.717 12.226 ( 2.473 0.329 3.201) 4.058 12.845 ( 6.724 -0.134 -4.661) 8.183 13.162 ( 22.424 -0.761 -7.709) 23.725 14.121 ( -5.181 0.839 4.828) 7.132 14.214 ( -2.611 0.832 3.654) 4.567 14.633 ( -6.995 3.153 -15.237) 17.060 15.392 ( -2.293 -0.366 5.689) 6.144 16.062 ( 7.470 -1.623 10.316) 12.839 17.105 ( 0.811 0.054 3.106) 3.210 17.112 ( -3.575 1.622 -3.714) 5.404 ======================= Grid point 30 (19/164) ======================= q-point: ( 0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 2.144 4.807 7.347) 9.038 2.218 ( 12.827 9.617 6.668) 17.363 2.402 ( 9.127 -5.594 9.070) 14.030 2.707 ( 5.521 1.269 3.983) 6.925 3.154 ( -0.289 7.691 -3.603) 8.499 3.323 ( 0.031 -7.493 2.929) 8.045 3.740 ( -3.809 2.977 -8.234) 9.548 3.804 ( 7.472 -1.070 -2.002) 7.809 4.149 ( 0.338 -0.348 0.815) 0.949 4.240 ( 3.575 -2.165 3.067) 5.184 4.347 ( -0.751 -0.355 3.883) 3.971 4.547 ( 1.414 1.087 5.603) 5.880 4.951 ( -9.603 1.140 -6.052) 11.408 5.251 ( 2.397 1.329 4.537) 5.300 5.610 ( -11.135 4.008 2.716) 12.142 5.765 ( -2.036 -3.503 -6.363) 7.544 5.900 ( 6.321 -0.961 1.474) 6.561 6.373 ( 0.418 0.798 1.207) 1.506 6.542 ( -4.455 -2.868 4.575) 7.001 6.623 ( -11.992 -1.981 1.188) 12.212 6.930 ( -1.606 0.423 -6.003) 6.228 7.280 ( 1.267 -1.734 -5.044) 5.482 7.421 ( 0.089 -0.795 1.292) 1.520 7.849 ( 1.541 1.123 -1.542) 2.452 8.037 ( 6.541 -0.109 -2.891) 7.152 8.128 ( 10.851 0.843 -2.879) 11.258 8.381 ( 2.549 4.526 8.503) 9.964 8.475 ( 4.424 -1.928 1.544) 5.067 8.946 ( -7.512 1.007 0.652) 7.607 9.009 ( -9.953 -2.304 0.663) 10.238 9.392 ( -4.245 -0.277 4.865) 6.462 9.574 ( -3.330 -4.126 3.439) 6.319 9.868 ( -0.432 2.780 -5.976) 6.605 10.326 ( -0.992 3.537 0.744) 3.748 10.772 ( -1.020 -2.447 -4.484) 5.209 11.169 ( -0.021 -3.345 1.541) 3.683 11.932 ( -4.085 3.741 -0.462) 5.558 12.128 ( 0.633 2.100 2.281) 3.164 12.343 ( 6.462 0.523 5.529) 8.521 12.861 ( -0.758 0.530 -7.771) 7.826 13.526 ( 20.783 -0.199 -7.436) 22.075 14.100 ( -1.012 1.005 7.567) 7.701 14.163 ( -6.017 0.907 4.619) 7.640 14.450 ( -3.406 2.353 -11.831) 12.534 15.391 ( -1.794 -0.468 5.144) 5.468 16.211 ( 2.993 -1.262 5.551) 6.431 17.035 ( -2.066 1.716 -2.745) 3.840 17.142 ( 0.699 -0.102 2.950) 3.033 ======================= Grid point 31 (20/164) ======================= q-point: ( 0.44 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.672 2.895 3.061) 4.266 2.447 ( 6.230 7.695 3.135) 10.385 2.575 ( 3.393 -1.180 3.813) 5.239 2.827 ( 4.489 -0.630 1.223) 4.695 3.106 ( -1.802 9.702 -2.599) 10.204 3.344 ( 0.319 -11.636 1.388) 11.723 3.621 ( -2.674 7.692 -3.904) 9.031 3.894 ( 2.143 -3.744 0.641) 4.361 4.137 ( -1.256 0.552 0.935) 1.660 4.353 ( 3.463 0.298 0.486) 3.510 4.392 ( 5.367 -4.020 -0.828) 6.756 4.602 ( -0.271 1.524 7.916) 8.066 4.722 ( -8.766 0.547 -6.751) 11.078 5.319 ( 1.632 2.408 2.041) 3.554 5.435 ( -6.315 2.597 1.506) 6.992 5.722 ( -0.074 -1.533 -2.181) 2.667 6.008 ( 3.086 -1.210 1.254) 3.544 6.394 ( 0.811 0.656 0.109) 1.049 6.443 ( -4.924 -3.429 -0.133) 6.002 6.510 ( -2.184 -2.574 1.293) 3.615 6.885 ( -0.403 0.698 -1.969) 2.128 7.253 ( -0.358 -2.295 -2.708) 3.567 7.457 ( 1.196 0.698 1.834) 2.298 7.842 ( 0.116 0.211 -2.773) 2.783 8.113 ( 2.593 1.961 -0.749) 3.336 8.285 ( 6.514 -0.194 -4.197) 7.752 8.484 ( 2.095 3.504 7.111) 8.200 8.546 ( 1.285 -1.901 3.156) 3.902 8.820 ( -5.088 0.902 -1.115) 5.286 8.857 ( -4.864 -2.485 0.065) 5.462 9.340 ( -2.575 -0.534 1.134) 2.864 9.551 ( -0.985 -4.015 1.431) 4.375 9.818 ( -0.540 3.145 -3.163) 4.493 10.335 ( 0.355 5.717 0.748) 5.777 10.736 ( -0.398 -4.633 -1.664) 4.938 11.175 ( -0.060 -3.220 0.602) 3.277 11.875 ( -1.423 3.586 -0.383) 3.877 12.146 ( 0.111 1.941 0.888) 2.137 12.529 ( 7.865 0.788 7.392) 10.822 12.731 ( -6.202 1.045 -8.456) 10.538 13.828 ( 15.873 0.507 -6.482) 17.153 14.040 ( -10.581 1.004 5.513) 11.973 14.172 ( 1.900 0.208 7.442) 7.683 14.325 ( -2.436 2.192 -8.429) 9.044 15.393 ( -0.636 -0.499 2.075) 2.227 16.267 ( 0.694 -0.960 1.711) 2.081 16.998 ( -0.592 1.681 -0.956) 2.022 17.166 ( 0.258 -0.189 1.188) 1.230 ======================= Grid point 63 (21/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -7.287 0.000 27.164) 28.125 0.598 ( 13.693 0.000 28.226) 31.372 1.026 ( -1.384 0.000 48.403) 48.423 2.653 ( 1.641 0.000 1.285) 2.085 3.111 ( 9.540 0.000 6.870) 11.757 3.488 ( -0.209 0.000 -3.818) 3.823 3.598 ( 1.064 0.000 -2.700) 2.902 3.806 ( 2.165 0.000 -4.386) 4.891 3.907 ( 2.294 0.000 -2.275) 3.231 3.988 ( 3.338 0.000 2.989) 4.481 4.419 ( 0.010 0.000 -0.964) 0.964 4.839 ( 3.219 0.000 -4.352) 5.414 4.954 ( -4.523 0.000 0.121) 4.525 5.301 ( 0.888 0.000 -2.358) 2.519 5.757 ( 3.336 0.000 -3.285) 4.682 5.888 ( 4.258 0.000 -8.967) 9.927 5.982 ( -9.053 0.000 -0.699) 9.080 6.505 ( -1.686 0.000 4.443) 4.752 6.562 ( 0.555 0.000 1.569) 1.664 7.052 ( 0.561 0.000 0.070) 0.566 7.319 ( 4.674 0.000 -2.414) 5.260 7.435 ( -6.438 0.000 2.484) 6.900 7.518 ( 16.759 0.000 4.036) 17.239 7.541 ( 5.429 0.000 6.257) 8.284 7.897 ( -3.057 0.000 2.672) 4.060 7.916 ( -0.735 0.000 -0.237) 0.773 7.961 ( 1.827 0.000 -5.853) 6.131 8.037 ( -12.726 0.000 3.004) 13.075 9.332 ( -5.969 0.000 -3.726) 7.036 9.440 ( -7.887 0.000 -1.530) 8.034 9.450 ( 1.921 0.000 -5.511) 5.836 9.796 ( 1.297 0.000 -6.247) 6.380 10.070 ( 1.321 0.000 0.279) 1.350 10.581 ( -3.489 0.000 -6.053) 6.987 11.157 ( -0.743 0.000 3.600) 3.675 11.472 ( 5.521 0.000 6.160) 8.272 12.041 ( 22.697 0.000 -3.448) 22.958 12.066 ( 0.824 0.000 2.855) 2.972 12.431 ( 4.583 0.000 1.151) 4.725 12.566 ( -3.436 0.000 -1.181) 3.633 13.323 (-121.691 0.000 1.979) 121.707 13.760 ( 3.454 0.000 -3.020) 4.588 14.158 ( 1.605 0.000 1.161) 1.981 14.224 ( -3.307 0.000 2.596) 4.204 15.498 ( 1.843 0.000 7.390) 7.616 16.451 ( -2.003 0.000 1.110) 2.290 16.544 ( 54.250 0.000 0.225) 54.250 17.023 ( -0.811 0.000 -2.492) 2.621 ======================= Grid point 64 (22/164) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 9.498 0.000 21.994) 23.957 1.050 ( 12.252 0.000 28.185) 30.733 1.568 ( 22.915 0.000 35.170) 41.976 2.733 ( 5.337 0.000 1.232) 5.477 3.127 ( -8.177 0.000 9.170) 12.286 3.405 ( -5.454 0.000 -3.921) 6.717 3.670 ( 3.772 0.000 -11.284) 11.898 3.871 ( 5.038 0.000 -6.298) 8.065 3.988 ( 10.339 0.000 -2.731) 10.694 4.072 ( 2.602 0.000 3.049) 4.009 4.415 ( 0.298 0.000 -0.117) 0.320 4.871 ( -3.671 0.000 -1.263) 3.882 4.898 ( 5.257 0.000 -3.117) 6.112 5.255 ( -3.414 0.000 -2.605) 4.294 5.735 ( -4.693 0.000 -2.119) 5.149 5.846 ( -3.565 0.000 -0.697) 3.633 5.925 ( 4.373 0.000 -4.467) 6.251 6.432 ( -12.316 0.000 4.087) 12.977 6.520 ( 1.666 0.000 1.506) 2.246 7.024 ( -4.052 0.000 0.597) 4.096 7.355 ( -0.396 0.000 -1.671) 1.717 7.380 ( -0.932 0.000 3.847) 3.959 7.713 ( 3.428 0.000 13.334) 13.767 7.789 ( 3.440 0.000 6.078) 6.984 7.884 ( -2.202 0.000 -5.002) 5.465 7.884 ( 3.882 0.000 1.080) 4.030 7.971 ( 3.337 0.000 2.001) 3.891 7.990 ( 7.827 0.000 -7.346) 10.735 9.140 ( -10.311 0.000 4.578) 11.282 9.363 ( -0.125 0.000 -5.445) 5.446 9.419 ( -1.713 0.000 -3.535) 3.928 9.762 ( 0.253 0.000 -7.421) 7.426 10.085 ( -0.485 0.000 1.051) 1.158 10.305 ( -21.274 0.000 -2.084) 21.376 11.154 ( -1.963 0.000 3.972) 4.431 11.431 ( -15.375 0.000 22.087) 26.911 12.027 ( -24.079 0.000 19.599) 31.047 12.055 ( -3.594 0.000 3.783) 5.218 12.200 ( 1.234 0.000 -9.374) 9.455 12.558 ( 3.071 0.000 -4.024) 5.062 12.744 ( 20.008 0.000 -3.636) 20.336 13.792 ( 1.757 0.000 -0.246) 1.774 14.195 ( 0.606 0.000 2.850) 2.914 14.209 ( 0.236 0.000 0.735) 0.772 15.572 ( -0.488 0.000 9.667) 9.679 16.423 ( -1.209 0.000 -0.155) 1.219 16.937 ( -1.883 0.000 -3.048) 3.583 17.053 ( 10.269 0.000 -6.521) 12.164 ======================= Grid point 65 (23/164) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 13.632 0.000 16.162) 21.143 1.449 ( 9.979 0.000 25.783) 27.647 2.208 ( 22.409 0.000 20.227) 30.188 2.845 ( 5.200 0.000 -0.002) 5.200 3.026 ( -8.889 0.000 9.711) 13.165 3.253 ( -7.128 0.000 -3.020) 7.742 3.631 ( 0.788 0.000 -8.954) 8.989 3.877 ( 0.436 0.000 -4.209) 4.231 4.103 ( -0.297 0.000 -0.719) 0.778 4.167 ( 9.845 0.000 -3.563) 10.470 4.434 ( 0.906 0.000 1.642) 1.875 4.801 ( -1.517 0.000 -4.501) 4.750 4.961 ( 2.257 0.000 -3.004) 3.757 5.180 ( -1.132 0.000 -2.184) 2.460 5.599 ( -6.459 0.000 -2.934) 7.094 5.793 ( -5.829 0.000 6.353) 8.622 5.989 ( 4.173 0.000 -0.640) 4.221 6.238 ( -8.051 0.000 -0.924) 8.104 6.595 ( 5.704 0.000 -0.648) 5.741 6.916 ( -6.990 0.000 0.411) 7.002 7.261 ( -7.091 0.000 -3.438) 7.881 7.412 ( 0.284 0.000 4.061) 4.071 7.703 ( -5.715 0.000 -7.385) 9.338 7.802 ( -2.234 0.000 -5.835) 6.248 7.877 ( 6.047 0.000 10.832) 12.405 8.028 ( -0.215 0.000 8.046) 8.048 8.113 ( 8.857 0.000 13.529) 16.170 8.194 ( 15.330 0.000 -5.476) 16.278 8.997 ( -7.569 0.000 0.395) 7.579 9.340 ( -4.535 0.000 -1.978) 4.947 9.363 ( 3.599 0.000 -4.035) 5.407 9.715 ( 0.183 0.000 -6.454) 6.456 9.889 ( -20.593 0.000 2.220) 20.712 10.060 ( -3.211 0.000 1.701) 3.634 11.151 ( -1.001 0.000 3.828) 3.956 11.344 ( -8.497 0.000 17.687) 19.622 11.940 ( -2.121 0.000 8.096) 8.370 12.018 ( -2.540 0.000 3.997) 4.736 12.163 ( 1.867 0.000 -8.969) 9.161 12.567 ( 0.492 0.000 -5.759) 5.780 13.079 ( 18.986 0.000 -6.702) 20.134 13.855 ( 4.338 0.000 3.044) 5.299 14.213 ( -1.536 0.000 4.543) 4.795 14.225 ( 1.018 0.000 -0.949) 1.392 15.600 ( -3.499 0.000 8.764) 9.436 16.410 ( 0.092 0.000 -0.333) 0.345 16.850 ( -3.678 0.000 -3.359) 4.981 17.145 ( 3.734 0.000 -2.865) 4.707 ======================= Grid point 66 (24/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 10.443 0.000 11.896) 15.829 1.749 ( 3.798 0.000 21.475) 21.809 2.629 ( 11.503 0.000 6.375) 13.151 2.882 ( -1.778 0.000 -0.969) 2.025 2.937 ( -7.379 0.000 10.654) 12.960 3.149 ( -1.068 0.000 -1.221) 1.622 3.602 ( 2.227 0.000 -6.969) 7.316 3.843 ( -0.965 0.000 -3.771) 3.893 4.067 ( -1.295 0.000 -3.654) 3.876 4.335 ( 10.086 0.000 -0.889) 10.125 4.448 ( -0.674 0.000 0.339) 0.755 4.755 ( 0.515 0.000 -6.702) 6.722 4.933 ( -1.971 0.000 -2.640) 3.294 5.200 ( 3.803 0.000 -3.106) 4.911 5.448 ( -8.596 0.000 -2.047) 8.837 5.691 ( -8.528 0.000 5.681) 10.247 6.067 ( 3.482 0.000 1.376) 3.744 6.154 ( -0.562 0.000 0.574) 0.803 6.665 ( 1.538 0.000 -7.678) 7.830 6.833 ( -0.545 0.000 2.547) 2.604 7.074 ( -8.497 0.000 -3.203) 9.081 7.401 ( -4.145 0.000 0.881) 4.238 7.571 ( -2.163 0.000 -3.434) 4.058 7.735 ( -1.147 0.000 -3.095) 3.301 8.073 ( 6.622 0.000 7.639) 10.109 8.076 ( -1.103 0.000 10.555) 10.612 8.337 ( 5.352 0.000 6.584) 8.485 8.420 ( 12.484 0.000 -7.537) 14.583 8.869 ( -5.846 0.000 3.209) 6.669 9.238 ( -5.060 0.000 0.794) 5.122 9.425 ( 4.693 0.000 -2.844) 5.487 9.584 ( -13.090 0.000 2.657) 13.357 9.692 ( 1.044 0.000 -3.011) 3.186 9.991 ( -5.001 0.000 1.540) 5.233 11.164 ( -0.382 0.000 3.027) 3.051 11.311 ( -5.612 0.000 10.087) 11.543 11.959 ( -1.287 0.000 4.797) 4.967 12.015 ( -0.646 0.000 2.461) 2.544 12.164 ( 3.875 0.000 -6.381) 7.465 12.507 ( -2.015 0.000 -4.320) 4.767 13.372 ( 16.644 0.000 -6.327) 17.806 13.989 ( 6.227 0.000 4.756) 7.835 14.193 ( -4.625 0.000 6.435) 7.925 14.224 ( -0.188 0.000 -1.420) 1.432 15.558 ( -5.477 0.000 4.563) 7.129 16.423 ( 0.945 0.000 1.010) 1.383 16.764 ( -2.336 0.000 -5.075) 5.587 17.174 ( 1.383 0.000 -2.436) 2.801 ======================= Grid point 67 (25/164) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.901 0.000 8.096) 8.146 1.858 ( -6.080 0.000 15.916) 17.038 2.738 ( -0.053 0.000 -2.307) 2.308 2.821 ( -2.095 0.000 -0.033) 2.095 2.894 ( -5.392 0.000 10.220) 11.555 3.165 ( 1.631 0.000 -0.008) 1.631 3.625 ( 4.293 0.000 -4.640) 6.321 3.796 ( -0.890 0.000 -4.244) 4.336 4.021 ( -0.110 0.000 -5.272) 5.273 4.417 ( -1.468 0.000 -2.128) 2.585 4.532 ( 10.397 0.000 -0.305) 10.402 4.707 ( -1.605 0.000 -7.615) 7.783 4.880 ( -1.201 0.000 -3.458) 3.660 5.238 ( 2.461 0.000 -4.484) 5.115 5.249 ( -8.665 0.000 -2.396) 8.990 5.593 ( -4.021 0.000 1.417) 4.264 6.118 ( 0.448 0.000 0.937) 1.038 6.200 ( 2.190 0.000 6.137) 6.516 6.603 ( 0.152 0.000 -7.858) 7.860 6.753 ( -5.571 0.000 -11.329) 12.625 7.065 ( 4.427 0.000 9.984) 10.921 7.330 ( -1.547 0.000 0.345) 1.585 7.560 ( 0.540 0.000 0.859) 1.015 7.716 ( 0.421 0.000 -0.972) 1.059 8.134 ( -0.775 0.000 11.318) 11.345 8.153 ( -2.953 0.000 0.456) 2.988 8.319 ( -6.362 0.000 -7.774) 10.045 8.587 ( 12.547 0.000 -8.703) 15.270 8.881 ( 0.539 0.000 13.097) 13.108 9.179 ( -4.030 0.000 6.186) 7.383 9.412 ( -3.944 0.000 -0.032) 3.944 9.514 ( 2.894 0.000 2.241) 3.660 9.715 ( 1.918 0.000 0.522) 1.988 9.907 ( -3.912 0.000 0.551) 3.951 11.167 ( -1.187 0.000 1.602) 1.994 11.261 ( -5.175 0.000 5.061) 7.239 11.952 ( -2.087 0.000 2.695) 3.408 11.994 ( -2.234 0.000 -2.213) 3.144 12.214 ( 4.416 0.000 -3.021) 5.350 12.490 ( 2.247 0.000 1.661) 2.794 13.620 ( 13.936 0.000 -5.766) 15.082 14.082 ( -1.034 0.000 0.384) 1.103 14.128 ( -7.710 0.000 9.177) 11.986 14.239 ( 2.984 0.000 3.646) 4.712 15.468 ( -5.048 0.000 -0.569) 5.080 16.453 ( 0.783 0.000 2.598) 2.713 16.693 ( -0.603 0.000 -7.598) 7.622 17.167 ( 0.030 0.000 -3.289) 3.290 ======================= Grid point 68 (26/164) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -11.073 0.000 6.329) 12.754 1.743 ( -15.438 0.000 11.851) 19.462 2.590 ( -12.128 0.000 -9.481) 15.395 2.831 ( 2.481 0.000 -0.170) 2.487 2.884 ( -2.734 0.000 10.330) 10.686 3.186 ( 0.488 0.000 0.737) 0.884 3.688 ( 4.071 0.000 -2.146) 4.602 3.761 ( 1.239 0.000 -5.869) 5.998 3.992 ( 1.081 0.000 -6.508) 6.597 4.379 ( -0.368 0.000 -3.137) 3.158 4.511 ( -11.763 0.000 -4.397) 12.558 4.733 ( 10.054 0.000 -4.255) 10.917 4.850 ( 1.367 0.000 -4.528) 4.730 5.194 ( 4.776 0.000 -0.937) 4.867 5.223 ( -0.536 0.000 -5.389) 5.416 5.552 ( -0.641 0.000 -0.850) 1.065 6.086 ( -2.842 0.000 -2.670) 3.900 6.294 ( 1.886 0.000 8.614) 8.818 6.520 ( -2.737 0.000 -10.521) 10.871 6.678 ( 4.400 0.000 -2.944) 5.294 7.230 ( 4.959 0.000 8.296) 9.665 7.360 ( 2.650 0.000 2.593) 3.708 7.584 ( 1.372 0.000 -0.058) 1.374 7.731 ( 1.596 0.000 -0.850) 1.808 7.989 ( -9.867 0.000 -7.276) 12.259 8.047 ( -9.116 0.000 -14.860) 17.433 8.238 ( -2.088 0.000 19.280) 19.393 8.778 ( 10.148 0.000 -2.569) 10.468 8.987 ( 1.327 0.000 10.041) 10.128 9.142 ( -4.661 0.000 6.543) 8.033 9.390 ( 0.339 0.000 1.857) 1.888 9.605 ( 4.498 0.000 4.788) 6.570 9.739 ( 0.068 0.000 -0.554) 0.558 9.891 ( 1.803 0.000 1.682) 2.466 11.140 ( -2.157 0.000 0.175) 2.164 11.184 ( -5.431 0.000 1.936) 5.765 11.917 ( -3.046 0.000 1.337) 3.327 11.920 ( -2.247 0.000 -3.857) 4.464 12.281 ( 3.750 0.000 -0.283) 3.761 12.604 ( 6.049 0.000 5.701) 8.312 13.817 ( 10.711 0.000 -5.096) 11.861 13.983 ( -6.849 0.000 -3.071) 7.506 14.041 ( -9.255 0.000 14.139) 16.898 14.342 ( 2.311 0.000 6.940) 7.315 15.377 ( -2.483 0.000 -3.982) 4.693 16.482 ( 0.006 0.000 3.467) 3.467 16.632 ( 0.736 0.000 -11.555) 11.579 17.133 ( -0.862 0.000 -4.196) 4.283 ======================= Grid point 69 (27/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -18.851 0.000 7.892) 20.436 1.460 ( -21.986 0.000 10.434) 24.336 2.157 ( -25.629 0.000 -10.868) 27.839 2.848 ( -1.215 0.000 -2.573) 2.846 2.907 ( -2.044 0.000 8.006) 8.262 3.227 ( 4.110 0.000 1.289) 4.307 3.716 ( 2.018 0.000 -4.559) 4.986 3.790 ( 4.700 0.000 -4.135) 6.260 3.962 ( 0.641 0.000 -7.500) 7.527 4.255 ( -9.323 0.000 -7.833) 12.177 4.369 ( 1.252 0.000 -1.934) 2.304 4.879 ( 4.532 0.000 -4.758) 6.571 4.884 ( 7.691 0.000 -1.111) 7.771 5.158 ( -1.582 0.000 -5.178) 5.414 5.376 ( 11.626 0.000 4.777) 12.570 5.560 ( 3.400 0.000 -3.001) 4.535 5.999 ( -2.084 0.000 -7.469) 7.754 6.371 ( 0.028 0.000 7.717) 7.717 6.441 ( -0.541 0.000 -2.727) 2.780 6.786 ( 7.877 0.000 -2.610) 8.298 7.334 ( 0.810 0.000 4.502) 4.574 7.411 ( -0.985 0.000 3.451) 3.588 7.559 ( -2.445 0.000 -9.211) 9.530 7.689 ( -8.039 0.000 -5.781) 9.902 7.819 ( 1.511 0.000 -3.298) 3.627 7.837 ( -1.972 0.000 -6.185) 6.492 8.337 ( -3.772 0.000 21.495) 21.823 8.827 ( -9.501 0.000 9.322) 13.310 9.086 ( 4.919 0.000 4.856) 6.912 9.160 ( 7.565 0.000 -4.235) 8.670 9.425 ( 0.710 0.000 5.669) 5.714 9.738 ( 1.758 0.000 -3.150) 3.607 9.759 ( 7.230 0.000 7.870) 10.687 9.958 ( 2.739 0.000 2.549) 3.741 11.084 ( -6.258 0.000 1.466) 6.427 11.101 ( -1.422 0.000 -0.317) 1.457 11.854 ( -4.091 0.000 0.256) 4.099 11.884 ( 0.640 0.000 -1.823) 1.932 12.348 ( 2.820 0.000 1.256) 3.087 12.752 ( 4.059 0.000 6.443) 7.615 13.817 ( -7.038 0.000 -4.468) 8.336 13.952 ( 5.561 0.000 -0.608) 5.594 14.007 ( -5.467 0.000 20.782) 21.489 14.394 ( -1.802 0.000 6.569) 6.812 15.332 ( 0.707 0.000 -3.978) 4.040 16.498 ( -0.909 0.000 3.600) 3.713 16.544 ( 0.318 0.000 -19.613) 19.616 17.084 ( -1.090 0.000 -4.029) 4.174 ======================= Grid point 70 (28/164) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -22.768 0.000 12.114) 25.790 1.065 ( -26.248 0.000 6.986) 27.161 1.532 ( -34.440 0.000 1.707) 34.482 2.758 ( -5.097 0.000 -2.631) 5.736 2.905 ( -3.019 0.000 5.443) 6.224 3.349 ( 7.254 0.000 -0.110) 7.255 3.731 ( 3.864 0.000 -7.575) 8.504 3.846 ( 3.604 0.000 -3.326) 4.904 3.923 ( 0.588 0.000 -5.667) 5.698 4.054 ( -5.938 0.000 -10.992) 12.494 4.394 ( 1.895 0.000 -0.603) 1.989 4.897 ( 0.273 0.000 -6.352) 6.358 4.995 ( 3.644 0.000 0.658) 3.703 5.154 ( 4.895 0.000 -2.854) 5.666 5.573 ( 5.892 0.000 -0.147) 5.894 5.749 ( 16.298 0.000 7.532) 17.954 5.923 ( 0.695 0.000 -10.362) 10.385 6.383 ( -3.602 0.000 4.612) 5.852 6.451 ( 0.613 0.000 4.019) 4.065 6.920 ( 7.959 0.000 -3.032) 8.516 7.307 ( -5.540 0.000 -6.862) 8.820 7.307 ( -3.014 0.000 -4.847) 5.708 7.496 ( -0.455 0.000 0.954) 1.057 7.521 ( -5.795 0.000 1.522) 5.991 7.846 ( 2.792 0.000 -1.129) 3.011 7.876 ( 4.754 0.000 -2.766) 5.500 8.324 ( -10.901 0.000 12.809) 16.820 8.611 ( -18.288 0.000 9.758) 20.729 9.248 ( 8.896 0.000 -0.433) 8.907 9.305 ( 9.899 0.000 -6.661) 11.931 9.514 ( 2.571 0.000 11.974) 12.247 9.763 ( 3.339 0.000 -4.218) 5.380 10.010 ( 12.781 0.000 16.054) 20.520 10.012 ( 1.496 0.000 1.444) 2.079 10.979 ( -7.023 0.000 6.663) 9.681 11.095 ( 0.755 0.000 0.712) 1.038 11.778 ( -3.733 0.000 0.379) 3.752 11.917 ( 3.085 0.000 0.483) 3.123 12.398 ( 1.502 0.000 0.926) 1.764 12.802 ( -3.686 0.000 5.087) 6.282 13.698 ( -1.178 0.000 -5.012) 5.149 14.049 ( 4.833 0.000 -1.612) 5.095 14.173 ( 4.024 0.000 44.388) 44.570 14.367 ( -4.915 0.000 4.975) 6.993 15.349 ( 2.683 0.000 -0.842) 2.812 16.314 ( -6.951 0.000 -37.775) 38.409 16.496 ( -1.681 0.000 3.204) 3.618 17.047 ( -0.376 0.000 -2.348) 2.378 ======================= Grid point 71 (29/164) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -26.054 0.000 6.136) 26.766 0.706 ( -21.848 0.000 19.786) 29.476 1.031 ( -27.613 0.000 33.664) 43.540 2.664 ( -3.009 0.000 -0.483) 3.047 2.901 ( -0.023 0.000 9.164) 9.164 3.463 ( 4.985 0.000 -2.440) 5.550 3.731 ( 0.356 0.000 -11.748) 11.753 3.853 ( -5.870 0.000 -5.392) 7.970 3.885 ( 1.716 0.000 -4.084) 4.429 3.925 ( 2.166 0.000 -0.894) 2.343 4.418 ( 0.851 0.000 -0.593) 1.037 4.845 ( -0.002 0.000 -5.979) 5.979 5.018 ( -1.483 0.000 0.005) 1.483 5.251 ( 5.572 0.000 -2.142) 5.970 5.680 ( 6.836 0.000 -3.863) 7.852 5.886 ( 3.130 0.000 -11.090) 11.523 6.090 ( 3.912 0.000 7.448) 8.413 6.365 ( 6.789 0.000 4.486) 8.137 6.494 ( -0.697 0.000 6.796) 6.832 7.021 ( 3.819 0.000 -2.074) 4.346 7.251 ( 3.524 0.000 -6.683) 7.555 7.259 ( 5.303 0.000 -0.648) 5.342 7.475 ( -1.933 0.000 5.117) 5.470 7.497 ( -1.951 0.000 4.020) 4.469 7.887 ( 1.957 0.000 -0.898) 2.153 7.938 ( 3.766 0.000 -3.529) 5.161 8.113 ( -15.684 0.000 3.368) 16.041 8.312 ( -18.492 0.000 6.724) 19.677 9.354 ( 4.478 0.000 -5.399) 7.015 9.415 ( 6.238 0.000 -6.532) 9.032 9.594 ( -2.166 0.000 0.116) 2.170 9.794 ( 2.903 0.000 -5.055) 5.830 10.042 ( 1.292 0.000 0.371) 1.345 10.487 ( 18.614 0.000 9.022) 20.685 11.040 ( 10.196 0.000 28.687) 30.445 11.129 ( 1.252 0.000 2.401) 2.708 11.755 ( 1.608 0.000 4.490) 4.769 11.995 ( 3.996 0.000 1.851) 4.403 12.413 ( -0.046 0.000 -0.290) 0.294 12.694 ( -8.793 0.000 1.967) 9.010 13.705 ( 4.264 0.000 -4.223) 6.001 14.111 ( 2.927 0.000 -0.869) 3.053 14.292 ( -5.649 0.000 3.667) 6.735 15.003 ( 47.997 0.000 65.118) 80.895 15.414 ( 2.942 0.000 3.456) 4.539 15.528 ( -48.201 0.000 -65.080) 80.986 16.479 ( -2.104 0.000 2.365) 3.166 17.036 ( 0.315 0.000 -1.344) 1.381 ======================= Grid point 72 (30/164) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 13.638 16.750 19.112) 28.842 0.859 ( -0.004 19.692 20.442) 28.385 1.394 ( -5.102 28.974 31.880) 43.380 2.581 ( 2.288 -7.088 3.276) 8.137 3.007 ( 1.529 -1.139 8.227) 8.445 3.557 ( 4.303 -3.727 -2.909) 6.393 3.699 ( 0.402 4.877 -10.601) 11.676 3.851 ( 3.818 4.466 -5.278) 7.898 3.941 ( 2.925 0.004 0.158) 2.929 4.090 ( 1.943 12.472 -2.310) 12.832 4.249 ( -3.901 -11.875 2.064) 12.669 4.727 ( 2.578 -8.014 -1.659) 8.580 5.093 ( -0.614 7.025 -1.946) 7.315 5.281 ( 0.603 0.047 -2.057) 2.144 5.776 ( 3.733 -0.515 -0.626) 3.820 5.866 ( -1.582 -1.468 -10.117) 10.345 5.947 ( -4.888 -3.409 -1.782) 6.220 6.447 ( 2.587 -2.367 7.769) 8.523 6.564 ( -1.786 1.929 3.523) 4.396 7.092 ( 0.797 2.417 -2.108) 3.304 7.270 ( 0.422 -2.945 -1.909) 3.535 7.368 ( -4.036 -4.525 2.144) 6.431 7.538 ( 10.103 2.643 2.336) 10.701 7.596 ( 8.881 1.851 3.985) 9.908 7.894 ( 0.724 -0.574 -4.027) 4.132 7.925 ( -7.302 2.086 5.968) 9.658 7.975 ( 3.540 -0.289 -3.287) 4.839 8.047 ( -11.049 0.856 2.772) 11.423 9.260 ( -4.769 -3.952 0.000) 6.194 9.424 ( 2.122 -1.014 -5.108) 5.624 9.471 ( -5.962 1.574 -1.583) 6.366 9.777 ( 2.891 -1.951 6.636) 7.497 9.976 ( 3.399 -6.985 1.933) 8.005 10.594 ( -3.359 1.329 -5.179) 6.314 11.019 ( -2.071 -7.407 8.805) 11.691 11.452 ( 1.982 -6.172 3.805) 7.516 11.863 ( 6.740 -3.930 4.987) 9.260 12.103 ( -1.166 2.419 2.871) 3.931 12.346 ( 7.259 -3.153 -0.125) 7.915 12.608 ( -8.973 2.668 3.784) 10.097 12.784 ( -31.666 -11.230 14.488) 36.589 14.160 ( 2.431 2.111 -2.754) 4.237 14.184 ( 2.307 1.681 -0.422) 2.886 14.559 ( -30.661 22.656 -24.425) 45.276 15.498 ( 1.595 -0.075 7.518) 7.685 15.957 ( 23.452 -15.499 18.596) 33.705 16.947 ( 9.952 8.755 -9.422) 16.262 17.053 ( -0.422 3.543 -4.062) 5.407 ======================= Grid point 73 (31/164) ======================= q-point: ( 0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 9.185 20.188 14.194) 26.332 1.212 ( 12.270 12.875 22.804) 28.919 1.736 ( 16.185 15.850 30.784) 38.221 2.673 ( 4.843 -6.080 2.570) 8.187 3.048 ( -3.274 -2.340 7.102) 8.162 3.517 ( -5.396 4.114 -0.645) 6.816 3.690 ( 4.197 0.911 -13.684) 14.342 3.891 ( 2.791 1.108 -4.992) 5.826 4.005 ( 4.320 3.054 0.798) 5.350 4.102 ( 0.506 0.580 -1.297) 1.508 4.246 ( 2.569 -8.367 3.311) 9.358 4.779 ( 3.037 -7.112 -0.257) 7.738 5.055 ( -1.609 9.279 -2.794) 9.823 5.241 ( -3.033 -1.099 -2.463) 4.059 5.706 ( -4.679 -0.832 -3.270) 5.769 5.808 ( -2.701 -2.961 0.133) 4.010 5.953 ( 5.248 -0.342 -3.925) 6.562 6.424 ( -9.094 0.934 3.778) 9.892 6.568 ( 1.745 3.838 1.781) 4.577 7.035 ( -5.530 1.040 -0.341) 5.637 7.259 ( -1.326 -7.039 -1.897) 7.410 7.343 ( -0.113 -3.720 2.930) 4.737 7.665 ( -1.164 -4.691 5.438) 7.276 7.742 ( 2.425 -0.359 3.345) 4.147 7.860 ( -1.858 -2.020 2.420) 3.659 7.907 ( 3.463 1.407 -3.597) 5.188 8.007 ( 8.034 5.163 2.663) 9.914 8.077 ( 6.427 2.974 -1.707) 7.284 9.146 ( -7.537 0.896 3.146) 8.216 9.378 ( -2.359 0.383 -4.508) 5.103 9.415 ( 0.532 0.541 -3.408) 3.492 9.825 ( 0.788 3.248 -1.417) 3.630 10.023 ( -0.483 -5.425 2.971) 6.204 10.346 ( -18.227 3.928 -4.637) 19.214 11.024 ( -2.985 -8.441 9.042) 12.725 11.416 ( -7.254 -4.238 9.952) 13.024 11.954 ( -0.752 -0.771 5.015) 5.130 12.102 ( -5.271 3.286 7.232) 9.533 12.163 ( -9.603 0.151 1.481) 9.717 12.654 ( 2.367 3.655 -3.422) 5.538 12.734 ( 18.293 -0.653 -2.113) 18.426 14.063 ( -8.372 18.309 -10.243) 22.588 14.205 ( -0.818 0.689 2.106) 2.362 14.224 ( 1.559 1.812 0.911) 2.558 15.566 ( -0.831 -0.535 9.623) 9.674 16.282 ( 5.699 -9.539 6.026) 12.640 16.982 ( -3.319 3.097 -4.550) 6.427 17.061 ( 6.821 0.766 -5.004) 8.494 ======================= Grid point 74 (32/164) ======================= q-point: ( 0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 12.320 16.364 11.102) 23.299 1.570 ( 8.830 10.413 23.232) 26.947 2.267 ( 18.872 5.848 19.023) 27.426 2.782 ( 4.901 -5.865 1.519) 7.793 2.995 ( -6.346 -0.455 5.244) 8.245 3.382 ( -7.888 9.004 -0.286) 11.974 3.666 ( 2.595 1.197 -9.772) 10.181 3.866 ( -1.401 -2.301 -4.005) 4.827 4.076 ( 1.163 0.150 -1.454) 1.868 4.142 ( 5.965 -3.516 -0.041) 6.924 4.350 ( 5.036 -2.579 1.473) 5.847 4.812 ( 0.025 -4.039 -0.580) 4.081 4.998 ( -1.775 3.892 -3.637) 5.615 5.156 ( -3.496 -0.139 -1.877) 3.970 5.626 ( -2.394 2.804 -2.289) 4.340 5.765 ( -3.954 -2.308 4.964) 6.753 6.007 ( 1.528 -0.442 -1.371) 2.100 6.268 ( -5.883 3.251 -1.126) 6.815 6.629 ( 4.096 3.011 -0.490) 5.107 6.901 ( -7.909 -1.213 0.690) 8.031 7.154 ( -7.471 -8.407 -3.592) 11.806 7.387 ( 1.642 -3.383 3.912) 5.426 7.609 ( -5.104 -5.821 -4.378) 8.894 7.780 ( 1.367 -2.340 3.013) 4.052 7.861 ( 2.337 0.656 -1.934) 3.103 8.019 ( 6.469 -2.404 2.928) 7.496 8.180 ( 5.064 5.796 7.376) 10.661 8.255 ( 11.998 4.086 1.294) 12.741 9.019 ( -7.468 1.932 1.278) 7.819 9.297 ( -4.173 -2.110 -1.951) 5.067 9.427 ( 3.097 3.327 -2.546) 5.210 9.794 ( -4.138 3.167 -1.067) 5.319 9.960 ( -15.371 8.862 -3.300) 18.048 10.003 ( -3.961 -4.856 2.392) 6.707 11.038 ( -1.333 -7.987 6.585) 10.437 11.376 ( -4.090 -0.536 8.817) 9.734 11.930 ( -4.853 -3.068 -0.958) 5.821 11.999 ( -2.700 4.390 8.657) 10.075 12.196 ( 4.151 2.823 0.437) 5.039 12.656 ( 0.336 5.285 -6.594) 8.458 13.071 ( 19.288 -0.624 -5.446) 20.052 13.960 ( 0.454 8.827 0.047) 8.839 14.211 ( -0.469 0.110 1.344) 1.428 14.248 ( -0.135 1.803 1.453) 2.320 15.587 ( -3.676 -1.068 8.550) 9.368 16.361 ( 1.283 -3.815 2.079) 4.530 16.889 ( -3.084 3.147 -4.111) 6.026 17.133 ( 3.571 -0.824 -2.548) 4.464 ======================= Grid point 75 (33/164) ======================= q-point: ( 0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 9.225 12.262 7.925) 17.270 1.841 ( 3.640 8.609 20.090) 22.158 2.631 ( 9.181 0.477 6.690) 11.370 2.868 ( 2.419 -2.474 -0.661) 3.522 2.902 ( -5.492 -1.199 6.505) 8.597 3.250 ( -5.715 8.909 1.498) 10.690 3.673 ( 4.303 4.383 -6.932) 9.262 3.807 ( -1.639 -4.163 -3.923) 5.951 4.068 ( -0.028 1.115 -3.070) 3.267 4.283 ( 7.829 -3.307 1.960) 8.722 4.421 ( 2.570 -1.219 -2.547) 3.818 4.768 ( -2.266 0.279 -3.685) 4.335 4.945 ( -1.965 -4.979 -2.815) 6.048 5.103 ( -1.044 0.760 -1.272) 1.812 5.531 ( -8.587 4.217 1.114) 9.632 5.726 ( -2.313 2.433 3.011) 4.509 6.010 ( 0.828 -3.317 -0.398) 3.442 6.229 ( 1.286 4.821 -0.174) 4.992 6.659 ( -0.942 -0.541 -6.748) 6.835 6.820 ( 0.196 -1.005 2.720) 2.906 6.964 ( -8.717 -9.017 -2.719) 12.833 7.430 ( -1.889 1.193 2.808) 3.588 7.465 ( -3.104 -6.009 -4.299) 8.014 7.803 ( 1.062 2.427 -2.175) 3.428 7.941 ( 3.840 -4.762 4.774) 7.760 8.158 ( 5.366 0.360 4.267) 6.865 8.332 ( 5.810 1.126 3.752) 7.007 8.436 ( 6.801 1.665 -4.898) 8.545 8.909 ( -5.326 3.155 5.743) 8.444 9.200 ( -5.510 -2.528 1.964) 6.372 9.484 ( 3.626 3.203 -0.659) 4.882 9.584 ( -12.703 0.450 0.039) 12.711 9.834 ( 0.626 12.229 -3.425) 12.715 9.933 ( -5.204 -5.030 2.708) 7.728 11.055 ( -1.017 -7.581 4.298) 8.774 11.362 ( -2.818 0.924 5.377) 6.141 11.846 ( -2.668 -6.638 -1.477) 7.305 12.021 ( -1.387 4.792 6.164) 7.930 12.304 ( 6.477 6.744 1.522) 9.473 12.573 ( -3.478 5.033 -6.810) 9.154 13.379 ( 17.170 0.679 -5.751) 18.120 14.035 ( 4.707 4.163 3.145) 7.027 14.199 ( -2.861 0.414 4.455) 5.311 14.233 ( -2.028 0.916 0.617) 2.309 15.544 ( -5.386 -1.235 4.429) 7.082 16.385 ( 0.307 -2.832 1.246) 3.109 16.817 ( -1.414 4.203 -4.423) 6.263 17.164 ( 1.536 -0.810 -2.537) 3.074 ======================= Grid point 76 (34/164) ======================= q-point: ( 0.44 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -1.782 6.825 4.791) 8.527 1.969 ( -2.750 10.556 14.287) 17.975 2.703 ( -2.460 -2.472 -1.382) 3.751 2.821 ( -2.082 1.434 2.099) 3.286 2.944 ( 0.242 0.556 4.591) 4.631 3.195 ( -1.687 5.807 2.525) 6.553 3.728 ( 5.267 7.539 -4.933) 10.436 3.759 ( -0.125 -4.468 -4.622) 6.430 4.035 ( -0.807 2.115 -3.690) 4.329 4.385 ( -0.332 -2.566 -3.115) 4.049 4.482 ( 8.264 -3.292 0.341) 8.902 4.693 ( -2.833 -0.646 -6.568) 7.182 4.880 ( -1.967 -6.148 -3.208) 7.208 5.086 ( 0.595 0.028 -2.886) 2.947 5.351 ( -9.569 3.337 2.517) 10.443 5.714 ( 0.006 7.334 -1.838) 7.561 6.042 ( 1.307 -4.170 2.048) 4.826 6.270 ( 1.704 3.926 1.856) 4.664 6.582 ( -0.331 -1.917 -5.873) 6.186 6.716 ( -5.996 -3.590 -10.578) 12.678 6.974 ( 3.883 -6.614 8.767) 11.648 7.361 ( -0.600 1.788 -0.812) 2.053 7.479 ( 0.191 -4.599 3.388) 5.715 7.811 ( 1.684 5.480 -2.512) 6.259 8.039 ( 0.936 -5.578 9.148) 10.756 8.215 ( -2.031 3.133 -1.691) 4.098 8.338 ( -5.688 1.877 -7.722) 9.773 8.528 ( 11.615 -4.358 -7.814) 14.661 8.919 ( -1.436 2.411 12.922) 13.223 9.135 ( -5.043 -2.885 8.026) 9.908 9.413 ( -5.141 -0.735 0.704) 5.241 9.555 ( 4.048 3.792 0.152) 5.549 9.811 ( -2.770 0.689 -2.658) 3.900 9.896 ( 0.767 6.125 4.288) 7.516 11.050 ( -1.951 -7.248 2.093) 7.793 11.338 ( -2.593 2.169 2.640) 4.289 11.803 ( -0.846 -7.734 -2.171) 8.077 12.024 ( -2.256 4.471 4.933) 7.030 12.383 ( -0.788 8.804 -5.417) 10.367 12.534 ( 5.051 4.026 3.646) 7.417 13.637 ( 14.141 1.561 -5.639) 15.304 14.082 ( -2.599 0.104 -0.293) 2.618 14.147 ( -7.318 1.487 7.008) 10.241 14.253 ( 3.696 1.558 5.504) 6.811 15.456 ( -4.904 -1.042 -0.542) 5.043 16.390 ( -0.420 -4.206 0.290) 4.237 16.776 ( 0.361 5.950 -4.785) 7.644 17.158 ( 0.127 -0.775 -3.493) 3.581 ======================= Grid point 77 (35/164) ======================= q-point: (-0.44 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -11.782 4.016 3.040) 12.813 1.914 ( -12.085 13.346 10.162) 20.674 2.551 ( -10.321 -2.966 -8.505) 13.699 2.811 ( -1.406 -0.251 1.691) 2.213 2.966 ( -0.988 3.842 5.833) 7.054 3.208 ( 1.035 3.891 1.865) 4.437 3.742 ( 1.627 -2.080 -4.557) 5.267 3.788 ( 4.028 7.442 -3.251) 9.065 3.998 ( 0.162 1.125 -5.485) 5.601 4.331 ( -1.991 -3.823 -3.744) 5.709 4.468 ( -10.027 -3.404 -4.468) 11.493 4.709 ( 9.783 -1.164 -2.268) 10.109 4.849 ( 1.011 -3.172 -3.840) 5.082 5.102 ( 2.917 -2.163 -3.810) 5.263 5.260 ( -0.164 3.612 2.023) 4.143 5.687 ( -0.932 7.578 -3.647) 8.461 6.066 ( 0.133 -1.654 0.550) 1.748 6.303 ( 0.515 0.892 1.419) 1.754 6.526 ( -2.117 0.227 -7.527) 7.822 6.639 ( 4.273 -3.528 -2.382) 6.031 7.112 ( 4.553 -8.192 7.348) 11.910 7.396 ( 2.416 1.320 1.455) 3.114 7.506 ( 0.546 -4.419 2.950) 5.341 7.833 ( 2.528 5.995 -2.786) 7.077 7.989 ( -9.522 -0.060 -5.594) 11.044 8.088 ( -8.654 3.412 -12.011) 15.192 8.215 ( -0.525 -0.931 11.307) 11.357 8.720 ( 10.310 -5.008 -2.220) 11.675 8.983 ( -0.413 -0.577 9.745) 9.770 9.099 ( -4.871 -3.012 8.475) 10.228 9.379 ( -0.148 -1.087 1.271) 1.679 9.650 ( 4.760 4.185 3.177) 7.090 9.742 ( -1.325 -2.948 -3.395) 4.687 9.974 ( 3.241 9.129 5.076) 10.937 11.012 ( -2.733 -6.424 0.470) 6.997 11.299 ( -2.776 3.803 0.975) 4.808 11.778 ( 0.060 -6.274 -2.851) 6.892 12.002 ( -3.099 4.478 3.282) 6.358 12.309 ( -1.890 2.238 -3.007) 4.199 12.713 ( 7.850 7.738 6.535) 12.814 13.829 ( 9.487 1.177 -5.547) 11.053 13.981 ( -6.201 -0.009 -0.728) 6.244 14.042 ( -9.093 -0.011 9.605) 13.227 14.374 ( 3.003 2.910 8.238) 9.239 15.368 ( -2.406 -0.809 -3.853) 4.614 16.367 ( -1.478 -6.572 -2.706) 7.259 16.763 ( 1.743 7.985 -4.974) 9.567 17.125 ( -0.746 -0.729 -4.282) 4.407 ======================= Grid point 78 (36/164) ======================= q-point: (-0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -16.863 5.338 4.305) 18.204 1.657 ( -20.716 13.011 6.038) 25.198 2.199 ( -19.822 3.836 -8.216) 21.797 2.766 ( -4.093 -4.786 -0.549) 6.322 2.983 ( -1.565 4.186 5.178) 6.840 3.258 ( 3.926 2.529 -0.580) 4.706 3.751 ( 2.226 2.047 -3.898) 4.933 3.853 ( 4.866 5.097 -1.675) 7.243 3.957 ( 0.063 0.160 -7.487) 7.489 4.207 ( -8.381 -2.801 -5.457) 10.386 4.322 ( -0.204 -3.866 -3.658) 5.326 4.797 ( 0.402 -7.008 -2.841) 7.573 4.933 ( 9.152 3.036 0.000) 9.642 5.095 ( 0.197 -2.122 -3.082) 3.747 5.413 ( 12.777 2.797 2.621) 13.340 5.640 ( -0.996 5.447 -3.533) 6.569 6.059 ( 0.912 4.114 -4.646) 6.272 6.319 ( 0.746 -3.043 1.234) 3.367 6.470 ( -1.335 1.188 -0.259) 1.806 6.749 ( 8.052 -3.187 -2.334) 8.969 7.235 ( 3.363 -7.633 6.126) 10.349 7.424 ( -1.341 -0.553 2.968) 3.304 7.510 ( -1.946 -1.930 -3.904) 4.770 7.730 ( -9.305 2.145 -10.324) 14.063 7.863 ( -1.802 3.477 -5.327) 6.612 7.879 ( 0.320 3.723 -4.893) 6.157 8.308 ( -2.800 -1.825 18.079) 18.385 8.789 ( -7.701 -3.615 9.186) 12.520 9.047 ( 3.311 -3.171 3.479) 5.755 9.125 ( 6.670 -2.365 -1.435) 7.220 9.400 ( 0.375 -1.988 3.978) 4.463 9.710 ( 1.431 -1.498 -3.085) 3.716 9.778 ( 4.642 0.652 2.183) 5.171 10.085 ( 5.222 9.490 5.721) 12.250 10.964 ( -2.425 -4.589 0.667) 5.233 11.250 ( -2.729 5.602 0.564) 6.257 11.770 ( 1.068 -3.893 -2.964) 5.008 11.959 ( -2.891 4.584 1.986) 5.772 12.282 ( -0.602 -2.955 0.978) 3.170 12.874 ( 3.330 7.622 6.484) 10.546 13.786 ( -9.231 -2.382 0.028) 9.534 13.963 ( -4.353 -1.257 9.251) 10.301 13.995 ( 4.859 1.583 -0.172) 5.113 14.473 ( 1.410 6.230 10.411) 12.214 15.325 ( 0.770 -0.596 -3.771) 3.895 16.280 ( -4.143 -9.641 -9.226) 13.973 16.771 ( 2.919 10.503 -5.650) 12.279 17.080 ( -0.847 -0.373 -3.772) 3.884 ======================= Grid point 79 (37/164) ======================= q-point: (-0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -18.661 9.258 8.721) 22.583 1.214 ( -26.710 9.374 -2.612) 28.428 1.766 ( -23.258 18.807 6.618) 30.634 2.659 ( -5.684 -7.329 -1.424) 9.384 2.971 ( -2.850 4.360 3.825) 6.463 3.346 ( 6.598 -0.635 -3.231) 7.374 3.776 ( 3.315 2.651 -4.040) 5.860 3.903 ( 0.309 -1.879 -5.255) 5.589 3.928 ( 1.775 3.359 -3.705) 5.307 4.045 ( -1.997 3.967 -7.920) 9.080 4.320 ( 0.195 -5.260 0.239) 5.269 4.760 ( -1.568 -10.201 -3.311) 10.839 5.062 ( 3.498 3.958 -1.299) 5.439 5.144 ( 6.890 0.077 -0.816) 6.938 5.612 ( 2.512 -0.975 -3.402) 4.340 5.718 ( 12.963 4.287 7.121) 15.399 6.045 ( 2.837 6.442 -9.047) 11.463 6.346 ( -1.163 -2.853 3.931) 4.995 6.454 ( -0.299 -0.352 2.409) 2.453 6.895 ( 9.183 -2.039 -3.233) 9.946 7.313 ( 1.191 -2.486 1.854) 3.322 7.362 ( -4.806 4.434 -3.683) 7.504 7.407 ( -2.503 -3.040 -2.284) 4.552 7.543 ( -4.807 0.594 -3.612) 6.042 7.836 ( 2.099 -0.153 -0.750) 2.234 7.912 ( 3.423 2.050 -4.595) 6.086 8.294 ( -10.567 -1.707 12.971) 16.818 8.601 ( -17.354 -1.101 10.411) 20.268 9.175 ( 7.596 -5.687 0.833) 9.525 9.272 ( 9.516 -2.626 -4.919) 11.030 9.463 ( 1.302 -3.758 12.027) 12.667 9.711 ( -0.141 -1.492 -3.145) 3.484 9.845 ( 2.126 -4.157 -0.642) 4.713 10.282 ( 11.581 9.656 6.149) 16.284 10.937 ( -1.857 -1.588 3.671) 4.410 11.221 ( -0.578 6.349 1.921) 6.658 11.765 ( 0.027 -0.184 -2.190) 2.198 11.950 ( 1.179 3.191 2.261) 4.085 12.284 ( -0.862 -5.970 2.586) 6.563 12.887 ( -5.912 4.512 4.180) 8.532 13.590 ( -14.185 -8.568 6.996) 17.988 14.017 ( 3.345 -3.390 8.232) 9.511 14.077 ( 4.050 1.462 -1.202) 4.471 14.634 ( 7.997 13.386 19.877) 25.264 15.345 ( 2.717 -0.367 -0.636) 2.814 16.040 ( -11.978 -12.076 -21.515) 27.426 16.796 ( 4.414 13.703 -7.338) 16.158 17.052 ( 0.076 0.581 -1.754) 1.849 ======================= Grid point 80 (38/164) ======================= q-point: (-0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -19.520 13.156 4.288) 23.927 0.868 ( -13.317 16.846 15.371) 26.408 1.457 ( -18.823 29.611 21.443) 41.121 2.568 ( -2.972 -7.746 1.196) 8.382 2.950 ( -1.593 3.900 5.412) 6.858 3.455 ( 7.484 -2.002 -4.370) 8.895 3.814 ( 2.182 -0.200 -3.566) 4.185 3.824 ( -3.190 1.511 -9.528) 10.161 3.900 ( 1.769 -1.189 -2.524) 3.304 4.057 ( 3.952 13.123 -4.054) 14.293 4.307 ( -2.502 -7.127 1.254) 7.657 4.718 ( -0.009 -9.410 -3.001) 9.877 5.098 ( 1.685 3.068 -2.144) 4.105 5.249 ( 3.878 2.269 -0.726) 4.552 5.673 ( 5.993 -2.439 -2.018) 6.777 5.914 ( 4.277 3.507 -6.345) 8.417 6.056 ( -1.477 -3.012 1.531) 3.687 6.329 ( 1.914 -0.963 2.032) 2.953 6.518 ( 2.014 0.471 7.161) 7.453 7.035 ( 7.172 0.486 -3.729) 8.098 7.276 ( 0.706 4.328 -3.147) 5.398 7.356 ( 4.674 4.920 -3.582) 7.674 7.400 ( 0.505 -5.094 3.520) 6.213 7.487 ( -0.774 -1.038 2.499) 2.814 7.880 ( 2.270 -0.289 -0.737) 2.404 7.938 ( 2.749 -0.697 -4.450) 5.277 8.109 ( -14.156 0.307 5.876) 15.330 8.314 ( -18.483 0.222 7.262) 19.860 9.283 ( 3.699 -6.058 -3.136) 7.760 9.386 ( 6.030 -2.057 -5.599) 8.482 9.619 ( -0.098 1.340 2.091) 2.486 9.626 ( -3.636 -9.044 14.478) 17.454 9.894 ( 4.274 -6.450 -1.334) 7.851 10.548 ( 10.350 2.889 0.522) 10.758 10.962 ( 0.447 -1.893 8.764) 8.978 11.290 ( 6.534 4.037 4.829) 9.073 11.761 ( 0.970 1.917 1.231) 2.476 12.032 ( 4.996 3.247 2.616) 6.508 12.280 ( -1.014 -6.773 2.467) 7.279 12.749 ( -9.006 2.603 1.332) 9.469 13.304 ( -25.896 -20.711 14.674) 36.261 14.118 ( 3.658 -0.581 -1.184) 3.888 14.138 ( 2.711 -0.183 0.573) 2.777 15.173 ( 28.320 6.228 30.013) 41.732 15.394 ( -4.272 -1.040 -5.087) 6.724 15.476 ( -21.353 -1.721 -24.468) 32.521 16.845 ( 7.233 15.326 -9.517) 19.436 17.057 ( 1.171 2.346 -1.225) 2.894 ======================= Grid point 81 (39/164) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 9.915 18.857 15.600) 26.406 1.340 ( 2.091 23.090 11.065) 25.689 2.017 ( -2.416 25.536 12.254) 28.427 2.378 ( 1.804 -11.370 5.862) 12.919 3.051 ( -0.548 3.914 4.110) 5.701 3.445 ( 3.947 -6.511 -3.096) 8.219 3.657 ( 0.416 -7.072 -3.487) 7.895 3.919 ( 2.054 -0.192 0.799) 2.213 3.974 ( 3.457 4.309 -2.306) 5.986 4.052 ( -3.923 -3.187 4.125) 6.525 4.390 ( -1.354 12.434 -5.748) 13.765 4.547 ( 1.986 -7.712 2.767) 8.431 5.126 ( 4.013 -1.856 -3.817) 5.841 5.374 ( -2.552 6.193 -1.710) 6.913 5.704 ( 5.535 -5.493 -0.647) 7.824 5.795 ( -6.840 -4.943 -0.869) 8.484 5.872 ( -2.550 -3.108 -7.233) 8.275 6.480 ( 4.575 3.855 4.521) 7.498 6.625 ( 1.157 3.614 2.646) 4.626 7.106 ( 3.396 -0.680 -4.675) 5.818 7.185 ( -3.716 -4.323 -2.638) 6.281 7.310 ( -2.841 -2.360 -2.828) 4.651 7.611 ( 4.922 1.183 1.318) 5.231 7.627 ( 5.510 4.898 4.255) 8.512 7.868 ( 1.627 -2.627 -4.496) 5.456 7.962 ( 4.204 0.701 1.495) 4.517 7.991 ( -6.081 3.112 6.782) 9.626 8.060 ( -10.532 0.196 2.060) 10.733 9.221 ( 0.127 -0.028 -1.257) 1.264 9.386 ( 1.710 -2.006 -0.607) 2.705 9.528 ( -4.239 3.270 -3.107) 6.190 9.718 ( 4.137 -3.132 13.752) 14.698 9.820 ( 3.768 -7.312 -1.230) 8.317 10.639 ( -3.192 2.806 -2.644) 5.005 10.926 ( -3.329 -2.053 3.315) 5.127 11.270 ( 0.364 -8.554 0.771) 8.596 11.918 ( 3.873 4.975 5.104) 8.112 12.167 ( -0.858 3.370 1.714) 3.877 12.305 ( 5.641 -1.334 -0.696) 5.838 12.656 ( -6.886 -3.292 3.062) 8.224 12.666 ( -12.217 2.432 6.220) 13.923 14.194 ( 2.649 1.388 -1.042) 3.167 14.213 ( 2.074 1.212 0.715) 2.506 14.863 ( -20.621 8.379 -21.721) 31.100 15.494 ( 1.128 -0.283 7.821) 7.907 15.767 ( 17.759 -4.364 16.466) 24.608 17.023 ( 2.973 1.532 -3.090) 4.553 17.141 ( -0.433 3.318 -6.075) 6.935 ======================= Grid point 82 (40/164) ======================= q-point: ( 0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 8.176 19.486 13.891) 25.288 1.513 ( 11.159 16.188 14.361) 24.348 2.150 ( 6.607 18.902 16.109) 25.699 2.493 ( 5.373 -9.733 5.404) 12.361 3.061 ( -1.728 2.758 3.802) 5.005 3.482 ( 2.111 -6.052 -1.297) 6.540 3.664 ( 3.546 -6.426 -8.510) 11.238 3.858 ( -7.889 -3.195 2.596) 8.898 4.025 ( 3.020 2.619 -0.376) 4.015 4.116 ( 5.436 3.772 2.367) 7.027 4.322 ( -0.970 8.911 -2.587) 9.330 4.613 ( 1.924 -7.113 4.342) 8.553 5.175 ( 2.750 0.528 -1.288) 3.083 5.249 ( -7.922 2.893 -3.913) 9.297 5.690 ( -0.323 -1.542 -3.287) 3.645 5.741 ( -2.194 -2.853 -1.802) 4.025 5.884 ( 5.901 -4.973 -1.894) 7.946 6.500 ( -7.028 5.531 2.938) 9.413 6.650 ( 2.255 3.379 1.726) 4.414 7.055 ( -6.519 -0.452 -2.170) 6.885 7.114 ( -2.796 -5.009 -3.882) 6.927 7.252 ( -0.872 -4.027 -0.171) 4.124 7.571 ( -4.333 -3.817 -1.599) 5.991 7.744 ( 1.051 0.413 3.606) 3.779 7.836 ( -2.388 -0.241 -1.298) 2.729 7.925 ( 2.127 -0.625 -0.758) 2.343 8.116 ( 9.840 4.760 5.989) 12.464 8.126 ( 8.131 2.533 1.083) 8.585 9.177 ( -4.327 1.606 0.068) 4.616 9.360 ( -4.929 -0.885 0.205) 5.012 9.462 ( 1.879 2.819 -5.371) 6.350 9.827 ( 1.853 -3.828 -0.765) 4.322 9.895 ( -1.042 -4.764 12.650) 13.558 10.455 ( -12.364 5.505 -4.560) 14.282 10.880 ( -3.196 -4.714 3.378) 6.622 11.273 ( -0.271 -7.407 1.552) 7.573 12.027 ( 1.980 5.388 4.681) 7.407 12.178 ( 0.323 2.176 0.832) 2.352 12.189 ( -12.345 2.873 7.342) 14.648 12.681 ( 5.243 -0.337 -2.116) 5.664 12.732 ( 14.446 0.528 -0.963) 14.488 14.218 ( -0.270 0.700 0.741) 1.054 14.245 ( -0.285 1.870 2.498) 3.134 14.417 ( -11.232 11.729 -15.343) 22.341 15.552 ( -1.491 -0.728 9.499) 9.643 16.118 ( 9.489 -5.309 10.172) 14.889 17.044 ( -1.322 2.466 -4.620) 5.401 17.082 ( 1.868 1.090 -4.087) 4.623 ======================= Grid point 83 (41/164) ======================= q-point: ( 0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 8.084 17.075 8.952) 20.906 1.827 ( 9.261 12.653 16.198) 22.544 2.433 ( 10.123 7.188 13.737) 18.516 2.634 ( 6.340 -6.452 3.072) 9.553 3.025 ( -4.210 3.124 2.053) 5.630 3.514 ( 0.485 -2.691 1.890) 3.324 3.619 ( -1.007 -0.134 -11.674) 11.719 3.769 ( -1.487 -6.683 1.503) 7.010 4.061 ( 2.241 2.688 -2.793) 4.477 4.217 ( 3.499 7.302 2.665) 8.525 4.358 ( 3.712 1.707 1.630) 4.399 4.666 ( 0.350 -6.774 4.546) 8.165 5.049 ( -9.601 0.675 -4.681) 10.702 5.209 ( 1.085 3.729 0.839) 3.974 5.695 ( 2.468 2.241 -4.220) 5.378 5.705 ( -1.650 -2.762 1.219) 3.440 5.947 ( 0.327 -4.171 0.410) 4.204 6.359 ( -5.603 4.648 -0.552) 7.301 6.706 ( 1.909 3.334 1.233) 4.034 6.875 ( -10.522 -1.396 -0.357) 10.620 6.968 ( -8.474 -7.566 -4.986) 12.406 7.279 ( 2.458 -5.742 0.253) 6.251 7.498 ( -2.430 -4.382 -0.362) 5.023 7.770 ( 1.305 0.065 -0.585) 1.432 7.834 ( 4.153 -1.462 -5.845) 7.318 7.991 ( 5.030 -1.117 -0.279) 5.160 8.282 ( 6.592 4.002 3.072) 8.300 8.355 ( 9.095 4.939 6.386) 12.161 9.069 ( -6.991 2.451 1.566) 7.572 9.251 ( -6.005 -2.014 0.304) 6.341 9.493 ( 3.003 2.768 -1.474) 4.342 9.796 ( -5.151 -2.877 -1.426) 6.070 9.881 ( -7.786 -4.366 7.814) 11.863 10.211 ( -7.303 11.530 -4.010) 14.225 10.865 ( -0.922 -7.671 3.376) 8.431 11.283 ( 0.167 -6.433 0.974) 6.509 11.957 ( -8.374 4.308 0.900) 9.460 12.113 ( -1.011 5.444 7.763) 9.535 12.264 ( 4.614 3.001 3.994) 6.801 12.731 ( 1.908 1.816 -5.475) 6.075 13.060 ( 19.796 -0.381 -3.439) 20.096 14.157 ( -4.150 7.419 0.843) 8.543 14.224 ( -0.325 1.633 -2.694) 3.167 14.294 ( -0.804 2.438 -0.281) 2.583 15.560 ( -4.020 -1.286 8.094) 9.128 16.281 ( 2.945 -3.174 5.327) 6.865 16.962 ( -2.094 3.255 -4.904) 6.247 17.122 ( 2.912 -0.171 -2.209) 3.659 ======================= Grid point 84 (42/164) ======================= q-point: ( 0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.470 10.949 8.021) 13.796 2.084 ( 7.756 12.846 10.935) 18.568 2.646 ( 3.838 -0.071 7.197) 8.157 2.776 ( 6.904 -4.000 1.327) 8.088 2.945 ( -4.439 4.427 0.831) 6.323 3.470 ( -5.196 10.254 1.601) 11.607 3.578 ( 2.603 -11.547 -6.029) 13.284 3.794 ( 3.473 1.201 -1.006) 3.810 4.093 ( 3.421 1.101 -3.743) 5.189 4.295 ( 2.604 4.169 3.104) 5.813 4.414 ( 1.761 0.472 -1.908) 2.639 4.690 ( -0.643 -7.290 3.503) 8.113 4.840 ( -8.568 -0.403 -4.771) 9.815 5.228 ( -0.062 6.912 1.045) 6.990 5.606 ( -10.623 3.080 3.072) 11.479 5.728 ( 2.466 -2.887 -0.694) 3.860 5.955 ( 2.531 -1.730 -1.569) 3.444 6.320 ( 0.998 3.375 -1.069) 3.678 6.648 ( -7.583 -0.526 -3.710) 8.458 6.747 ( -7.364 -9.568 1.555) 12.173 6.809 ( 0.849 -0.299 -3.212) 3.336 7.315 ( 1.133 -6.371 -0.227) 6.475 7.461 ( -1.671 -0.135 0.256) 1.696 7.792 ( 2.097 -1.330 0.534) 2.540 7.898 ( 6.436 -1.036 -7.359) 9.831 8.122 ( 8.680 -2.026 0.257) 8.917 8.398 ( 3.426 4.105 1.362) 5.518 8.492 ( 2.399 3.307 -1.642) 4.404 8.971 ( -5.509 2.092 6.324) 8.644 9.150 ( -6.608 -1.882 6.538) 9.484 9.515 ( -5.705 -0.151 5.515) 7.937 9.630 ( -2.902 3.814 -7.261) 8.700 9.785 ( -5.534 -7.684 2.110) 9.702 10.136 ( -0.594 13.712 -0.380) 13.730 10.879 ( -0.144 -8.703 2.673) 9.106 11.285 ( -0.227 -6.458 -0.429) 6.476 11.836 ( -4.944 4.265 1.158) 6.631 12.139 ( -1.762 5.506 6.522) 8.715 12.415 ( 8.110 3.710 4.931) 10.190 12.666 ( -3.516 3.149 -7.598) 8.945 13.399 ( 18.347 1.129 -4.234) 18.863 14.145 ( 0.716 5.143 -2.229) 5.651 14.210 ( 0.258 0.899 3.820) 3.933 14.260 ( -4.242 1.430 3.219) 5.514 15.513 ( -5.195 -1.469 4.120) 6.792 16.328 ( -0.224 -2.263 2.120) 3.109 16.910 ( -0.297 4.070 -3.505) 5.379 17.147 ( 1.516 -0.591 -2.903) 3.328 ======================= Grid point 85 (43/164) ======================= q-point: ( 0.44 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -5.435 6.906 4.149) 9.718 2.239 ( 1.993 12.494 4.783) 13.526 2.662 ( -4.995 -1.266 0.806) 5.216 2.865 ( -0.202 0.253 -1.399) 1.436 2.930 ( 3.379 2.241 4.224) 5.855 3.394 ( -3.747 9.155 0.841) 9.927 3.595 ( 2.292 -8.710 -1.086) 9.072 3.869 ( 5.283 4.410 -3.381) 7.668 4.106 ( -0.815 3.383 -2.101) 4.065 4.332 ( 0.089 -1.878 -4.451) 4.832 4.450 ( 5.213 0.577 0.435) 5.263 4.624 ( -6.614 -8.841 -4.758) 12.022 4.741 ( 0.202 0.489 2.266) 2.327 5.207 ( -1.902 7.658 -1.839) 8.102 5.423 ( -9.121 3.218 3.736) 10.369 5.770 ( 1.592 -2.510 0.680) 3.049 5.994 ( 2.423 -0.521 -3.330) 4.151 6.341 ( 1.347 2.614 -1.045) 3.121 6.522 ( -2.347 -3.770 -2.224) 4.967 6.601 ( -4.659 -6.285 -4.929) 9.247 6.870 ( 3.245 -2.238 3.004) 4.956 7.339 ( 1.900 -3.835 1.129) 4.426 7.436 ( -1.439 0.407 0.748) 1.673 7.863 ( 3.464 -2.023 2.475) 4.714 7.964 ( 4.604 0.376 -3.738) 5.942 8.268 ( 3.772 1.049 -2.135) 4.460 8.394 ( -4.047 3.174 -5.819) 7.766 8.460 ( 3.818 -0.769 -8.688) 9.521 8.943 ( -3.192 -0.466 8.791) 9.364 9.094 ( -8.266 -0.559 15.844) 17.879 9.380 ( -5.190 -1.982 0.502) 5.579 9.657 ( 4.391 4.403 -1.478) 6.391 9.699 ( -3.296 -6.033 -0.818) 6.924 10.151 ( 0.954 12.532 2.421) 12.799 10.887 ( -0.532 -7.977 1.495) 8.133 11.272 ( -0.247 -6.679 -1.676) 6.890 11.783 ( -1.797 4.504 1.255) 5.009 12.135 ( -2.920 5.106 5.426) 8.003 12.510 ( -5.284 3.566 -7.472) 9.821 12.635 ( 9.017 4.355 6.564) 11.974 13.682 ( 14.635 2.408 -4.897) 15.619 14.088 ( -3.654 0.474 -3.459) 5.054 14.171 ( -7.874 0.511 4.648) 9.157 14.312 ( 4.278 3.706 8.276) 10.027 15.430 ( -4.576 -1.247 -0.513) 4.771 16.313 ( -1.641 -2.786 -0.850) 3.344 16.899 ( 1.119 5.108 -2.443) 5.772 17.139 ( 0.219 -0.903 -4.101) 4.206 ======================= Grid point 86 (44/164) ======================= q-point: (-0.44 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -9.497 7.288 0.411) 11.978 2.199 ( -9.316 11.345 2.558) 14.901 2.494 ( -9.315 -1.925 -7.170) 11.912 2.807 ( -5.213 -0.611 0.286) 5.257 3.028 ( 2.895 3.542 3.617) 5.832 3.336 ( -2.244 4.582 -1.253) 5.254 3.670 ( 5.314 -2.261 1.801) 6.049 3.921 ( 2.129 2.534 -3.534) 4.841 4.050 ( -1.738 3.537 -3.594) 5.333 4.272 ( -1.859 -0.260 -4.643) 5.008 4.397 ( -8.163 -2.678 -4.885) 9.883 4.635 ( 4.358 -6.776 0.589) 8.077 4.800 ( 5.512 2.202 3.825) 7.061 5.158 ( -0.685 5.136 -4.244) 6.697 5.350 ( 0.666 3.885 0.940) 4.052 5.783 ( -0.204 1.748 -1.306) 2.191 6.006 ( 1.120 -4.144 -0.315) 4.305 6.341 ( 0.511 2.348 -4.235) 4.869 6.512 ( -1.546 -1.918 -3.501) 4.281 6.542 ( 4.556 -5.099 -0.847) 6.890 6.964 ( 3.987 -4.443 4.738) 7.622 7.399 ( 1.683 -0.719 -1.806) 2.571 7.421 ( -0.002 -3.692 5.216) 6.390 7.916 ( 0.211 0.721 0.386) 0.844 7.987 ( -2.054 0.996 -3.666) 4.318 8.180 ( -7.722 5.032 -9.734) 13.405 8.247 ( -0.763 3.805 -2.677) 4.715 8.589 ( 9.056 -6.665 -1.361) 11.326 8.955 ( -1.581 -1.850 6.817) 7.239 9.049 ( -6.132 -1.436 13.426) 14.829 9.346 ( -0.100 -1.780 0.383) 1.824 9.630 ( -1.069 -6.377 -2.776) 7.036 9.767 ( 5.010 6.166 2.340) 8.283 10.192 ( 1.327 9.456 3.320) 10.110 10.884 ( -0.489 -5.594 1.108) 5.724 11.256 ( -0.034 -6.604 -2.345) 7.008 11.778 ( 0.345 5.493 0.875) 5.573 12.106 ( -3.480 4.731 4.085) 7.154 12.359 ( -5.278 2.014 -5.179) 7.664 12.853 ( 7.678 4.736 7.943) 12.020 13.868 ( 6.772 2.438 -6.068) 9.414 13.986 ( -4.336 0.403 1.199) 4.517 14.034 ( -8.820 -0.839 3.552) 9.545 14.455 ( 4.185 4.262 9.798) 11.475 15.348 ( -2.214 -0.949 -3.572) 4.308 16.252 ( -2.982 -3.996 -4.729) 6.872 16.916 ( 2.279 6.059 -2.063) 6.794 17.106 ( -0.416 -0.975 -4.606) 4.726 ======================= Grid point 87 (45/164) ======================= q-point: (-0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -10.832 10.862 0.118) 15.341 1.906 ( -20.974 9.793 -2.721) 23.306 2.277 ( -7.723 1.424 -5.972) 9.865 2.673 ( -8.576 -3.637 -0.559) 9.333 3.077 ( -0.074 4.865 3.001) 5.716 3.301 ( 0.359 0.858 -3.069) 3.207 3.773 ( 3.080 0.391 0.009) 3.104 3.897 ( -2.346 -1.004 -0.428) 2.588 4.031 ( 2.657 5.186 -6.271) 8.561 4.194 ( -3.665 1.661 -4.184) 5.805 4.265 ( -0.789 -0.015 -1.941) 2.095 4.619 ( -4.572 -8.233 1.862) 9.600 4.995 ( 9.573 2.887 3.014) 10.443 5.114 ( -0.192 2.706 -4.093) 4.910 5.476 ( 10.666 2.819 -1.342) 11.114 5.760 ( 0.245 5.960 -1.621) 6.182 6.058 ( 2.538 -5.108 4.706) 7.395 6.309 ( 0.453 1.767 -7.039) 7.271 6.464 ( -1.640 -1.809 -2.412) 3.432 6.668 ( 9.081 -4.101 -2.030) 10.168 7.080 ( 4.537 -5.458 5.107) 8.744 7.372 ( -1.652 -3.647 -0.709) 4.067 7.487 ( 1.252 -0.797 3.570) 3.866 7.783 ( -8.922 2.730 -7.608) 12.039 7.941 ( -0.323 2.494 -6.294) 6.778 7.965 ( -5.280 4.703 -6.724) 9.757 8.302 ( -0.091 1.800 9.511) 9.681 8.680 ( -3.816 -6.228 8.371) 11.109 8.980 ( 2.381 -2.687 1.032) 3.736 9.082 ( 3.854 -1.546 3.299) 5.303 9.356 ( 0.530 -1.933 1.291) 2.384 9.621 ( 2.222 -5.643 -3.249) 6.880 9.849 ( 1.070 4.797 1.662) 5.188 10.263 ( 4.428 6.405 4.013) 8.760 10.892 ( 0.315 -2.369 1.859) 3.028 11.239 ( -0.034 -5.928 -2.254) 6.343 11.803 ( 2.062 6.723 -0.335) 7.040 12.061 ( -3.425 4.661 2.687) 6.378 12.256 ( -3.191 -0.188 -1.100) 3.381 12.991 ( 0.154 3.129 7.346) 7.986 13.736 ( -15.879 -1.930 6.427) 17.239 13.939 ( -0.248 -0.352 -1.886) 1.935 14.045 ( 5.907 2.287 -2.754) 6.907 14.612 ( 5.024 6.022 12.465) 14.727 15.311 ( 0.915 -0.674 -3.315) 3.504 16.121 ( -6.051 -5.312 -10.273) 13.053 16.954 ( 3.414 6.420 -3.373) 8.016 17.073 ( 0.067 -0.127 -2.818) 2.822 ======================= Grid point 88 (46/164) ======================= q-point: (-0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -13.018 14.966 0.073) 19.836 1.458 ( -19.043 13.600 -3.241) 23.625 2.126 ( -6.888 9.421 1.779) 11.805 2.499 ( -8.745 -5.906 -0.228) 10.555 3.072 ( -2.105 5.212 2.244) 6.053 3.313 ( 3.539 -2.285 -4.083) 5.867 3.771 ( -3.180 -2.349 2.070) 4.463 3.861 ( 0.594 -1.326 -3.976) 4.233 3.981 ( -1.424 3.423 -8.150) 8.954 4.160 ( -0.238 0.567 -0.763) 0.980 4.313 ( 5.052 7.492 1.494) 9.159 4.544 ( -3.532 -8.911 0.769) 9.616 5.070 ( 2.045 -1.342 -5.633) 6.141 5.210 ( 8.037 3.650 2.996) 9.322 5.595 ( 2.671 0.783 -3.361) 4.364 5.848 ( 6.300 5.565 6.152) 10.416 6.106 ( -0.990 -1.629 -1.974) 2.744 6.295 ( 2.330 -1.097 -1.767) 3.123 6.428 ( 1.384 -1.743 -3.023) 3.754 6.846 ( 11.666 -2.442 -3.931) 12.551 7.193 ( 3.848 -5.554 3.234) 7.491 7.346 ( -0.210 -4.079 0.370) 4.101 7.484 ( -3.016 5.868 -0.892) 6.658 7.594 ( -4.408 3.820 -5.853) 8.263 7.852 ( -0.662 1.461 -1.992) 2.557 7.929 ( 0.523 -0.513 -5.891) 5.936 8.293 ( -8.357 1.781 9.492) 12.771 8.562 ( -14.708 -2.432 11.992) 19.133 9.075 ( 6.839 -3.096 -0.938) 7.565 9.205 ( 7.816 -3.110 -2.360) 8.737 9.398 ( 2.020 -2.287 5.577) 6.357 9.656 ( 3.384 -4.650 -3.683) 6.829 9.820 ( -3.625 1.759 -0.715) 4.092 10.424 ( 8.945 4.615 4.036) 10.844 10.919 ( 0.618 -0.422 2.797) 2.895 11.227 ( 0.248 -5.095 -1.302) 5.265 11.843 ( 2.244 6.973 -1.439) 7.465 12.037 ( -0.082 4.421 2.554) 5.106 12.215 ( -1.712 -1.202 1.783) 2.748 12.940 ( -8.854 0.581 3.931) 9.705 13.426 ( -22.625 -5.791 10.498) 25.605 14.003 ( 7.451 0.850 -2.696) 7.969 14.119 ( 3.792 1.972 -2.094) 4.760 14.852 ( 10.791 7.296 17.124) 21.516 15.336 ( 2.844 -0.372 -0.132) 2.872 15.862 ( -12.015 -5.252 -17.168) 21.603 16.983 ( 2.841 3.876 -5.756) 7.498 17.089 ( 2.742 3.404 -0.086) 4.372 ======================= Grid point 89 (47/164) ======================= q-point: (-0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -9.501 19.282 2.620) 21.655 1.300 ( -4.961 21.364 7.761) 23.265 2.036 ( -5.991 19.974 7.688) 22.226 2.373 ( -4.647 -9.025 2.868) 10.549 3.047 ( -1.824 5.082 2.866) 6.113 3.374 ( 5.650 -5.062 -4.376) 8.758 3.706 ( -4.254 -5.552 1.198) 7.096 3.868 ( 2.289 -1.210 -1.680) 3.087 3.940 ( 2.749 5.207 -6.938) 9.100 4.123 ( -4.465 -3.125 3.091) 6.265 4.404 ( 3.475 11.772 -2.809) 12.592 4.514 ( -0.171 -8.454 1.138) 8.532 5.085 ( 3.587 -2.422 -5.535) 7.026 5.355 ( 4.547 4.737 1.684) 6.779 5.615 ( 3.371 -1.623 -2.599) 4.555 5.926 ( -4.670 -4.456 5.980) 8.799 5.996 ( -4.921 -1.644 -8.213) 9.714 6.356 ( 5.858 3.222 -1.203) 6.792 6.523 ( 6.256 0.625 3.741) 7.316 7.025 ( 9.345 -1.160 -5.532) 10.921 7.238 ( -0.384 -6.031 0.069) 6.044 7.382 ( -0.546 -2.276 -5.438) 5.921 7.432 ( 4.589 5.064 4.075) 7.957 7.553 ( 1.644 7.931 -0.026) 8.100 7.879 ( 3.070 -0.649 0.828) 3.245 7.891 ( -0.045 -2.902 -5.587) 6.296 8.137 ( -11.884 1.946 5.047) 13.057 8.321 ( -17.752 0.442 9.265) 20.030 9.185 ( 4.663 -2.292 -1.231) 5.339 9.323 ( 5.562 -3.424 -1.309) 6.662 9.513 ( 3.285 -2.559 12.024) 12.725 9.655 ( -2.026 0.642 -3.051) 3.718 9.772 ( 1.678 -4.505 -2.450) 5.396 10.605 ( 6.714 2.814 0.949) 7.342 10.942 ( -0.736 -0.485 3.344) 3.458 11.241 ( 1.705 -6.208 0.033) 6.438 11.860 ( 0.568 5.903 0.791) 5.983 12.114 ( 5.754 3.921 1.795) 7.190 12.210 ( 0.135 -0.597 1.940) 2.034 12.769 ( -9.263 -0.697 1.108) 9.355 13.038 ( -25.821 -6.207 11.395) 28.898 14.125 ( 6.236 1.061 -2.450) 6.783 14.167 ( 2.534 1.572 -0.571) 3.036 15.262 ( 16.997 2.864 17.028) 24.229 15.387 ( -3.911 0.288 -4.248) 5.781 15.451 ( -10.665 -0.987 -11.299) 15.569 16.996 ( 2.565 2.216 -4.507) 5.639 17.144 ( 3.074 4.453 -2.729) 6.060 ======================= Grid point 90 (48/164) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 7.165 13.628 12.079) 19.569 1.751 ( 1.545 12.828 11.316) 17.176 2.122 ( 2.557 -10.665 7.468) 13.269 2.362 ( 4.551 6.054 -6.262) 9.827 3.147 ( -1.240 4.569 2.839) 5.521 3.301 ( 2.603 -5.906 -2.617) 6.965 3.529 ( -6.875 -2.979 7.117) 10.334 3.923 ( 4.358 0.184 1.865) 4.744 3.968 ( -5.303 -0.815 4.139) 6.776 4.118 ( 5.130 3.415 -3.037) 6.870 4.417 ( 1.902 -3.325 5.800) 6.951 4.592 ( -2.716 5.037 -4.812) 7.476 5.091 ( 5.558 -0.852 -4.162) 6.995 5.460 ( -5.729 1.533 -1.710) 6.172 5.575 ( 4.093 -4.481 -1.961) 6.378 5.734 ( -0.612 -0.817 1.093) 1.495 5.812 ( -5.555 -1.954 -5.480) 8.044 6.546 ( 5.940 1.712 2.828) 6.798 6.695 ( 2.598 2.082 1.050) 3.491 7.103 ( 3.666 0.372 -6.516) 7.486 7.138 ( -2.679 0.908 -3.825) 4.757 7.221 ( -1.271 -5.300 -4.336) 6.965 7.638 ( -1.996 1.617 1.052) 2.776 7.713 ( 2.244 0.446 -1.904) 2.976 7.826 ( 3.984 0.556 2.376) 4.672 7.969 ( 3.429 -0.450 1.744) 3.874 8.039 ( -0.150 0.518 1.303) 1.411 8.073 ( -13.673 1.418 8.160) 15.985 9.231 ( 2.004 0.394 -4.510) 4.950 9.360 ( 2.685 -0.334 3.004) 4.043 9.593 ( -3.658 2.598 -3.444) 5.656 9.664 ( 4.766 -1.565 13.003) 13.937 9.684 ( 2.697 -4.759 -2.621) 6.065 10.700 ( -3.630 2.252 0.055) 4.272 10.902 ( -3.431 -0.618 0.613) 3.539 11.128 ( 0.807 -4.046 -0.420) 4.147 11.999 ( 3.482 2.083 5.568) 6.889 12.234 ( 0.253 2.703 0.985) 2.888 12.278 ( 2.056 -1.417 0.456) 2.538 12.609 ( -2.275 -1.114 0.515) 2.585 12.706 ( -9.407 1.052 4.142) 10.332 14.216 ( 2.388 0.603 -0.754) 2.576 14.232 ( 1.873 0.488 1.004) 2.180 14.972 ( -16.415 2.346 -18.763) 25.040 15.488 ( 0.893 -0.191 8.047) 8.098 15.719 ( 15.187 -0.828 14.756) 21.191 17.044 ( 2.386 0.519 -1.913) 3.102 17.187 ( -1.272 1.077 -5.666) 5.906 ======================= Grid point 91 (49/164) ======================= q-point: ( 0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 9.380 10.615 12.530) 18.912 1.894 ( 4.612 13.855 14.538) 20.606 2.213 ( 2.261 -10.844 9.142) 14.362 2.476 ( 9.593 5.533 -2.494) 11.351 3.143 ( -1.537 4.348 3.127) 5.572 3.323 ( 1.703 -7.335 -2.884) 8.064 3.500 ( 0.692 -4.790 2.408) 5.406 3.858 ( -6.457 0.935 0.743) 6.567 4.062 ( 5.398 0.748 4.842) 7.290 4.209 ( 4.998 2.973 0.757) 5.864 4.473 ( -4.407 4.056 -4.811) 7.682 4.515 ( 2.298 -1.891 7.944) 8.484 5.175 ( 4.382 0.468 -0.555) 4.442 5.274 ( -9.321 -0.786 -3.887) 10.130 5.651 ( 4.525 -1.018 -3.200) 5.635 5.690 ( -2.379 -2.186 -6.198) 6.990 5.802 ( 4.726 -1.802 2.344) 5.575 6.620 ( -5.978 5.002 2.855) 8.301 6.689 ( 1.215 -0.388 2.831) 3.105 6.985 ( -6.463 -2.900 -7.885) 10.600 7.100 ( -3.679 1.409 -2.171) 4.499 7.180 ( -0.178 -2.888 -3.927) 4.878 7.512 ( -6.472 -1.489 -1.292) 6.766 7.763 ( -2.744 1.054 -1.187) 3.170 7.835 ( 1.781 0.042 -3.663) 4.073 7.891 ( -0.188 -1.771 3.216) 3.676 8.167 ( 9.837 1.325 0.340) 9.932 8.207 ( 9.431 2.603 9.649) 13.741 9.195 ( -2.759 0.088 -2.683) 3.849 9.367 ( -5.868 1.196 2.806) 6.613 9.508 ( 1.088 1.165 -5.069) 5.314 9.711 ( 0.947 -4.340 -1.360) 4.646 9.843 ( 1.279 -1.062 15.574) 15.662 10.550 ( -10.040 2.768 -1.190) 10.482 10.817 ( -4.405 -1.446 -1.999) 5.048 11.149 ( 1.356 -3.471 0.219) 3.733 12.117 ( 2.558 2.296 5.077) 6.131 12.203 ( -6.691 0.789 3.863) 7.766 12.249 ( -1.304 1.616 2.790) 3.478 12.671 ( 6.442 -0.345 -1.352) 6.591 12.743 ( 11.821 0.282 -1.099) 11.875 14.230 ( -0.866 0.335 0.948) 1.327 14.273 ( 0.920 0.692 2.611) 2.854 14.582 ( -11.388 3.804 -15.513) 19.616 15.540 ( -1.921 -0.345 9.371) 9.572 16.050 ( 9.848 -1.420 11.094) 14.902 17.080 ( 2.098 0.872 -2.092) 3.088 17.102 ( -2.134 0.603 -6.149) 6.536 ======================= Grid point 92 (50/164) ======================= q-point: ( 0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 2.049 6.345 12.574) 14.233 2.117 ( 8.936 13.749 9.499) 18.950 2.378 ( 7.357 -9.417 10.930) 16.194 2.632 ( 7.314 2.454 -1.204) 7.808 3.126 ( -1.859 6.144 0.917) 6.484 3.327 ( 1.001 -9.647 -3.337) 10.257 3.589 ( 7.939 -3.367 -1.141) 8.699 3.733 ( -5.896 1.898 -1.148) 6.300 4.158 ( 1.224 4.391 2.927) 5.418 4.303 ( 2.600 -0.276 3.983) 4.765 4.395 ( -1.046 1.433 -0.515) 1.847 4.602 ( 0.822 0.513 7.202) 7.267 5.053 ( -9.635 0.049 -4.877) 10.799 5.264 ( 3.188 1.165 2.869) 4.445 5.632 ( 0.848 -2.602 -5.144) 5.827 5.726 ( 4.740 0.255 -4.678) 6.664 5.878 ( 0.016 -1.703 4.252) 4.580 6.457 ( -8.436 3.961 0.713) 9.346 6.710 ( -5.368 -3.097 4.638) 7.741 6.832 ( -0.832 -0.486 -9.423) 9.472 6.906 ( -14.244 0.006 0.143) 14.245 7.180 ( 2.285 -2.820 -3.617) 5.124 7.432 ( -1.375 -1.633 -0.113) 2.138 7.748 ( 6.419 -1.121 -7.290) 9.778 7.846 ( -1.488 1.412 -2.146) 2.969 7.957 ( 6.980 -1.558 -2.014) 7.430 8.349 ( 7.899 1.925 1.980) 8.368 8.440 ( 7.338 2.437 8.752) 11.678 9.104 ( -5.715 0.587 0.106) 5.746 9.228 ( -8.458 -0.023 2.326) 8.772 9.536 ( 1.862 1.206 0.470) 2.268 9.692 ( -2.658 -4.203 0.748) 5.029 9.853 ( -8.552 0.127 5.620) 10.234 10.397 ( -4.604 5.198 1.740) 7.159 10.734 ( -2.090 -3.994 -2.970) 5.398 11.172 ( 0.769 -3.098 -0.074) 3.193 12.040 ( -7.154 2.407 0.140) 7.550 12.207 ( -0.763 2.816 8.127) 8.635 12.304 ( 4.289 0.689 4.016) 5.916 12.750 ( 2.922 0.320 -4.489) 5.366 13.055 ( 20.189 -0.058 -2.168) 20.305 14.212 ( -1.693 0.444 3.247) 3.689 14.289 ( -1.677 1.766 2.533) 3.514 14.352 ( -3.752 2.420 -9.864) 10.827 15.539 ( -4.248 -0.564 7.740) 8.847 16.236 ( 3.607 -1.055 6.828) 7.794 17.013 ( -1.558 1.334 -5.251) 5.638 17.122 ( 2.407 0.087 -2.005) 3.134 ======================= Grid point 93 (51/164) ======================= q-point: ( 0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -2.785 3.993 10.135) 11.244 2.344 ( 8.880 10.610 4.598) 14.580 2.577 ( 5.405 -5.834 7.482) 10.919 2.735 ( 5.361 -0.588 -1.370) 5.565 3.086 ( -1.691 8.724 -1.508) 9.013 3.316 ( 0.582 -11.975 -4.354) 12.756 3.635 ( -2.407 4.459 0.645) 5.108 3.778 ( 10.348 -1.610 -0.801) 10.503 4.165 ( -0.850 5.086 1.131) 5.280 4.331 ( -2.232 -2.182 3.238) 4.497 4.401 ( -0.010 -1.573 0.833) 1.780 4.633 ( -1.224 1.664 0.943) 2.271 4.856 ( -7.469 1.004 -1.567) 7.697 5.336 ( 1.475 2.617 3.948) 4.961 5.640 ( 1.174 -1.988 -1.387) 2.694 5.661 ( -8.143 0.266 -2.106) 8.416 5.927 ( 4.238 -0.873 0.358) 4.341 6.378 ( -0.615 2.223 -0.452) 2.350 6.570 ( -8.104 -5.452 -1.886) 9.948 6.639 ( -11.233 -0.675 -0.536) 11.266 6.828 ( 2.194 1.223 -2.647) 3.650 7.207 ( 2.332 -3.139 -0.970) 4.028 7.443 ( 1.547 -0.834 0.199) 1.769 7.785 ( -0.672 0.249 -3.885) 3.950 7.870 ( 10.374 -1.074 -9.113) 13.850 8.096 ( 8.775 -0.512 -1.357) 8.895 8.473 ( 3.652 2.201 0.374) 4.280 8.555 ( 0.315 1.965 0.787) 2.140 8.993 ( -6.651 0.287 3.105) 7.346 9.126 ( -6.591 -0.405 11.430) 13.201 9.513 ( -10.084 0.449 7.231) 12.417 9.636 ( -4.336 -4.850 1.857) 6.766 9.709 ( 0.379 2.263 -8.205) 8.520 10.374 ( -1.167 7.739 3.284) 8.487 10.705 ( 0.477 -6.570 -1.401) 6.735 11.173 ( -0.125 -3.016 -1.150) 3.230 11.930 ( -4.410 2.997 0.607) 5.366 12.228 ( -2.395 2.373 6.991) 7.762 12.462 ( 8.573 0.881 5.501) 10.224 12.707 ( -2.945 0.841 -7.022) 7.660 13.420 ( 19.255 0.621 -2.796) 19.466 14.197 ( -1.835 0.468 -5.587) 5.899 14.258 ( -2.161 2.105 5.054) 5.886 14.286 ( -1.170 0.894 2.850) 3.208 15.489 ( -5.044 -0.636 3.865) 6.387 16.295 ( -0.356 -0.764 2.820) 2.943 16.973 ( 0.253 1.605 -2.903) 3.327 17.140 ( 1.239 -0.153 -3.317) 3.544 ======================= Grid point 94 (52/164) ======================= q-point: ( 0.44 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -6.494 2.959 4.798) 8.600 2.450 ( 0.819 6.917 -2.875) 7.535 2.631 ( -3.233 -2.135 1.369) 4.109 2.835 ( 3.367 -1.239 -0.134) 3.590 3.069 ( 1.589 9.193 -0.076) 9.330 3.297 ( 0.833 -11.555 -4.063) 12.277 3.641 ( 1.452 5.684 3.997) 7.099 3.909 ( 1.346 0.039 0.721) 1.527 4.162 ( -0.907 2.088 0.314) 2.298 4.317 ( 2.322 0.356 -3.289) 4.041 4.393 ( 0.629 -5.578 0.541) 5.639 4.541 ( -4.971 0.847 -6.756) 8.430 4.801 ( -1.526 3.042 7.456) 8.196 5.345 ( -2.726 4.143 0.439) 4.979 5.465 ( -8.453 0.547 1.168) 8.551 5.693 ( 3.706 -2.748 -0.531) 4.644 5.981 ( 1.799 -0.642 -4.134) 4.554 6.380 ( 0.445 1.357 -1.201) 1.866 6.431 ( -3.323 -3.809 -0.758) 5.111 6.506 ( -3.375 -2.263 -1.346) 4.280 6.864 ( 2.675 0.659 -0.164) 2.760 7.264 ( 3.026 -2.289 3.356) 5.066 7.443 ( -1.114 0.087 -3.205) 3.395 7.811 ( 4.994 -1.483 -0.042) 5.210 7.985 ( 7.190 0.504 -8.053) 10.808 8.263 ( 9.051 -0.557 -0.699) 9.095 8.461 ( -3.473 2.467 -6.087) 7.429 8.479 ( -3.943 0.962 -7.505) 8.532 8.922 ( -3.774 -0.830 6.494) 7.556 9.099 ( -10.310 0.395 20.714) 23.141 9.345 ( -5.555 -0.957 -0.322) 5.646 9.563 ( -3.349 -3.983 -0.297) 5.212 9.761 ( 6.218 2.878 -2.068) 7.158 10.368 ( -1.779 6.935 2.276) 7.513 10.726 ( 1.982 -6.017 0.572) 6.361 11.156 ( -0.314 -3.123 -2.448) 3.981 11.885 ( -1.191 3.289 1.341) 3.746 12.215 ( -3.436 2.097 5.788) 7.050 12.553 ( -5.659 0.776 -7.246) 9.227 12.696 ( 9.244 1.378 7.094) 11.734 13.725 ( 15.079 1.249 -3.685) 15.573 14.099 ( -3.087 0.346 -7.802) 8.397 14.173 ( -9.214 -0.098 6.328) 11.178 14.381 ( 4.210 2.065 8.150) 9.403 15.410 ( -4.311 -0.539 -0.513) 4.375 16.275 ( -2.250 -0.874 -1.035) 2.627 16.978 ( 1.447 2.017 -1.003) 2.677 17.124 ( 0.157 -0.448 -4.957) 4.979 ======================= Grid point 95 (53/164) ======================= q-point: (-0.44 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -6.917 3.823 0.506) 7.919 2.351 ( -7.692 3.049 -5.172) 9.758 2.480 ( -10.822 0.362 -5.207) 12.015 2.782 ( -6.609 -1.288 -2.883) 7.325 3.138 ( 3.403 6.385 0.690) 7.268 3.296 ( 0.817 -6.286 -1.756) 6.578 3.732 ( 3.955 6.043 4.437) 8.476 3.878 ( -1.762 -4.766 -1.142) 5.208 4.132 ( -0.735 3.143 -1.501) 3.560 4.294 ( -1.718 0.562 -1.523) 2.364 4.375 ( -4.649 0.414 -8.048) 9.304 4.509 ( 1.695 -3.894 4.676) 6.317 4.880 ( 5.545 3.353 7.360) 9.806 5.259 ( -4.541 3.190 -3.651) 6.643 5.398 ( 2.775 0.797 -2.358) 3.728 5.779 ( 4.536 -1.716 3.097) 5.754 5.942 ( -1.858 -0.681 -4.498) 4.914 6.377 ( 0.084 1.132 -2.476) 2.724 6.430 ( 1.621 -4.085 -1.317) 4.588 6.471 ( 1.775 -1.673 -0.988) 2.632 6.930 ( 3.764 0.221 1.864) 4.206 7.354 ( 0.915 -2.002 4.830) 5.308 7.384 ( 0.253 -0.464 -3.563) 3.602 7.903 ( 0.925 -0.621 2.476) 2.715 8.019 ( 1.827 1.003 -7.203) 7.499 8.273 ( -8.280 2.754 -9.389) 12.818 8.342 ( 0.723 4.450 -6.322) 7.765 8.459 ( 6.097 -5.180 0.194) 8.003 8.922 ( -1.514 -0.913 5.878) 6.138 9.031 ( -7.426 -0.370 15.449) 17.145 9.316 ( 0.601 -0.802 -0.379) 1.072 9.514 ( -0.742 -3.443 -1.784) 3.948 9.877 ( 5.119 3.232 2.221) 6.448 10.338 ( -1.999 3.776 0.977) 4.383 10.785 ( 2.946 -3.102 2.462) 4.936 11.132 ( 0.019 -3.489 -3.468) 4.919 11.898 ( 1.283 3.846 1.821) 4.445 12.181 ( -3.728 1.953 4.333) 6.041 12.385 ( -6.415 0.467 -6.151) 8.900 12.913 ( 6.714 1.197 8.737) 11.084 13.923 ( 5.456 2.227 -5.078) 7.779 13.992 ( -1.412 -0.098 -3.982) 4.226 14.010 ( -10.694 -1.045 5.180) 11.929 14.529 ( 4.802 2.083 9.971) 11.262 15.333 ( -2.044 -0.404 -3.358) 3.952 16.197 ( -3.772 -1.252 -5.319) 6.639 17.011 ( 2.380 2.613 -0.176) 3.539 17.086 ( -0.110 -0.812 -5.590) 5.650 ======================= Grid point 96 (54/164) ======================= q-point: (-0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -5.675 6.444 -0.600) 8.608 2.087 ( -16.625 7.427 -5.803) 19.111 2.224 ( -9.025 -5.358 -7.086) 12.664 2.607 ( -7.900 -2.379 -4.780) 9.535 3.178 ( 0.904 3.956 -0.071) 4.058 3.287 ( -0.983 -1.846 -0.843) 2.255 3.783 ( 0.210 0.418 -1.016) 1.118 3.870 ( 0.151 -0.970 -1.025) 1.420 4.121 ( -1.045 4.046 -0.908) 4.277 4.231 ( -5.753 -0.024 -2.252) 6.178 4.302 ( 4.101 1.749 2.351) 5.040 4.488 ( -4.717 -3.311 2.367) 6.230 5.065 ( 6.755 3.200 3.735) 8.356 5.149 ( -2.355 -0.123 -4.434) 5.022 5.536 ( 11.236 2.564 -3.779) 12.129 5.875 ( 1.677 3.736 0.921) 4.197 5.924 ( 2.826 -5.218 6.645) 8.909 6.328 ( -2.681 -0.029 -3.888) 4.723 6.410 ( 0.656 -2.322 -7.012) 7.415 6.594 ( 10.170 -2.171 -1.673) 10.533 7.027 ( 4.640 -0.239 2.841) 5.446 7.300 ( -1.978 -2.305 -3.776) 4.847 7.472 ( 3.190 -0.423 6.221) 7.004 7.834 ( -6.245 1.690 -2.797) 7.049 7.961 ( -2.818 -0.023 -7.870) 8.360 8.054 ( -7.192 2.658 -6.201) 9.861 8.374 ( 2.633 3.923 -0.157) 4.728 8.549 ( -1.640 -5.188 9.806) 11.215 8.941 ( 2.170 -0.934 0.346) 2.388 9.059 ( 2.206 -0.556 5.689) 6.127 9.327 ( 0.828 -0.660 -0.257) 1.089 9.518 ( 2.246 -3.115 -1.715) 4.206 9.936 ( -1.010 2.573 0.749) 2.863 10.353 ( 3.391 2.085 2.991) 4.979 10.859 ( 2.528 -0.798 3.122) 4.095 11.113 ( 0.683 -3.926 -3.673) 5.420 11.945 ( 2.190 4.510 1.077) 5.128 12.140 ( -3.068 2.328 3.083) 4.933 12.248 ( -4.256 -0.696 -3.228) 5.387 13.023 ( -2.047 0.423 7.558) 7.842 13.709 ( -20.218 -0.627 8.829) 22.071 13.941 ( 3.492 0.228 -7.424) 8.207 14.080 ( 5.928 0.901 -2.668) 6.563 14.706 ( 6.312 2.402 12.219) 13.961 15.300 ( 1.032 -0.281 -2.960) 3.148 16.049 ( -6.615 -1.614 -10.401) 12.431 17.034 ( 0.926 1.206 -5.495) 5.701 17.083 ( 2.950 0.932 0.511) 3.136 ======================= Grid point 97 (55/164) ======================= q-point: (-0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -8.716 11.785 -3.193) 15.002 1.731 ( -11.408 9.552 -1.262) 14.933 2.070 ( -3.765 -9.311 -2.683) 10.396 2.450 ( -4.757 -1.109 -4.708) 6.784 3.180 ( -0.602 4.399 -0.358) 4.455 3.261 ( -0.291 -2.699 -1.359) 3.036 3.748 ( -5.410 0.108 4.406) 6.978 3.848 ( 0.142 -0.161 -3.881) 3.887 4.052 ( -2.739 3.956 -2.726) 5.530 4.145 ( -4.147 -2.451 2.078) 5.246 4.415 ( -3.224 -2.717 -0.015) 4.216 4.464 ( 8.464 4.243 3.379) 10.053 5.054 ( 0.054 -0.072 -6.875) 6.876 5.244 ( 6.830 -0.037 2.778) 7.374 5.638 ( 1.863 2.163 -2.970) 4.120 5.930 ( -1.643 2.602 6.851) 7.510 6.017 ( -1.806 -4.848 5.942) 7.879 6.302 ( 7.751 1.257 -6.003) 9.884 6.390 ( 4.048 -1.692 -8.335) 9.419 6.801 ( 13.103 -1.427 -3.969) 13.765 7.133 ( 4.307 -0.225 1.836) 4.687 7.252 ( -0.257 -3.648 -3.423) 5.009 7.569 ( 2.505 1.664 6.159) 6.854 7.696 ( -4.572 5.729 -4.959) 8.849 7.828 ( -3.837 -4.150 -5.309) 7.754 7.943 ( -2.673 1.683 -3.317) 4.581 8.346 ( -7.120 2.195 2.252) 7.783 8.510 ( -11.340 -1.918 15.152) 19.023 9.037 ( 8.831 -0.750 -4.165) 9.793 9.157 ( 5.639 -1.193 -0.395) 5.778 9.364 ( 2.864 -0.856 2.751) 4.062 9.563 ( 3.563 -2.866 -2.045) 5.009 9.863 ( -5.310 1.416 -1.416) 5.675 10.497 ( 7.890 2.077 4.592) 9.362 10.913 ( 0.997 -0.200 2.542) 2.737 11.111 ( 1.274 -3.824 -2.560) 4.775 11.972 ( -0.166 3.636 -0.162) 3.644 12.125 ( 0.429 3.777 1.670) 4.152 12.191 ( -0.687 -1.774 0.357) 1.935 12.935 ( -10.251 -0.464 3.569) 10.865 13.349 ( -23.704 -1.658 9.443) 25.569 14.023 ( 8.256 0.652 -4.401) 9.379 14.150 ( 3.472 0.803 -2.166) 4.170 14.953 ( 10.546 2.344 14.889) 18.395 15.331 ( 2.986 -0.145 0.299) 3.004 15.794 ( -11.186 -1.441 -15.498) 19.168 17.016 ( 1.230 0.413 -4.565) 4.746 17.156 ( 3.872 1.862 0.087) 4.297 ======================= Grid point 98 (56/164) ======================= q-point: (-0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -5.775 14.380 2.122) 15.641 1.685 ( -1.154 12.072 6.536) 13.776 2.044 ( 1.134 -10.192 1.986) 10.445 2.369 ( -0.510 2.133 -5.086) 5.539 3.158 ( -1.405 4.923 0.891) 5.196 3.269 ( 2.106 -4.447 -2.018) 5.318 3.641 ( -9.972 -0.406 8.973) 13.421 3.849 ( 2.378 -0.470 -1.342) 2.771 4.024 ( 0.091 3.022 -1.666) 3.452 4.086 ( -2.191 -1.539 0.656) 2.757 4.380 ( -0.839 -3.161 1.888) 3.776 4.602 ( 3.957 5.269 -0.366) 6.599 5.040 ( 3.499 -1.309 -6.831) 7.786 5.392 ( 7.099 -0.447 1.702) 7.314 5.618 ( -1.691 0.904 -2.454) 3.114 5.828 ( -9.095 -2.808 1.620) 9.655 5.949 ( -5.825 -2.002 -0.700) 6.199 6.422 ( 6.408 2.005 -2.126) 7.043 6.544 ( 12.116 0.849 -0.681) 12.165 7.004 ( 10.739 -0.534 -5.446) 12.052 7.175 ( 0.481 0.557 -2.672) 2.772 7.259 ( 1.513 -5.985 -2.265) 6.576 7.599 ( -0.012 8.053 -0.410) 8.063 7.683 ( 3.707 3.087 2.657) 5.508 7.771 ( 0.015 -6.409 -2.396) 6.842 7.902 ( 0.483 0.982 -0.510) 1.208 8.169 ( -11.167 0.695 1.290) 11.263 8.332 ( -16.902 0.446 11.895) 20.672 9.171 ( 7.477 0.269 -4.740) 8.857 9.265 ( 5.065 -1.651 2.008) 5.693 9.477 ( 5.260 -0.963 7.229) 8.992 9.615 ( 3.685 -2.467 -3.245) 5.495 9.745 ( -5.515 0.544 -2.091) 5.923 10.664 ( 5.662 2.124 2.903) 6.708 10.931 ( -0.768 -0.562 1.952) 2.172 11.120 ( 0.859 -3.681 -1.215) 3.970 11.955 ( -1.045 2.420 1.747) 3.162 12.181 ( 4.266 2.068 0.388) 4.757 12.214 ( 1.963 0.235 1.291) 2.362 12.740 ( -10.520 -1.246 0.973) 10.638 12.975 ( -21.325 -0.890 8.248) 22.882 14.145 ( 6.247 0.615 -2.258) 6.671 14.192 ( 2.271 0.635 -0.729) 2.468 15.303 ( 13.503 1.011 13.611) 19.200 15.400 ( -0.234 0.753 0.585) 0.982 15.430 ( -10.748 -0.904 -12.237) 16.312 17.020 ( 1.876 0.455 -2.977) 3.548 17.208 ( 2.071 1.506 -2.624) 3.666 ======================= Grid point 126 (57/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -6.154 0.000 26.050) 26.767 1.163 ( 11.308 0.000 25.869) 28.233 1.979 ( -1.085 0.000 41.941) 41.955 2.671 ( 1.529 0.000 -0.054) 1.530 3.285 ( 5.376 0.000 7.211) 8.994 3.396 ( 0.073 0.000 -4.586) 4.587 3.505 ( -2.225 0.000 -3.304) 3.983 3.718 ( 0.493 0.000 -3.831) 3.862 3.877 ( 3.990 0.000 0.138) 3.992 4.037 ( 4.077 0.000 0.795) 4.154 4.386 ( 0.885 0.000 -2.327) 2.490 4.731 ( 5.841 0.000 -5.205) 7.824 4.933 ( -3.811 0.000 -2.183) 4.392 5.218 ( 1.117 0.000 -5.655) 5.765 5.693 ( 4.363 0.000 -2.439) 4.999 5.732 ( 8.415 0.000 -5.266) 9.927 5.960 ( -11.476 0.000 -1.171) 11.536 6.519 ( -3.482 0.000 -3.317) 4.808 6.605 ( 1.893 0.000 2.452) 3.098 7.018 ( 4.385 0.000 -4.284) 6.130 7.335 ( 2.011 0.000 4.185) 4.643 7.506 ( -6.395 0.000 3.829) 7.454 7.608 ( 14.108 0.000 3.266) 14.481 7.665 ( 6.531 0.000 2.935) 7.161 7.785 ( 2.729 0.000 -5.702) 6.321 7.809 ( 1.879 0.000 -5.939) 6.229 8.104 ( -4.413 0.000 11.561) 12.374 8.130 ( -15.466 0.000 6.010) 16.592 9.223 ( 0.665 0.000 -6.665) 6.698 9.303 ( 6.963 0.000 -7.926) 10.550 9.395 ( -9.195 0.000 -2.754) 9.598 9.625 ( -0.541 0.000 -9.267) 9.282 10.094 ( 0.899 0.000 1.719) 1.940 10.440 ( -4.622 0.000 -6.793) 8.216 11.248 ( -0.299 0.000 4.982) 4.991 11.616 ( 4.856 0.000 6.724) 8.294 11.969 ( 6.836 0.000 -2.820) 7.395 12.143 ( 0.904 0.000 4.209) 4.305 12.439 ( 4.319 0.000 -0.523) 4.350 12.522 ( -5.672 0.000 -3.138) 6.482 13.382 ( -56.684 0.000 3.552) 56.795 13.694 ( 5.592 0.000 -3.029) 6.359 14.191 ( 2.775 0.000 1.881) 3.352 14.277 ( -4.054 0.000 2.126) 4.578 15.708 ( 2.526 0.000 12.218) 12.477 16.484 ( -3.710 0.000 1.969) 4.200 16.547 ( 28.224 0.000 -0.063) 28.224 16.944 ( -1.822 0.000 -5.049) 5.368 ======================= Grid point 127 (58/164) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 3.149 0.000 24.137) 24.342 1.583 ( 13.857 0.000 22.877) 26.747 2.303 ( 6.537 0.000 32.503) 33.154 2.725 ( 4.793 0.000 -2.232) 5.287 3.325 ( -4.363 0.000 -3.409) 5.536 3.351 ( -5.239 0.000 10.521) 11.753 3.447 ( 0.968 0.000 -7.765) 7.825 3.740 ( 3.853 0.000 -5.429) 6.657 3.982 ( 6.968 0.000 0.887) 7.024 4.076 ( 0.514 0.000 -2.783) 2.830 4.407 ( 2.490 0.000 -1.500) 2.907 4.818 ( 5.937 0.000 -3.977) 7.146 4.841 ( -4.607 0.000 -1.568) 4.867 5.168 ( -1.726 0.000 -5.498) 5.763 5.660 ( -6.464 0.000 -4.693) 7.988 5.854 ( 1.528 0.000 1.933) 2.464 5.871 ( 7.926 0.000 -0.449) 7.939 6.457 ( 1.108 0.000 -7.212) 7.297 6.495 ( -12.976 0.000 2.742) 13.263 7.007 ( -2.826 0.000 -3.908) 4.822 7.321 ( -4.067 0.000 -1.952) 4.511 7.474 ( -0.484 0.000 4.617) 4.642 7.668 ( -1.604 0.000 -8.976) 9.118 7.739 ( 1.596 0.000 -4.879) 5.134 7.891 ( 5.075 0.000 -2.593) 5.700 7.969 ( 11.696 0.000 2.562) 11.974 8.021 ( 1.390 0.000 14.214) 14.282 8.184 ( 2.764 0.000 14.019) 14.289 9.176 ( -5.817 0.000 -0.767) 5.868 9.224 ( -0.980 0.000 -7.031) 7.099 9.350 ( 0.903 0.000 -2.674) 2.822 9.555 ( 2.045 0.000 -11.757) 11.934 10.112 ( -0.498 0.000 1.575) 1.652 10.229 ( -13.084 0.000 -3.752) 13.611 11.256 ( -2.298 0.000 5.595) 6.048 11.700 ( -1.260 0.000 7.237) 7.346 12.010 ( 1.303 0.000 -5.774) 5.919 12.136 ( -3.722 0.000 3.777) 5.303 12.389 ( -20.204 0.000 9.942) 22.517 12.465 ( 1.259 0.000 -5.049) 5.204 12.808 ( -0.829 0.000 8.334) 8.375 13.788 ( 5.780 0.000 0.301) 5.788 14.235 ( -1.756 0.000 1.272) 2.168 14.255 ( 2.128 0.000 2.876) 3.578 15.800 ( -2.080 0.000 11.555) 11.740 16.435 ( -2.203 0.000 1.364) 2.591 16.849 ( -3.348 0.000 -5.922) 6.803 16.910 ( 13.443 0.000 -6.152) 14.784 ======================= Grid point 128 (59/164) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.885 0.000 19.482) 20.663 1.962 ( 9.408 0.000 21.657) 23.612 2.597 ( 5.695 0.000 16.052) 17.033 2.806 ( 5.274 0.000 -3.872) 6.543 3.208 ( -5.520 0.000 -1.081) 5.625 3.290 ( -9.085 0.000 14.822) 17.385 3.428 ( 3.011 0.000 -9.413) 9.883 3.755 ( 1.675 0.000 -5.814) 6.051 4.029 ( -1.832 0.000 -5.732) 6.018 4.142 ( 9.156 0.000 0.188) 9.158 4.434 ( 1.164 0.000 -2.653) 2.898 4.740 ( -4.732 0.000 -1.482) 4.958 4.870 ( 2.233 0.000 -5.542) 5.975 5.112 ( 0.142 0.000 -3.933) 3.936 5.496 ( -6.058 0.000 -6.416) 8.825 5.917 ( -0.630 0.000 6.024) 6.057 6.012 ( 5.859 0.000 2.920) 6.546 6.257 ( -10.999 0.000 2.686) 11.322 6.451 ( 4.309 0.000 -12.271) 13.006 6.877 ( -6.243 0.000 -6.792) 9.225 7.190 ( -6.426 0.000 -1.921) 6.707 7.481 ( -3.101 0.000 -0.594) 3.157 7.575 ( -1.286 0.000 -1.462) 1.947 7.719 ( -0.902 0.000 -0.875) 1.257 8.002 ( 9.160 0.000 0.444) 9.171 8.125 ( 4.322 0.000 0.407) 4.342 8.212 ( 5.882 0.000 6.506) 8.771 8.341 ( 3.253 0.000 7.992) 8.629 9.051 ( -5.321 0.000 4.859) 7.206 9.254 ( 6.492 0.000 -5.793) 8.701 9.299 ( -2.889 0.000 -1.873) 3.443 9.570 ( 5.380 0.000 -6.597) 8.513 9.938 ( -16.102 0.000 2.542) 16.301 10.088 ( -3.102 0.000 1.285) 3.357 11.251 ( -2.167 0.000 5.611) 6.015 11.658 ( -9.462 0.000 11.109) 14.593 11.980 ( 1.701 0.000 -7.695) 7.881 12.086 ( -3.497 0.000 1.911) 3.985 12.167 ( -9.549 0.000 13.350) 16.414 12.453 ( 0.822 0.000 -4.852) 4.921 13.021 ( 14.453 0.000 -0.207) 14.454 13.929 ( 7.363 0.000 4.273) 8.513 14.220 ( -0.557 0.000 0.181) 0.586 14.304 ( 0.371 0.000 4.091) 4.108 15.768 ( -7.843 0.000 6.768) 10.359 16.434 ( 0.565 0.000 2.883) 2.937 16.726 ( -3.893 0.000 -8.409) 9.266 17.048 ( 6.038 0.000 -5.593) 8.230 ======================= Grid point 129 (60/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 4.589 0.000 14.594) 15.298 2.202 ( 0.174 0.000 19.843) 19.844 2.717 ( 0.345 0.000 2.751) 2.772 2.839 ( 0.391 0.000 -3.569) 3.590 3.143 ( -0.582 0.000 0.753) 0.952 3.223 ( -8.803 0.000 15.299) 17.651 3.442 ( 4.896 0.000 -7.701) 9.126 3.727 ( -0.194 0.000 -6.145) 6.148 3.947 ( -1.792 0.000 -7.342) 7.558 4.321 ( 9.719 0.000 -0.970) 9.767 4.403 ( -1.454 0.000 -4.864) 5.076 4.659 ( -2.240 0.000 -1.805) 2.876 4.832 ( -0.881 0.000 -6.985) 7.040 5.117 ( 2.453 0.000 -4.280) 4.933 5.335 ( -6.500 0.000 -7.230) 9.722 5.816 ( -12.353 0.000 5.901) 13.690 6.120 ( 2.607 0.000 3.211) 4.136 6.229 ( 3.221 0.000 6.151) 6.943 6.422 ( 2.570 0.000 -14.900) 15.120 6.697 ( -5.705 0.000 -11.194) 12.563 7.131 ( -0.006 0.000 4.847) 4.847 7.380 ( -3.911 0.000 -1.658) 4.248 7.591 ( 0.210 0.000 3.758) 3.764 7.708 ( -0.140 0.000 0.563) 0.580 8.152 ( -0.203 0.000 -6.036) 6.039 8.206 ( 8.323 0.000 4.003) 9.236 8.257 ( 0.686 0.000 -7.828) 7.858 8.367 ( -2.116 0.000 1.010) 2.345 9.078 ( 0.919 0.000 12.546) 12.580 9.274 ( 0.228 0.000 2.774) 2.783 9.366 ( 7.627 0.000 -1.559) 7.784 9.645 ( 5.236 0.000 -1.566) 5.465 9.689 ( -13.055 0.000 6.686) 14.668 10.016 ( -5.186 0.000 1.231) 5.330 11.245 ( -2.457 0.000 4.703) 5.306 11.530 ( -10.949 0.000 10.137) 14.921 11.986 ( 3.472 0.000 -6.403) 7.284 12.018 ( -3.885 0.000 -2.486) 4.612 12.142 ( -2.391 0.000 9.404) 9.703 12.458 ( 2.512 0.000 -0.194) 2.519 13.292 ( 14.574 0.000 -2.014) 14.713 14.083 ( 3.439 0.000 2.867) 4.478 14.233 ( 2.777 0.000 3.474) 4.448 14.323 ( -1.911 0.000 5.926) 6.227 15.617 ( -10.111 0.000 0.916) 10.152 16.481 ( 1.323 0.000 4.477) 4.669 16.595 ( -3.017 0.000 -10.910) 11.319 17.086 ( 2.300 0.000 -5.510) 5.971 ======================= Grid point 130 (61/164) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -3.072 0.000 11.464) 11.868 2.225 ( -10.889 0.000 17.342) 20.477 2.651 ( -6.470 0.000 -5.282) 8.352 2.805 ( -0.558 0.000 -2.156) 2.227 3.170 ( 1.746 0.000 0.462) 1.806 3.173 ( -7.320 0.000 15.281) 16.944 3.512 ( 7.098 0.000 -5.698) 9.102 3.667 ( -1.109 0.000 -7.410) 7.493 3.873 ( -0.160 0.000 -8.321) 8.322 4.336 ( -1.230 0.000 -5.617) 5.750 4.472 ( 6.552 0.000 -5.558) 8.592 4.632 ( -0.078 0.000 1.543) 1.545 4.764 ( -0.605 0.000 -7.483) 7.508 5.121 ( 1.406 0.000 -6.025) 6.187 5.164 ( -5.072 0.000 -4.782) 6.971 5.646 ( -8.054 0.000 3.721) 8.872 6.108 ( -4.423 0.000 -4.278) 6.153 6.360 ( 4.027 0.000 8.561) 9.461 6.377 ( 2.754 0.000 -10.882) 11.225 6.574 ( 0.401 0.000 -5.718) 5.732 7.227 ( 5.051 0.000 5.344) 7.353 7.353 ( 1.020 0.000 1.848) 2.111 7.612 ( -0.867 0.000 3.065) 3.185 7.715 ( 0.255 0.000 0.711) 0.755 8.002 ( -7.288 0.000 -13.719) 15.535 8.071 ( -9.845 0.000 -8.464) 12.984 8.381 ( 2.610 0.000 3.519) 4.381 8.445 ( 13.634 0.000 -4.363) 14.315 9.188 ( -0.194 0.000 13.010) 13.011 9.316 ( -0.367 0.000 6.694) 6.704 9.497 ( 0.297 0.000 8.912) 8.917 9.565 ( 0.000 0.000 2.766) 2.766 9.724 ( 2.392 0.000 -0.249) 2.405 9.933 ( -3.493 0.000 2.230) 4.144 11.216 ( -3.541 0.000 3.262) 4.815 11.394 ( -9.617 0.000 7.301) 12.075 11.914 ( -3.621 0.000 -4.885) 6.081 11.998 ( -0.091 0.000 -1.073) 1.077 12.191 ( 2.385 0.000 4.242) 4.867 12.558 ( 6.248 0.000 4.295) 7.582 13.536 ( 12.828 0.000 -2.539) 13.077 14.053 ( -4.601 0.000 -2.760) 5.365 14.322 ( -3.233 0.000 9.255) 9.803 14.384 ( 5.596 0.000 9.566) 11.082 15.430 ( -8.131 0.000 -2.904) 8.634 16.461 ( -2.213 0.000 -14.258) 14.429 16.533 ( 0.621 0.000 4.759) 4.799 17.071 ( 0.422 0.000 -5.511) 5.527 ======================= Grid point 131 (62/164) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -11.933 0.000 11.662) 16.685 2.033 ( -20.135 0.000 11.760) 23.317 2.424 ( -12.985 0.000 -3.258) 13.387 2.801 ( 1.393 0.000 -3.056) 3.359 3.149 ( -6.192 0.000 13.880) 15.198 3.194 ( 0.935 0.000 -0.150) 0.947 3.595 ( -0.129 0.000 -8.241) 8.242 3.614 ( 6.740 0.000 -5.389) 8.630 3.827 ( 1.248 0.000 -8.594) 8.684 4.300 ( 1.349 0.000 -4.485) 4.683 4.376 ( -10.188 0.000 -5.877) 11.761 4.730 ( 2.455 0.000 -6.612) 7.054 4.734 ( 7.563 0.000 2.859) 8.086 5.086 ( -0.312 0.000 -6.987) 6.993 5.185 ( 9.491 0.000 0.232) 9.494 5.559 ( -3.545 0.000 1.818) 3.984 5.935 ( -6.177 0.000 -11.678) 13.211 6.393 ( 3.975 0.000 -3.050) 5.010 6.473 ( 1.486 0.000 8.210) 8.343 6.613 ( 5.093 0.000 -2.123) 5.518 7.348 ( 3.625 0.000 2.577) 4.447 7.424 ( 3.991 0.000 2.639) 4.785 7.553 ( -6.873 0.000 -5.088) 8.551 7.723 ( 0.449 0.000 -0.454) 0.639 7.799 ( -3.456 0.000 -6.125) 7.033 7.815 ( -9.802 0.000 -7.761) 12.503 8.492 ( 5.956 0.000 3.064) 6.699 8.666 ( 13.799 0.000 -7.582) 15.745 9.211 ( -5.563 0.000 10.542) 11.920 9.308 ( -6.998 0.000 8.439) 10.963 9.515 ( -0.426 0.000 8.396) 8.407 9.697 ( -2.201 0.000 -2.847) 3.598 9.720 ( 8.409 0.000 7.050) 10.973 9.956 ( 2.411 0.000 3.593) 4.327 11.160 ( -3.961 0.000 2.129) 4.497 11.274 ( -7.751 0.000 6.350) 10.020 11.846 ( -0.145 0.000 -3.133) 3.136 11.962 ( -3.816 0.000 1.750) 4.198 12.276 ( 4.207 0.000 1.442) 4.447 12.728 ( 7.286 0.000 5.916) 9.385 13.740 ( 10.436 0.000 -2.262) 10.678 13.904 ( -8.100 0.000 -4.631) 9.330 14.354 ( -1.296 0.000 15.321) 15.375 14.515 ( 0.776 0.000 9.219) 9.251 15.302 ( -2.619 0.000 -2.781) 3.820 16.300 ( -3.381 0.000 -19.407) 19.699 16.566 ( -0.390 0.000 4.412) 4.429 17.036 ( -0.164 0.000 -4.879) 4.882 ======================= Grid point 132 (63/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -17.480 0.000 14.242) 22.547 1.631 ( -26.326 0.000 2.615) 26.456 2.161 ( -18.093 0.000 13.234) 22.416 2.784 ( -1.290 0.000 -3.303) 3.546 3.114 ( -6.259 0.000 10.581) 12.294 3.229 ( 3.747 0.000 -1.146) 3.918 3.549 ( 1.582 0.000 -8.151) 8.303 3.695 ( 5.601 0.000 -5.780) 8.048 3.806 ( 2.405 0.000 -6.664) 7.085 4.131 ( -10.876 0.000 -3.106) 11.311 4.323 ( 3.323 0.000 -2.815) 4.355 4.753 ( 3.625 0.000 -7.158) 8.023 4.901 ( 7.570 0.000 2.006) 7.832 5.038 ( 1.103 0.000 -5.665) 5.772 5.475 ( 17.101 0.000 2.412) 17.270 5.530 ( 0.645 0.000 2.332) 2.420 5.761 ( -2.540 0.000 -13.746) 13.979 6.476 ( 4.357 0.000 3.076) 5.333 6.517 ( -2.252 0.000 5.919) 6.333 6.708 ( 6.816 0.000 -3.665) 7.738 7.326 ( -8.205 0.000 -9.171) 12.306 7.339 ( -4.570 0.000 -3.508) 5.761 7.518 ( 2.843 0.000 3.640) 4.618 7.656 ( -4.498 0.000 2.060) 4.948 7.737 ( 3.055 0.000 -4.077) 5.095 7.779 ( 1.420 0.000 -0.480) 1.499 8.586 ( -0.118 0.000 1.933) 1.937 8.848 ( 10.048 0.000 -8.427) 13.113 9.156 ( -12.407 0.000 5.111) 13.418 9.172 ( -2.524 0.000 5.044) 5.640 9.584 ( 1.736 0.000 5.637) 5.898 9.666 ( 1.140 0.000 -3.190) 3.387 9.963 ( 11.324 0.000 10.332) 15.329 10.020 ( 1.631 0.000 2.620) 3.086 11.115 ( -1.784 0.000 2.111) 2.763 11.202 ( -4.826 0.000 8.980) 10.195 11.867 ( 3.206 0.000 -0.023) 3.206 11.885 ( -5.271 0.000 1.902) 5.604 12.356 ( 3.220 0.000 0.509) 3.260 12.882 ( 3.620 0.000 5.992) 7.001 13.707 ( -7.813 0.000 -6.358) 10.073 13.900 ( 7.840 0.000 -1.470) 7.977 14.529 ( -3.486 0.000 6.948) 7.774 14.529 ( 6.121 0.000 23.179) 23.973 15.304 ( 2.858 0.000 1.939) 3.454 16.033 ( -9.363 0.000 -27.045) 28.620 16.578 ( -1.405 0.000 3.985) 4.225 17.007 ( 0.289 0.000 -3.604) 3.616 ======================= Grid point 133 (64/164) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -24.964 0.000 7.943) 26.197 1.363 ( -19.148 0.000 18.193) 26.412 1.931 ( -20.196 0.000 27.815) 34.373 2.721 ( -3.243 0.000 -0.734) 3.325 3.077 ( -3.994 0.000 9.692) 10.482 3.310 ( 5.832 0.000 -3.339) 6.720 3.541 ( 2.888 0.000 -7.130) 7.693 3.750 ( 4.581 0.000 -6.027) 7.571 3.839 ( 4.456 0.000 -2.335) 5.030 3.941 ( -7.804 0.000 -1.283) 7.909 4.369 ( 2.810 0.000 -2.047) 3.477 4.730 ( 0.424 0.000 -9.189) 9.199 5.014 ( 2.737 0.000 0.515) 2.785 5.087 ( 6.645 0.000 -3.486) 7.504 5.537 ( 3.186 0.000 -1.804) 3.661 5.660 ( 1.702 0.000 -13.419) 13.527 5.907 ( 20.958 0.000 6.925) 22.073 6.450 ( -7.547 0.000 1.141) 7.633 6.577 ( 2.410 0.000 5.406) 5.919 6.819 ( 8.217 0.000 -5.606) 9.947 7.200 ( -0.057 0.000 -0.992) 0.994 7.213 ( -4.056 0.000 -2.192) 4.611 7.579 ( 0.811 0.000 4.120) 4.199 7.613 ( -3.704 0.000 5.443) 6.584 7.782 ( 4.803 0.000 -6.003) 7.687 7.804 ( 1.789 0.000 -2.423) 3.012 8.471 ( -12.779 0.000 2.668) 13.055 8.767 ( -17.119 0.000 4.701) 17.752 9.100 ( 9.355 0.000 -11.455) 14.789 9.202 ( 3.414 0.000 -1.781) 3.850 9.624 ( -0.516 0.000 0.655) 0.833 9.677 ( 2.013 0.000 -3.746) 4.252 10.051 ( 0.335 0.000 1.787) 1.818 10.273 ( 14.058 0.000 5.321) 15.032 11.131 ( 1.504 0.000 2.987) 3.344 11.237 ( 0.940 0.000 14.092) 14.123 11.814 ( -2.860 0.000 2.205) 3.612 11.952 ( 4.520 0.000 2.450) 5.141 12.398 ( 1.132 0.000 -0.150) 1.142 12.894 ( -6.778 0.000 3.634) 7.691 13.580 ( 0.232 0.000 -6.388) 6.392 14.018 ( 5.499 0.000 -0.612) 5.533 14.454 ( -6.058 0.000 2.923) 6.726 14.997 ( 22.499 0.000 28.974) 36.684 15.412 ( 4.743 0.000 6.873) 8.351 15.526 ( -23.301 0.000 -32.025) 39.604 16.568 ( -2.417 0.000 3.592) 4.329 16.997 ( 0.801 0.000 -2.821) 2.933 ======================= Grid point 134 (65/164) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -7.812 0.000 23.754) 25.006 1.165 ( -15.564 0.000 23.089) 27.845 1.830 ( -13.111 0.000 38.887) 41.038 2.671 ( -1.805 0.000 0.915) 2.024 3.129 ( 2.415 0.000 10.970) 11.232 3.383 ( 4.318 0.000 -4.591) 6.303 3.544 ( 1.710 0.000 -6.301) 6.529 3.771 ( -0.447 0.000 -5.094) 5.113 3.831 ( -1.125 0.000 0.551) 1.252 3.934 ( 5.505 0.000 0.970) 5.590 4.390 ( 0.915 0.000 -2.130) 2.318 4.692 ( 2.719 0.000 -8.074) 8.520 5.008 ( -2.304 0.000 -1.606) 2.809 5.188 ( 5.578 0.000 -4.086) 6.914 5.610 ( 5.567 0.000 -2.503) 6.104 5.647 ( 5.784 0.000 -10.555) 12.036 6.180 ( -7.372 0.000 1.992) 7.637 6.402 ( 12.893 0.000 1.240) 12.953 6.599 ( -3.010 0.000 1.506) 3.366 6.932 ( 7.728 0.000 -6.156) 9.880 7.221 ( 4.044 0.000 4.374) 5.957 7.318 ( 10.008 0.000 5.995) 11.667 7.592 ( -3.305 0.000 4.317) 5.437 7.594 ( -1.682 0.000 5.544) 5.793 7.802 ( 1.024 0.000 -5.969) 6.057 7.816 ( 3.350 0.000 -7.667) 8.367 8.222 ( -14.021 0.000 6.153) 15.312 8.436 ( -19.854 0.000 5.258) 20.539 9.211 ( 9.860 0.000 -11.943) 15.487 9.238 ( 2.518 0.000 -5.480) 6.030 9.559 ( -5.582 0.000 -2.551) 6.137 9.675 ( 0.902 0.000 -5.889) 5.958 10.068 ( 0.463 0.000 1.627) 1.691 10.475 ( 5.644 0.000 -4.315) 7.104 11.196 ( 2.234 0.000 4.040) 4.617 11.426 ( 7.996 0.000 11.501) 14.008 11.839 ( 4.314 0.000 2.443) 4.958 12.059 ( 4.238 0.000 3.790) 5.686 12.405 ( 0.285 0.000 -0.373) 0.469 12.711 ( -11.574 0.000 -0.394) 11.581 13.611 ( 5.630 0.000 -4.656) 7.306 14.102 ( 3.160 0.000 -0.280) 3.173 14.357 ( -5.768 0.000 2.295) 6.208 14.564 ( -49.419 0.000 -26.336) 55.999 15.561 ( 4.485 0.000 10.272) 11.209 15.832 ( 37.674 0.000 19.374) 42.364 16.535 ( -3.356 0.000 2.996) 4.499 16.988 ( 0.127 0.000 -3.432) 3.434 ======================= Grid point 135 (66/164) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 6.854 9.220 21.125) 24.046 1.346 ( 1.427 12.944 24.149) 27.437 2.120 ( -1.728 11.611 34.025) 35.993 2.638 ( 1.474 -3.374 1.979) 4.180 3.181 ( 0.815 -4.346 7.582) 8.777 3.413 ( 4.974 -1.448 -8.165) 9.669 3.607 ( -3.775 5.503 -0.211) 6.676 3.738 ( 3.061 2.902 -4.739) 6.344 3.938 ( 3.831 3.914 0.524) 5.502 4.087 ( 1.908 5.960 -0.119) 6.259 4.287 ( -1.626 -7.165 1.412) 7.482 4.679 ( 5.118 -3.830 -2.569) 6.890 5.022 ( 0.353 4.824 -4.661) 6.717 5.210 ( 0.335 0.577 -4.833) 4.879 5.649 ( 2.575 -1.434 -8.071) 8.593 5.784 ( 7.761 1.323 0.234) 7.876 5.916 ( -10.287 -4.177 -1.786) 11.246 6.550 ( -3.326 2.392 -3.934) 5.680 6.569 ( 3.634 -1.755 4.224) 5.841 7.012 ( 5.027 -0.769 -5.649) 7.601 7.289 ( -2.949 -4.737 2.696) 6.196 7.431 ( -2.139 -5.627 3.296) 6.863 7.581 ( 6.473 -0.293 1.021) 6.559 7.701 ( 6.805 1.720 5.152) 8.706 7.774 ( 2.518 -0.661 -7.288) 7.739 7.871 ( 5.617 4.495 -3.120) 7.842 8.104 ( -6.296 -0.149 7.449) 9.754 8.151 ( -13.322 1.911 9.241) 16.325 9.183 ( 1.418 -3.183 -5.762) 6.733 9.270 ( 5.431 -1.324 -8.924) 10.530 9.415 ( -6.026 1.534 -3.444) 7.108 9.693 ( 1.576 3.170 -7.941) 8.694 10.098 ( -0.224 0.853 5.188) 5.263 10.475 ( -4.546 3.249 -5.654) 7.949 11.168 ( -0.513 -6.557 5.985) 8.893 11.542 ( 3.157 -9.701 3.635) 10.830 11.933 ( 5.352 1.566 3.182) 6.420 12.175 ( -1.563 1.949 3.847) 4.588 12.342 ( 4.154 -4.012 -0.467) 5.794 12.605 ( -2.817 3.340 -2.308) 4.941 13.108 ( -31.968 -12.992 13.633) 37.102 13.968 ( -2.978 12.147 -11.359) 16.895 14.208 ( 2.889 1.423 1.753) 3.666 14.345 ( -10.454 6.577 -1.885) 12.494 15.710 ( 2.143 0.208 12.366) 12.552 16.218 ( 13.621 -11.352 8.649) 19.729 16.792 ( 7.879 9.817 -5.404) 13.699 16.960 ( -1.691 1.424 -5.436) 5.868 ======================= Grid point 136 (67/164) ======================= q-point: ( 0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 4.439 12.211 19.570) 23.490 1.674 ( 12.681 7.869 20.924) 25.701 2.375 ( 4.990 6.239 26.953) 28.112 2.697 ( 3.860 -2.830 0.020) 4.786 3.200 ( -4.004 -4.303 6.313) 8.625 3.434 ( 3.945 -0.096 -10.391) 11.115 3.527 ( -5.299 6.047 3.357) 8.713 3.769 ( 2.900 3.414 -5.507) 7.099 4.023 ( 4.071 4.645 0.865) 6.237 4.077 ( -0.636 -1.475 -1.686) 2.328 4.311 ( 2.164 -4.890 1.634) 5.592 4.765 ( 4.490 -3.576 -0.890) 5.808 4.975 ( -1.943 8.676 -4.746) 10.079 5.162 ( -1.636 -0.492 -4.940) 5.227 5.620 ( -2.238 -2.298 -4.276) 5.346 5.796 ( 0.198 -3.875 -0.975) 4.001 5.928 ( 6.589 1.567 1.208) 6.880 6.433 ( -6.962 0.392 -3.600) 7.847 6.562 ( -3.266 4.096 -0.538) 5.266 7.002 ( -2.739 -0.322 -4.581) 5.348 7.229 ( -4.434 -7.478 -0.811) 8.731 7.430 ( 0.026 -5.477 4.658) 7.190 7.583 ( -1.849 -3.630 -7.431) 8.474 7.770 ( 1.557 -0.772 -3.316) 3.744 7.858 ( 2.826 -2.216 -1.188) 3.783 7.922 ( 1.301 -0.276 4.273) 4.475 8.108 ( 7.422 4.122 6.511) 10.699 8.212 ( 4.368 2.806 12.341) 13.388 9.154 ( -2.980 -1.175 -1.679) 3.617 9.241 ( 0.393 1.569 -8.042) 8.203 9.352 ( 0.517 0.097 -2.107) 2.172 9.664 ( 2.889 6.625 -10.855) 13.041 10.105 ( -2.312 0.826 3.444) 4.230 10.272 ( -13.142 3.658 -2.313) 13.837 11.176 ( -2.590 -6.828 6.175) 9.563 11.576 ( -2.014 -12.408 4.109) 13.225 11.989 ( -1.555 2.743 1.475) 3.481 12.165 ( -0.867 1.780 2.387) 3.101 12.344 ( -8.556 -0.430 7.257) 11.228 12.581 ( -1.658 4.852 -3.530) 6.225 12.807 ( 0.417 0.010 8.600) 8.610 13.903 ( 2.103 9.177 -4.841) 10.587 14.245 ( -2.620 1.116 1.597) 3.265 14.273 ( 2.223 1.507 2.704) 3.811 15.792 ( -2.699 -0.702 11.381) 11.717 16.379 ( 1.665 -4.257 4.063) 6.116 16.871 ( -2.963 1.836 -6.369) 7.260 16.935 ( 9.575 1.917 -6.366) 11.657 ======================= Grid point 137 (68/164) ======================= q-point: ( 0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.503 10.347 16.207) 20.298 2.025 ( 8.850 5.474 19.224) 21.859 2.613 ( 5.061 1.384 11.754) 12.872 2.776 ( 4.546 -2.818 -1.022) 5.445 3.134 ( -6.732 -2.500 6.358) 9.592 3.401 ( -3.559 5.189 0.283) 6.299 3.490 ( 1.542 4.213 -2.658) 5.214 3.758 ( -0.184 1.113 -5.086) 5.210 4.008 ( -0.899 -1.620 -4.270) 4.655 4.170 ( 7.206 2.280 1.585) 7.723 4.347 ( 1.160 -3.785 -1.864) 4.376 4.793 ( -2.390 0.011 -1.571) 2.860 4.899 ( -0.764 2.944 -5.831) 6.577 5.103 ( -1.251 1.742 -2.998) 3.687 5.540 ( -2.007 3.160 -5.541) 6.687 5.858 ( 2.736 -5.053 4.194) 7.114 6.020 ( 0.150 -0.697 2.618) 2.714 6.261 ( -6.537 1.861 -0.273) 6.802 6.513 ( 1.146 4.739 -8.702) 9.974 6.865 ( -6.728 -1.033 -6.927) 9.712 7.111 ( -6.553 -7.037 0.671) 9.639 7.455 ( -2.687 -6.863 -4.998) 8.905 7.495 ( -0.202 -0.517 2.987) 3.038 7.758 ( -0.167 0.826 -2.232) 2.386 7.915 ( 5.587 -6.789 3.354) 9.411 8.051 ( 6.537 -4.883 0.527) 8.177 8.262 ( 4.233 3.324 3.240) 6.282 8.364 ( 2.878 2.619 4.268) 5.775 9.077 ( -3.436 1.901 4.306) 5.827 9.243 ( 2.138 0.487 -3.884) 4.461 9.352 ( 2.288 2.135 -2.858) 4.239 9.676 ( 5.060 7.237 -7.864) 11.824 9.966 ( -15.609 4.014 2.790) 16.356 10.080 ( -5.411 -0.334 3.989) 6.731 11.166 ( -2.678 -7.149 5.699) 9.527 11.540 ( -4.670 -11.486 4.914) 13.337 11.913 ( -6.143 1.596 0.633) 6.378 12.168 ( -0.469 3.242 4.702) 5.731 12.275 ( -3.429 7.120 9.073) 12.032 12.519 ( -1.102 5.061 -6.345) 8.191 13.027 ( 14.641 0.648 0.365) 14.660 13.971 ( 5.723 3.738 1.440) 6.985 14.225 ( -0.704 0.667 0.952) 1.359 14.322 ( 0.366 1.470 3.862) 4.148 15.751 ( -7.955 -1.490 6.510) 10.387 16.413 ( -0.042 -1.641 3.165) 3.566 16.769 ( -2.419 3.509 -7.364) 8.509 17.039 ( 5.563 -0.706 -5.669) 7.974 ======================= Grid point 138 (69/164) ======================= q-point: ( 0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 3.658 7.653 12.027) 14.718 2.232 ( -0.192 2.675 15.718) 15.945 2.714 ( 0.864 -0.072 1.495) 1.728 2.838 ( 2.440 -0.966 -1.840) 3.205 3.067 ( -4.414 -2.591 7.625) 9.183 3.338 ( -5.300 7.133 6.627) 11.086 3.530 ( 5.342 5.403 -5.434) 9.340 3.701 ( -1.708 -1.293 -5.266) 5.685 3.966 ( -0.001 1.726 -6.425) 6.653 4.315 ( 4.499 -0.620 -4.716) 6.547 4.340 ( 3.369 -3.049 0.943) 4.641 4.682 ( -4.854 1.890 -4.521) 6.897 4.858 ( -0.962 -2.399 -5.397) 5.984 5.068 ( -1.159 2.382 -2.098) 3.379 5.457 ( -2.951 7.397 -6.584) 10.333 5.826 ( -9.860 0.816 5.551) 11.344 6.037 ( 2.755 -6.848 2.887) 7.926 6.248 ( 2.229 1.956 -0.183) 2.971 6.468 ( 1.010 3.203 -9.300) 9.888 6.677 ( -6.024 -1.909 -10.524) 12.276 7.057 ( -1.040 -6.556 6.212) 9.091 7.358 ( -2.162 -1.819 -3.386) 4.410 7.541 ( 0.423 -3.152 5.148) 6.051 7.756 ( 1.151 2.350 -1.561) 3.047 8.065 ( 6.480 -9.817 4.297) 12.523 8.152 ( 4.192 -2.301 -5.892) 7.588 8.288 ( -0.925 2.771 -4.831) 5.646 8.347 ( -2.553 -0.132 -2.604) 3.650 9.099 ( -0.002 0.396 8.303) 8.312 9.279 ( 1.979 2.552 6.025) 6.836 9.413 ( 5.779 2.206 -3.292) 7.007 9.673 ( -9.173 -0.388 4.073) 10.044 9.776 ( -0.411 8.611 0.408) 8.631 10.005 ( -4.991 0.599 3.864) 6.340 11.147 ( -3.216 -7.671 4.329) 9.377 11.475 ( -5.319 -8.249 4.314) 10.721 11.816 ( -3.752 -1.024 -0.381) 3.907 12.193 ( -3.402 4.648 10.379) 11.870 12.285 ( 1.058 11.539 -4.401) 12.395 12.490 ( 2.638 2.726 0.001) 3.793 13.306 ( 14.811 1.331 -1.875) 14.988 14.078 ( 2.055 -0.518 0.583) 2.198 14.253 ( 3.319 1.938 4.471) 5.896 14.338 ( -1.920 1.320 5.810) 6.259 15.600 ( -9.847 -1.415 0.838) 9.984 16.413 ( -1.706 -3.709 0.253) 4.090 16.695 ( -0.169 6.542 -6.048) 8.911 17.073 ( 2.322 -1.050 -5.523) 6.082 ======================= Grid point 139 (70/164) ======================= q-point: (-0.56 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -5.223 3.848 9.862) 11.804 2.250 ( -6.599 2.205 11.373) 13.332 2.634 ( -8.674 -0.915 -4.758) 9.936 2.848 ( 0.074 2.608 -0.500) 2.657 3.086 ( -0.297 -2.829 8.393) 8.862 3.293 ( -4.499 6.772 6.869) 10.643 3.607 ( 6.343 6.212 -5.978) 10.704 3.643 ( 0.198 -1.017 -5.782) 5.875 3.909 ( -0.738 3.371 -8.268) 8.959 4.277 ( -0.420 -3.946 -6.182) 7.346 4.500 ( 8.638 0.658 -0.658) 8.688 4.572 ( -4.249 -2.320 -2.879) 5.632 4.791 ( -1.249 -1.417 -4.774) 5.134 5.025 ( -0.900 1.270 -2.631) 3.057 5.338 ( -4.828 7.827 -4.256) 10.133 5.694 ( -5.521 4.088 1.225) 6.978 6.074 ( -1.721 -3.828 -0.872) 4.287 6.261 ( 1.840 -3.466 -5.946) 7.124 6.457 ( 2.112 2.297 -1.874) 3.640 6.560 ( 0.168 -1.006 -3.610) 3.751 7.129 ( 3.248 -7.699 6.294) 10.461 7.348 ( 2.190 -0.611 -0.417) 2.311 7.576 ( -0.409 -2.833 5.100) 5.848 7.771 ( 1.327 3.504 -1.666) 4.100 8.023 ( -7.753 2.526 -12.448) 14.881 8.121 ( -9.177 4.055 -9.086) 13.536 8.226 ( 7.262 -10.877 2.572) 13.329 8.430 ( 10.444 -2.915 -2.965) 11.242 9.159 ( -0.419 -2.664 8.706) 9.114 9.358 ( -0.906 3.198 9.649) 10.205 9.488 ( -4.060 -0.326 8.833) 9.727 9.574 ( 3.205 1.424 1.482) 3.808 9.764 ( -3.179 -0.536 -1.422) 3.523 9.992 ( 1.218 7.795 4.574) 9.120 11.100 ( -4.196 -7.864 2.634) 9.294 11.404 ( -4.699 -4.451 3.095) 7.174 11.760 ( -1.893 -2.336 -1.354) 3.297 12.160 ( -5.761 6.945 5.932) 10.799 12.264 ( 0.830 5.588 -2.708) 6.264 12.629 ( 8.691 5.938 4.626) 11.497 13.551 ( 12.715 1.425 -2.857) 13.110 14.035 ( -4.410 -1.669 -3.243) 5.723 14.323 ( -3.744 0.172 9.290) 10.018 14.412 ( 5.647 2.530 8.835) 10.786 15.419 ( -7.871 -0.954 -2.835) 8.420 16.343 ( -3.184 -5.632 -6.816) 9.398 16.680 ( 1.175 8.173 -2.395) 8.597 17.061 ( 0.523 -0.945 -5.372) 5.480 ======================= Grid point 140 (71/164) ======================= q-point: (-0.44 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -13.078 1.112 11.361) 17.359 2.117 ( -16.774 6.227 6.921) 19.185 2.386 ( -10.526 -2.853 -4.899) 11.955 2.826 ( -2.168 1.375 -1.234) 2.849 3.130 ( -1.899 -0.615 9.017) 9.235 3.252 ( -3.192 3.892 2.939) 5.828 3.634 ( 2.259 3.093 -5.119) 6.393 3.684 ( 6.480 5.930 -6.148) 10.722 3.837 ( -0.135 1.477 -9.223) 9.342 4.244 ( 1.211 -4.130 -4.354) 6.122 4.367 ( -11.561 -0.914 -3.394) 12.084 4.697 ( 7.148 -1.051 -1.383) 7.356 4.786 ( 4.688 2.910 -0.366) 5.530 5.033 ( 2.297 -0.981 -2.720) 3.693 5.273 ( 2.621 4.664 -1.393) 5.528 5.625 ( -2.341 5.036 -0.904) 5.627 5.960 ( -3.815 2.619 -11.165) 12.086 6.296 ( 3.991 -6.904 0.164) 7.976 6.503 ( 1.974 0.594 1.270) 2.421 6.598 ( 3.666 -1.332 0.249) 3.909 7.242 ( 4.178 -8.125 4.932) 10.382 7.397 ( 2.421 -2.384 -1.802) 3.846 7.579 ( -3.447 0.723 2.535) 4.340 7.747 ( -4.509 1.360 -7.194) 8.598 7.808 ( -2.869 3.781 -4.881) 6.808 7.880 ( -7.684 3.998 -8.053) 11.827 8.398 ( 8.321 -7.631 2.854) 11.645 8.623 ( 12.782 -3.814 -6.825) 14.983 9.168 ( -5.187 -3.271 8.121) 10.176 9.343 ( -8.566 2.281 11.373) 14.420 9.486 ( -0.400 -2.754 8.961) 9.383 9.666 ( -1.376 -1.985 -2.845) 3.732 9.729 ( 5.484 1.127 4.256) 7.032 10.073 ( 3.482 8.965 4.019) 10.423 11.035 ( -3.774 -6.987 1.712) 8.124 11.344 ( -3.839 -0.889 2.985) 4.944 11.725 ( -0.370 -2.496 -1.885) 3.150 12.086 ( -5.052 6.606 3.420) 8.992 12.282 ( 0.999 0.703 1.820) 2.192 12.836 ( 8.856 8.277 5.254) 13.211 13.737 ( 8.054 -0.193 -3.268) 8.694 13.901 ( -5.286 -0.376 -4.887) 7.209 14.316 ( -5.188 -2.672 13.894) 15.070 14.566 ( 3.746 3.919 9.727) 11.136 15.296 ( -2.458 -0.521 -2.582) 3.603 16.198 ( -4.989 -6.413 -14.088) 16.263 16.693 ( 1.062 8.495 -0.587) 8.581 17.030 ( 0.075 -0.506 -4.549) 4.578 ======================= Grid point 141 (72/164) ======================= q-point: (-0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -16.414 2.246 14.605) 22.085 1.702 ( -26.241 4.797 -0.692) 26.684 2.215 ( -10.688 3.490 8.969) 14.383 2.749 ( -4.611 -2.765 -1.324) 5.537 3.126 ( -4.550 0.972 7.997) 9.252 3.236 ( 1.099 1.110 -0.685) 1.706 3.636 ( 2.138 5.898 -6.346) 8.923 3.762 ( 4.678 5.042 -7.982) 10.536 3.805 ( 3.859 1.264 -4.319) 5.928 4.129 ( -10.893 0.349 -0.622) 10.916 4.268 ( 3.206 -3.829 -2.578) 5.620 4.721 ( 0.283 -2.385 -4.201) 4.839 4.966 ( 8.402 5.399 2.084) 10.202 5.010 ( 1.028 -1.964 -4.566) 5.076 5.463 ( 12.688 -0.937 1.071) 12.768 5.601 ( 2.104 5.862 1.057) 6.318 5.834 ( 0.385 6.201 -14.116) 15.423 6.399 ( 4.183 -5.860 5.454) 9.032 6.517 ( -1.666 -1.084 1.552) 2.522 6.684 ( 6.278 -2.398 -2.968) 7.346 7.327 ( 1.343 -3.408 1.401) 3.921 7.351 ( -4.454 -0.458 -7.543) 8.772 7.477 ( -4.213 1.831 -0.151) 4.597 7.617 ( -4.321 -2.533 -0.116) 5.010 7.778 ( 1.801 2.157 -1.909) 3.397 7.805 ( 0.523 2.320 -2.985) 3.817 8.531 ( 1.854 -4.722 2.256) 5.552 8.797 ( 10.022 -4.205 -8.220) 13.627 9.089 ( -6.675 -3.800 3.068) 8.271 9.218 ( -9.258 1.958 8.218) 12.533 9.571 ( 2.425 -1.996 8.028) 8.620 9.640 ( 1.039 -2.027 -2.928) 3.710 9.864 ( 3.693 -2.656 6.632) 8.042 10.182 ( 6.100 8.560 3.287) 11.013 10.999 ( -1.185 -5.475 2.485) 6.128 11.305 ( -2.648 1.464 4.369) 5.314 11.725 ( 1.330 -2.775 -1.246) 3.320 12.026 ( -3.528 6.027 3.942) 8.019 12.316 ( 0.697 -2.350 2.539) 3.529 12.994 ( 2.576 7.856 5.085) 9.707 13.684 ( -5.270 -1.355 -6.809) 8.716 13.924 ( 6.824 1.550 -2.142) 7.318 14.305 ( -6.747 -9.800 14.250) 18.564 14.726 ( 7.046 7.962 13.593) 17.257 15.302 ( 2.943 -0.198 2.154) 3.652 15.940 ( -10.186 -6.266 -21.607) 24.696 16.707 ( 0.757 9.148 -0.278) 9.184 17.009 ( 0.664 0.302 -3.257) 3.337 ======================= Grid point 142 (73/164) ======================= q-point: (-0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -24.153 5.645 6.513) 25.645 1.409 ( -16.032 5.789 18.761) 25.348 2.082 ( -13.311 10.681 19.705) 26.068 2.659 ( -4.200 -5.176 1.183) 6.770 3.092 ( -3.697 1.341 7.195) 8.199 3.280 ( 4.249 -1.075 -2.123) 4.870 3.636 ( 3.058 5.915 -7.700) 10.180 3.777 ( 3.391 0.542 -5.958) 6.877 3.872 ( 1.146 1.468 -1.195) 2.213 3.979 ( -2.818 6.927 0.454) 7.492 4.313 ( 2.339 -3.993 -1.167) 4.772 4.671 ( -1.491 -4.466 -5.300) 7.090 4.991 ( 3.148 -2.264 -5.008) 6.334 5.153 ( 6.482 5.576 0.921) 8.600 5.547 ( 3.045 -0.668 -2.823) 4.206 5.714 ( 2.729 6.237 -10.832) 12.794 5.934 ( 16.947 2.204 3.913) 17.532 6.398 ( -7.172 -4.566 0.158) 8.504 6.559 ( 3.697 -2.097 5.432) 6.897 6.794 ( 8.525 -2.223 -5.898) 10.602 7.238 ( -1.337 3.205 -2.755) 4.433 7.305 ( -1.150 6.844 -0.982) 7.009 7.461 ( -0.250 -7.155 3.883) 8.144 7.581 ( -1.924 -4.140 3.843) 5.967 7.796 ( 1.722 0.806 -6.138) 6.426 7.820 ( 2.747 1.031 -0.946) 3.083 8.451 ( -11.355 -1.614 3.148) 11.893 8.755 ( -14.190 -1.111 3.231) 14.596 9.058 ( 8.139 -3.446 -9.433) 12.926 9.186 ( 1.950 -1.249 -1.070) 2.551 9.628 ( -0.646 0.027 -2.401) 2.487 9.661 ( 2.785 -1.323 0.593) 3.140 9.963 ( 1.322 -5.837 9.743) 11.435 10.357 ( 9.932 5.754 1.063) 11.528 11.029 ( 1.732 -4.931 4.465) 6.874 11.317 ( 0.503 0.539 6.417) 6.459 11.749 ( 1.560 -0.657 0.509) 1.767 12.026 ( 0.829 4.458 4.450) 6.353 12.334 ( -0.652 -3.992 2.375) 4.691 12.955 ( -9.034 3.600 2.273) 9.987 13.583 ( -1.609 0.096 -4.439) 4.723 14.029 ( 5.125 0.298 -1.006) 5.231 14.246 ( -7.351 -12.745 8.210) 16.849 15.082 ( 17.882 5.103 18.470) 26.209 15.404 ( 2.031 -0.427 3.740) 4.277 15.505 ( -16.081 -1.399 -21.346) 26.762 16.718 ( 0.779 10.436 -0.822) 10.497 17.008 ( 1.179 1.166 -2.758) 3.219 ======================= Grid point 143 (74/164) ======================= q-point: (-0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -6.606 7.990 20.341) 22.830 1.291 ( -10.608 10.908 22.617) 27.259 2.016 ( -10.196 14.144 29.289) 34.086 2.620 ( -1.503 -4.786 3.107) 5.901 3.108 ( -0.098 -0.674 8.391) 8.419 3.354 ( 5.502 -1.903 -4.314) 7.246 3.643 ( 2.598 6.537 -6.952) 9.890 3.762 ( -2.624 -0.684 -2.383) 3.609 3.868 ( 2.670 0.818 0.332) 2.812 4.024 ( 4.012 9.977 0.015) 10.753 4.321 ( -1.193 -4.952 -0.037) 5.094 4.633 ( 1.925 -4.425 -4.908) 6.883 5.022 ( 3.007 -1.406 -4.902) 5.921 5.218 ( 1.651 4.835 -2.590) 5.728 5.627 ( 7.171 -1.689 -4.824) 8.806 5.682 ( 2.515 5.036 -8.244) 9.983 6.128 ( -8.402 -4.692 1.764) 9.783 6.367 ( 11.592 -1.893 2.217) 11.952 6.612 ( -1.198 0.379 1.034) 1.627 6.918 ( 8.731 -1.376 -6.767) 11.132 7.277 ( 2.371 4.244 3.733) 6.129 7.350 ( 6.422 0.194 2.335) 6.837 7.485 ( -0.247 -3.211 4.519) 5.549 7.586 ( -0.017 -2.847 5.569) 6.254 7.783 ( 2.031 -0.971 -7.763) 8.083 7.851 ( 1.999 1.774 -3.810) 4.654 8.226 ( -13.115 0.330 5.726) 14.315 8.447 ( -19.412 1.171 5.418) 20.188 9.159 ( 7.420 -4.131 -9.071) 12.426 9.220 ( 4.562 -1.381 -7.427) 8.825 9.552 ( -4.786 0.219 -3.979) 6.228 9.698 ( 2.174 0.471 -3.688) 4.307 10.047 ( 0.786 -2.085 8.066) 8.368 10.505 ( 5.014 2.879 -3.778) 6.906 11.109 ( 2.329 -5.917 5.603) 8.475 11.419 ( 5.156 -4.532 6.044) 9.146 11.809 ( 3.998 1.442 3.158) 5.295 12.109 ( 4.099 3.317 4.120) 6.692 12.323 ( -1.672 -4.910 1.783) 5.485 12.753 ( -10.577 2.123 -1.086) 10.842 13.484 ( -11.639 -10.783 3.852) 16.327 14.086 ( -0.291 -2.562 -2.175) 3.373 14.167 ( -2.250 -2.913 1.641) 4.030 14.797 ( -26.954 10.229 -22.244) 36.413 15.563 ( 5.148 0.212 10.504) 11.700 15.727 ( 25.493 -5.760 17.890) 31.672 16.731 ( 2.202 11.960 -2.513) 12.418 17.004 ( 0.333 1.559 -3.797) 4.118 ======================= Grid point 144 (75/164) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 10.726 15.782 14.290) 23.839 1.666 ( 0.175 16.632 18.868) 25.152 2.339 ( 1.616 5.196 15.595) 16.517 2.525 ( 0.490 -6.887 8.181) 10.705 3.144 ( -0.048 0.455 4.001) 4.027 3.345 ( 3.048 -4.100 -4.480) 6.795 3.676 ( -6.214 2.294 5.041) 8.324 3.858 ( 5.316 6.862 -5.339) 10.191 3.979 ( 5.286 1.190 2.599) 6.009 4.151 ( -3.520 -4.763 4.560) 7.475 4.290 ( -1.159 10.351 -4.225) 11.240 4.608 ( 3.562 -2.175 2.803) 5.027 5.034 ( 7.027 -2.213 -4.305) 8.533 5.299 ( -4.029 6.257 -5.459) 9.230 5.614 ( 1.239 -2.773 -8.375) 8.909 5.770 ( 2.019 -2.480 2.375) 3.983 5.797 ( -4.700 -5.598 -2.793) 7.825 6.568 ( 6.057 1.251 3.267) 6.994 6.608 ( -1.328 3.177 -3.872) 5.181 6.980 ( 6.229 -2.147 -6.951) 9.578 7.157 ( -5.221 -6.267 -0.239) 8.160 7.297 ( -1.500 -6.680 0.303) 6.853 7.617 ( -3.120 2.485 0.943) 4.099 7.688 ( 5.044 -2.565 -2.698) 6.269 7.807 ( 5.154 4.072 1.662) 6.775 7.959 ( 7.700 3.140 -1.727) 8.493 8.089 ( -7.331 -1.454 4.021) 8.487 8.213 ( -11.570 3.859 11.410) 16.701 9.127 ( 3.896 -1.702 -6.039) 7.386 9.254 ( 6.690 -0.479 -9.687) 11.783 9.451 ( -5.482 1.800 -4.126) 7.093 9.688 ( 3.151 -3.252 -6.011) 7.526 10.128 ( 0.245 1.220 15.239) 15.290 10.576 ( -4.590 5.973 -3.104) 8.147 11.013 ( -2.311 -6.949 4.791) 8.751 11.291 ( 1.176 -10.969 1.033) 11.080 12.038 ( 4.540 5.743 5.939) 9.427 12.211 ( -2.714 1.769 2.294) 3.970 12.301 ( 5.827 -0.231 0.435) 5.848 12.634 ( -1.929 -0.565 -2.114) 2.917 12.922 ( -20.589 -4.946 14.195) 25.492 14.124 ( 3.123 4.001 -6.420) 8.184 14.240 ( 3.028 1.400 1.683) 3.736 14.514 ( -14.853 7.585 -10.847) 19.895 15.714 ( 1.189 0.116 12.773) 12.829 16.047 ( 14.079 -4.987 11.008) 18.554 16.934 ( 3.566 3.913 -5.267) 7.468 17.000 ( -1.603 2.155 -7.071) 7.564 ======================= Grid point 145 (76/164) ======================= q-point: ( 0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 6.412 16.888 11.880) 21.620 1.882 ( 9.359 11.043 17.556) 22.754 2.497 ( 4.428 2.585 10.767) 11.926 2.606 ( 2.110 -5.227 8.363) 10.086 3.156 ( -2.085 -0.394 3.798) 4.351 3.369 ( 3.557 -4.920 -6.202) 8.679 3.616 ( -3.516 1.937 3.888) 5.588 3.868 ( -2.385 3.004 -2.482) 4.569 4.029 ( -1.883 1.463 1.607) 2.875 4.155 ( 4.067 5.838 1.632) 7.300 4.297 ( 3.149 2.635 -1.296) 4.306 4.696 ( 2.846 -2.005 3.457) 4.907 5.135 ( 0.153 5.380 -3.998) 6.705 5.153 ( -2.083 -0.047 -3.474) 4.051 5.580 ( 1.476 -1.863 -6.130) 6.575 5.692 ( -0.702 -5.511 -2.637) 6.149 5.910 ( 5.672 -2.414 3.022) 6.865 6.496 ( -7.259 4.974 -3.628) 9.518 6.640 ( 1.284 2.941 -1.319) 3.469 6.995 ( -0.848 -1.197 -7.044) 7.196 7.053 ( -6.301 -7.402 0.533) 9.735 7.270 ( -0.663 -8.216 0.838) 8.285 7.526 ( -3.726 -1.835 -1.371) 4.374 7.744 ( 2.298 -1.122 -2.425) 3.524 7.807 ( -5.452 -2.254 -0.709) 5.942 7.923 ( -1.303 -0.551 -1.260) 1.895 8.177 ( 8.594 2.805 5.764) 10.722 8.308 ( 6.926 5.560 9.925) 13.318 9.141 ( 0.182 -0.107 -2.441) 2.451 9.284 ( 2.505 2.210 -9.726) 10.283 9.350 ( -0.885 -0.249 -1.560) 1.811 9.709 ( 4.177 -2.340 -8.182) 9.480 10.181 ( -4.149 4.924 10.724) 12.509 10.388 ( -12.695 7.292 -1.582) 14.725 10.991 ( -3.602 -9.891 6.343) 12.290 11.303 ( -0.461 -10.869 1.026) 10.927 12.097 ( -2.983 5.408 3.128) 6.923 12.202 ( 0.330 1.964 1.377) 2.422 12.359 ( -1.763 1.190 6.521) 6.860 12.636 ( 1.786 0.909 -2.696) 3.359 12.812 ( 2.762 0.493 9.244) 9.660 14.091 ( 0.109 6.944 -9.662) 11.899 14.286 ( -4.018 2.628 1.286) 4.970 14.312 ( 1.050 2.133 1.844) 3.009 15.773 ( -3.930 -0.918 11.059) 11.772 16.295 ( 5.566 -3.101 7.395) 9.761 16.916 ( -1.849 2.150 -6.735) 7.308 16.976 ( 5.085 1.718 -6.453) 8.394 ======================= Grid point 146 (77/164) ======================= q-point: ( 0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 5.380 14.700 10.398) 18.792 2.164 ( 6.948 6.839 14.656) 17.602 2.627 ( 5.586 -1.290 0.527) 5.757 2.707 ( 2.175 -2.985 7.187) 8.080 3.111 ( -5.050 -0.499 4.207) 6.592 3.400 ( 3.330 -4.720 -4.732) 7.467 3.588 ( -2.195 4.612 3.478) 6.179 3.783 ( -3.327 -1.777 -0.507) 3.805 4.012 ( 0.399 5.576 -1.838) 5.885 4.264 ( 4.896 5.829 2.159) 7.913 4.335 ( 1.747 1.450 -3.720) 4.359 4.748 ( 0.244 -2.192 2.962) 3.693 4.935 ( -9.390 0.963 -6.288) 11.342 5.221 ( 2.557 7.245 -0.279) 7.688 5.588 ( 2.844 0.381 -5.286) 6.015 5.718 ( 3.811 -7.321 -0.246) 8.257 5.984 ( -1.511 -1.819 3.164) 3.950 6.339 ( -5.187 4.747 -1.447) 7.178 6.618 ( -0.536 4.463 -7.034) 8.347 6.838 ( -9.266 -1.796 -7.422) 12.007 6.933 ( -6.484 -7.883 3.820) 10.898 7.289 ( 1.276 -7.808 -0.153) 7.913 7.480 ( -0.686 -1.755 -0.792) 2.044 7.712 ( 1.326 -4.841 -3.232) 5.970 7.794 ( 0.590 -2.983 1.522) 3.400 7.961 ( 6.139 -3.384 -2.480) 7.436 8.342 ( 4.617 4.027 2.979) 6.812 8.451 ( 2.088 5.016 1.496) 5.636 9.107 ( -2.579 0.762 2.127) 3.428 9.272 ( 0.749 1.541 1.317) 2.161 9.378 ( 5.662 0.823 -7.048) 9.078 9.723 ( 1.696 -2.359 -5.929) 6.602 10.066 ( -16.492 1.494 8.470) 18.600 10.191 ( -4.496 12.813 2.379) 13.786 10.972 ( -2.941 -10.808 5.888) 12.654 11.290 ( -1.117 -9.911 -0.513) 9.987 11.993 ( -8.092 4.275 2.959) 9.618 12.251 ( 2.691 4.415 4.318) 6.736 12.391 ( 0.144 3.551 8.494) 9.207 12.614 ( -1.361 3.214 -5.804) 6.773 13.051 ( 15.000 1.571 2.455) 15.280 14.061 ( 2.159 3.916 -4.659) 6.458 14.255 ( -0.546 2.178 2.676) 3.493 14.355 ( 0.299 1.417 3.501) 3.789 15.714 ( -8.223 -1.745 6.020) 10.339 16.379 ( -0.362 -1.366 4.270) 4.498 16.851 ( -0.331 3.758 -5.682) 6.821 17.026 ( 4.381 -0.431 -6.313) 7.696 ======================= Grid point 147 (78/164) ======================= q-point: ( 0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.591 10.794 7.690) 13.266 2.299 ( -0.589 3.284 7.912) 8.587 2.713 ( 1.907 -0.346 -0.938) 2.154 2.789 ( 4.429 -2.900 1.385) 5.472 3.055 ( -4.319 0.439 7.773) 8.903 3.409 ( 0.161 -4.174 -2.958) 5.118 3.583 ( -0.525 4.356 3.148) 5.400 3.765 ( 1.767 3.912 -1.825) 4.665 4.016 ( 2.040 4.097 -4.353) 6.316 4.287 ( -1.877 0.222 -4.903) 5.255 4.369 ( 4.019 3.540 0.459) 5.376 4.717 ( -8.301 -5.084 -4.506) 10.726 4.760 ( -0.700 2.869 0.708) 3.037 5.227 ( -1.299 9.552 -1.834) 9.813 5.574 ( -1.794 2.845 -4.726) 5.800 5.794 ( 0.936 -6.827 4.655) 8.316 5.914 ( -3.127 -1.225 -0.764) 3.444 6.303 ( 0.379 2.855 -2.001) 3.507 6.535 ( -2.712 3.054 -5.796) 7.090 6.612 ( -7.067 -4.244 -7.668) 11.258 6.900 ( -0.697 -6.688 5.712) 8.823 7.305 ( 1.405 -3.168 -1.097) 3.635 7.474 ( -0.410 -3.248 1.308) 3.526 7.763 ( 5.659 -1.959 -4.581) 7.540 7.847 ( 3.972 -8.633 2.858) 9.924 8.090 ( 8.512 -2.665 -3.241) 9.490 8.364 ( -2.133 4.349 -3.585) 6.027 8.402 ( -4.544 4.266 -5.629) 8.398 9.085 ( -1.927 -0.997 4.601) 5.087 9.331 ( 0.958 0.350 6.883) 6.958 9.470 ( 9.134 3.830 -4.997) 11.094 9.655 ( -8.189 -1.403 3.059) 8.854 9.832 ( -11.857 -1.819 6.345) 13.571 10.175 ( 0.024 13.129 3.563) 13.604 10.953 ( -2.688 -10.382 3.905) 11.413 11.256 ( -1.277 -9.466 -2.368) 9.840 11.883 ( -5.517 4.734 3.489) 8.064 12.310 ( -2.340 5.690 9.526) 11.340 12.469 ( 0.143 5.559 -3.509) 6.576 12.555 ( 3.961 2.850 0.858) 4.954 13.350 ( 15.247 2.678 -0.940) 15.509 14.062 ( -0.447 -0.896 -3.564) 3.702 14.310 ( 3.124 3.105 5.213) 6.825 14.371 ( -1.201 1.492 5.558) 5.879 15.565 ( -9.322 -1.691 0.699) 9.500 16.353 ( -3.520 -1.872 -0.143) 3.989 16.829 ( 1.349 5.605 -4.116) 7.083 17.047 ( 2.200 -1.339 -5.883) 6.422 ======================= Grid point 148 (79/164) ======================= q-point: (-0.56 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -8.850 5.667 7.026) 12.641 2.304 ( -1.503 2.582 1.328) 3.269 2.626 ( -9.762 0.067 -3.791) 10.472 2.864 ( 1.611 -1.279 -1.202) 2.382 3.074 ( -0.584 1.264 10.652) 10.742 3.370 ( -2.183 -2.434 -2.269) 3.980 3.622 ( 2.685 3.435 2.817) 5.191 3.790 ( 2.413 7.969 -4.025) 9.248 3.997 ( -0.385 4.185 -8.778) 9.732 4.219 ( -1.028 -0.779 -4.822) 4.991 4.472 ( 6.078 -1.463 1.206) 6.367 4.538 ( -6.313 -3.697 -2.331) 7.678 4.787 ( 2.424 4.444 1.995) 5.441 5.151 ( -3.997 8.206 -3.484) 9.770 5.456 ( -7.146 2.907 -1.873) 7.939 5.778 ( -2.735 2.579 0.563) 3.801 5.935 ( 4.062 -7.954 -1.029) 8.990 6.250 ( -1.937 1.767 -9.347) 9.708 6.463 ( 0.025 -0.892 -3.044) 3.172 6.536 ( -0.066 -1.686 0.636) 1.804 6.961 ( 2.766 -6.920 5.116) 9.039 7.332 ( 2.046 -0.636 -1.884) 2.853 7.487 ( 0.296 -5.501 3.712) 6.643 7.827 ( 3.836 1.552 -4.405) 6.043 7.974 ( 5.723 -9.463 1.082) 11.112 8.133 ( -1.407 4.937 -8.320) 9.776 8.222 ( -8.595 4.922 -8.595) 13.114 8.350 ( 7.640 -3.526 -3.565) 9.139 9.102 ( -1.193 -2.231 7.308) 7.734 9.370 ( 0.157 -2.219 2.639) 3.451 9.503 ( -11.645 1.224 13.791) 18.092 9.646 ( 7.940 3.844 -0.983) 8.876 9.688 ( -6.259 -3.829 4.011) 8.362 10.217 ( 1.256 11.228 3.432) 11.808 10.925 ( -2.212 -8.583 1.785) 9.042 11.217 ( -0.541 -9.502 -3.578) 10.167 11.831 ( -2.776 5.781 3.440) 7.278 12.294 ( -6.083 5.685 8.994) 12.257 12.365 ( -3.448 3.464 -5.299) 7.208 12.760 ( 11.271 5.283 5.124) 13.461 13.599 ( 12.347 2.961 -3.325) 13.125 13.988 ( -3.987 -2.557 -4.867) 6.791 14.329 ( -5.226 0.315 9.040) 10.447 14.480 ( 6.121 3.416 7.570) 10.317 15.395 ( -7.294 -1.145 -2.650) 7.845 16.252 ( -4.951 -2.974 -5.792) 8.180 16.838 ( 1.964 6.402 -2.965) 7.324 17.035 ( 0.772 -1.391 -5.045) 5.290 ======================= Grid point 149 (80/164) ======================= q-point: (-0.44 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -11.855 4.584 8.511) 15.297 2.235 ( -11.134 3.910 0.739) 11.823 2.336 ( -11.338 -1.063 -6.796) 13.262 2.812 ( -5.456 -3.260 -2.031) 6.673 3.139 ( -0.440 1.383 8.517) 8.640 3.310 ( -2.468 0.696 -0.990) 2.749 3.701 ( 2.955 3.317 0.285) 4.451 3.815 ( 4.165 4.310 -5.568) 8.181 3.909 ( -0.438 5.465 -9.061) 10.590 4.177 ( -0.370 -1.303 -4.344) 4.551 4.356 ( -8.621 0.412 1.781) 8.812 4.672 ( 5.917 -1.531 1.867) 6.390 4.879 ( 6.257 6.110 3.801) 9.536 5.077 ( -1.201 4.463 -3.241) 5.645 5.338 ( -0.953 1.053 -2.721) 3.069 5.733 ( -1.198 5.171 -1.517) 5.521 6.009 ( 3.781 -2.039 -3.113) 5.305 6.165 ( 1.414 -1.736 -7.781) 8.097 6.490 ( 2.658 -1.199 -1.388) 3.230 6.546 ( 0.036 -3.966 1.760) 4.339 7.063 ( 4.218 -7.561 4.641) 9.824 7.336 ( 0.411 -3.481 -4.132) 5.419 7.538 ( 1.335 -3.212 5.427) 6.446 7.822 ( -3.540 3.965 -8.108) 9.695 7.888 ( -4.940 3.145 -3.378) 6.761 7.986 ( -7.860 5.745 -9.606) 13.677 8.236 ( 10.782 -6.188 0.303) 12.435 8.523 ( 12.034 -4.978 -5.412) 14.103 9.100 ( -5.113 -2.720 7.184) 9.227 9.378 ( -7.160 0.431 8.946) 11.467 9.415 ( -3.440 -2.936 11.832) 12.667 9.582 ( -2.178 -5.123 -1.575) 5.785 9.814 ( 5.374 5.671 3.069) 8.395 10.260 ( 1.376 7.631 3.044) 8.331 10.904 ( -0.554 -5.269 0.536) 5.325 11.191 ( 0.533 -9.610 -3.716) 10.317 11.815 ( -1.288 7.562 2.786) 8.161 12.211 ( -5.702 4.857 2.555) 7.914 12.304 ( -3.015 1.180 3.218) 4.565 13.002 ( 9.193 6.156 6.116) 12.642 13.742 ( 3.713 0.983 -5.800) 6.956 13.886 ( 0.053 -1.101 -5.572) 5.680 14.264 ( -9.607 -1.964 12.580) 15.951 14.655 ( 6.459 4.011 9.050) 11.820 15.283 ( -2.095 -0.602 -2.149) 3.061 16.085 ( -6.671 -3.977 -11.757) 14.091 16.856 ( 1.980 6.195 -2.864) 7.106 17.019 ( 0.908 -0.354 -3.453) 3.588 ======================= Grid point 150 (81/164) ======================= q-point: (-0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -12.914 6.210 10.469) 17.746 1.833 ( -22.528 7.663 -1.790) 23.862 2.233 ( -2.988 -2.387 1.178) 4.001 2.667 ( -7.829 -5.433 -0.749) 9.558 3.156 ( -2.537 1.950 5.161) 6.072 3.275 ( -1.065 1.606 0.667) 2.039 3.725 ( 2.208 2.161 -4.347) 5.333 3.793 ( 0.124 0.438 -7.900) 7.913 3.944 ( 4.148 7.956 -2.149) 9.227 4.124 ( -2.965 -1.098 -0.887) 3.284 4.277 ( -0.284 5.931 1.880) 6.228 4.669 ( -4.877 -2.503 1.869) 5.791 4.983 ( -1.365 -0.070 -4.812) 5.003 5.095 ( 8.189 5.756 2.782) 10.388 5.451 ( 10.007 0.330 -0.587) 10.030 5.746 ( 5.084 7.296 0.572) 8.911 5.980 ( 0.867 6.431 -13.901) 15.341 6.251 ( 6.305 -7.421 4.780) 10.848 6.459 ( -4.576 -4.795 -0.438) 6.643 6.611 ( 6.830 -3.773 -3.281) 8.464 7.170 ( 3.550 -7.722 3.462) 9.177 7.305 ( 0.304 -4.901 -4.635) 6.753 7.574 ( -2.491 3.136 3.449) 5.285 7.621 ( -7.005 4.535 -5.761) 10.140 7.835 ( -2.184 3.937 -4.431) 6.317 7.846 ( -0.315 0.908 -4.007) 4.120 8.417 ( 6.109 -5.384 0.495) 8.158 8.699 ( 9.904 -4.366 -6.255) 12.501 9.015 ( -6.137 -2.881 2.636) 7.274 9.250 ( -10.853 1.083 9.724) 14.612 9.500 ( 2.505 -3.859 10.708) 11.655 9.576 ( 1.715 -3.946 -0.931) 4.402 9.876 ( -0.742 2.853 2.681) 3.985 10.339 ( 5.102 5.908 3.037) 8.376 10.915 ( 1.393 -2.529 0.285) 2.901 11.187 ( 1.262 -9.215 -2.707) 9.687 11.822 ( 0.329 8.720 2.282) 9.019 12.136 ( -4.252 4.139 3.537) 6.908 12.281 ( -2.048 -1.025 3.799) 4.436 13.127 ( -2.209 3.774 5.575) 7.086 13.682 ( -0.975 1.573 -7.393) 7.621 13.928 ( 3.504 -2.001 -2.690) 4.850 14.151 ( -9.381 -3.936 11.305) 15.208 14.865 ( 9.181 5.058 11.303) 15.415 15.297 ( 3.156 -0.214 2.603) 4.096 15.828 ( -10.286 -3.928 -17.282) 20.491 16.873 ( 1.898 5.274 -3.035) 6.375 17.028 ( 2.041 1.718 -2.295) 3.519 ======================= Grid point 151 (82/164) ======================= q-point: (-0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -18.103 10.792 4.872) 21.631 1.616 ( -9.728 12.481 14.953) 21.772 2.210 ( -1.940 -1.224 5.869) 6.301 2.537 ( -6.216 -5.810 3.292) 9.123 3.133 ( -2.664 2.427 3.907) 5.315 3.278 ( 0.792 0.157 0.862) 1.182 3.746 ( 3.616 3.749 -6.282) 8.160 3.776 ( 3.006 -0.314 -3.598) 4.699 3.908 ( -6.895 4.466 2.907) 8.715 4.127 ( 2.764 1.419 -0.623) 3.169 4.321 ( 2.939 7.961 -0.623) 8.509 4.583 ( -4.372 -3.333 1.625) 5.732 4.935 ( 1.626 -2.516 -7.094) 7.701 5.269 ( 7.190 3.966 2.622) 8.620 5.539 ( 1.638 1.271 -2.194) 3.019 5.873 ( 0.488 6.696 -13.039) 14.666 5.995 ( 12.012 3.983 5.011) 13.611 6.270 ( -5.639 -6.990 -3.004) 9.470 6.474 ( 5.877 -5.783 5.200) 9.748 6.741 ( 10.035 -2.324 -5.978) 11.910 7.208 ( 0.685 -6.106 -1.898) 6.431 7.337 ( 3.821 -6.008 1.427) 7.262 7.456 ( -4.485 6.964 -1.398) 8.400 7.573 ( -1.101 5.223 2.055) 5.720 7.799 ( -0.099 -0.193 -6.283) 6.286 7.835 ( 1.724 0.166 0.080) 1.734 8.411 ( -7.766 -2.073 2.513) 8.422 8.728 ( -7.718 -1.085 1.469) 7.931 8.982 ( 5.671 -3.193 -6.383) 9.116 9.162 ( -1.102 -0.850 0.449) 1.462 9.588 ( 1.629 -3.167 -1.483) 3.858 9.639 ( 2.997 -1.633 5.357) 6.352 9.869 ( -2.560 -2.250 10.789) 11.314 10.480 ( 7.377 5.570 1.286) 9.333 10.957 ( 2.283 -2.051 1.087) 3.256 11.203 ( 1.870 -8.513 -1.055) 8.780 11.859 ( 1.666 8.433 2.867) 9.062 12.110 ( -0.802 3.271 4.174) 5.363 12.272 ( -1.714 -1.950 3.325) 4.219 12.994 ( -12.044 -0.014 1.010) 12.086 13.566 ( -12.313 -1.979 2.306) 12.682 13.974 ( 4.470 -3.670 -0.614) 5.816 14.124 ( 0.620 0.193 3.072) 3.140 15.171 ( 13.607 3.280 11.079) 17.851 15.403 ( 0.698 0.308 2.219) 2.346 15.476 ( -9.492 -1.339 -12.255) 15.559 16.889 ( 2.049 4.701 -3.036) 5.960 17.055 ( 2.313 3.150 -3.190) 5.045 ======================= Grid point 152 (83/164) ======================= q-point: (-0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.467 15.874 13.903) 21.152 1.587 ( -5.126 15.947 18.016) 24.600 2.242 ( -0.826 2.814 11.224) 11.600 2.489 ( -2.719 -6.546 7.370) 10.225 3.123 ( -1.040 1.982 4.034) 4.613 3.311 ( 2.457 -2.122 -1.059) 3.415 3.774 ( -4.497 2.161 3.178) 5.916 3.792 ( 2.512 7.590 -5.352) 9.621 3.859 ( 4.953 -0.777 1.377) 5.199 4.162 ( 0.113 -2.134 1.544) 2.636 4.341 ( -0.033 9.933 -2.897) 10.347 4.552 ( 0.115 -2.209 1.858) 2.889 4.953 ( 5.213 -3.986 -6.664) 9.353 5.360 ( 1.002 6.637 -1.782) 6.945 5.574 ( 4.881 -2.466 -2.342) 5.949 5.776 ( -1.133 2.807 -9.707) 10.168 5.991 ( -11.014 -7.734 0.035) 13.458 6.368 ( 12.352 2.267 2.172) 12.745 6.596 ( 3.396 -1.735 1.667) 4.162 6.882 ( 9.101 -1.566 -7.499) 11.896 7.219 ( 0.539 -8.046 -1.274) 8.164 7.330 ( -3.445 -1.347 0.749) 3.774 7.517 ( 8.167 -0.286 2.970) 8.695 7.604 ( 2.139 8.460 4.277) 9.718 7.763 ( 1.247 -0.897 -5.793) 5.993 7.875 ( 2.700 0.577 -1.183) 3.004 8.227 ( -11.700 -0.443 4.204) 12.441 8.487 ( -18.243 2.429 6.349) 19.469 9.073 ( 7.188 -3.418 -7.880) 11.200 9.190 ( 5.819 -1.258 -7.779) 9.796 9.563 ( -2.459 0.188 -4.478) 5.112 9.675 ( 1.405 -2.006 -3.004) 3.876 9.981 ( 1.743 -3.677 19.579) 19.997 10.595 ( 3.906 5.342 -1.653) 6.821 11.002 ( 0.784 -3.645 2.698) 4.602 11.245 ( 2.717 -9.255 0.330) 9.651 11.924 ( 2.740 6.989 4.963) 8.999 12.171 ( 4.266 2.305 3.200) 5.810 12.256 ( -2.130 -1.277 2.503) 3.526 12.766 ( -10.137 -0.939 -1.669) 10.317 13.266 ( -22.285 -7.946 10.095) 25.723 14.069 ( 5.707 1.041 -3.111) 6.582 14.174 ( 2.789 1.259 1.194) 3.284 14.951 ( -18.306 4.832 -19.754) 27.362 15.570 ( 5.864 0.507 11.001) 12.477 15.645 ( 16.743 -2.242 14.600) 22.327 16.909 ( 2.457 4.583 -3.682) 6.371 17.055 ( 0.603 3.027 -5.534) 6.336 ======================= Grid point 153 (84/164) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 9.407 11.498 11.804) 18.975 2.029 ( 2.006 16.761 11.572) 20.466 2.280 ( 7.267 -7.168 5.713) 11.697 2.352 ( -0.295 -10.716 10.191) 14.791 3.183 ( -0.179 2.964 0.380) 2.993 3.262 ( 0.504 -3.778 -0.697) 3.875 3.718 ( -10.876 1.142 10.416) 15.103 3.962 ( 4.004 2.623 1.117) 4.916 4.038 ( 7.286 3.114 -1.913) 8.152 4.085 ( -1.558 -1.485 4.992) 5.436 4.459 ( -3.457 5.228 -6.486) 9.020 4.577 ( 2.580 -1.791 7.106) 7.769 5.004 ( 9.213 -0.040 -3.012) 9.693 5.401 ( -8.399 2.297 -3.817) 9.507 5.530 ( 2.106 -3.492 -3.802) 5.575 5.681 ( -4.733 -2.581 -6.483) 8.432 5.751 ( 3.378 -0.872 1.639) 3.855 6.587 ( 6.312 0.417 0.341) 6.335 6.685 ( 2.261 2.970 -2.096) 4.281 6.932 ( 4.151 -1.850 -8.715) 9.829 7.074 ( -1.358 -0.968 -2.355) 2.886 7.165 ( -4.406 -4.833 -1.244) 6.657 7.617 ( 7.164 -1.540 -4.278) 8.485 7.671 ( -8.173 0.648 0.732) 8.232 7.918 ( 2.649 5.525 3.383) 6.999 7.995 ( 7.907 -0.120 0.116) 7.908 8.041 ( -7.959 -2.566 2.092) 8.620 8.290 ( -9.223 2.500 11.536) 14.980 9.108 ( 5.554 -0.344 -6.528) 8.578 9.246 ( 7.570 -0.284 -9.843) 12.421 9.495 ( -5.138 2.324 -5.322) 7.754 9.599 ( 2.749 -3.985 -4.720) 6.761 10.135 ( 1.845 -0.181 24.238) 24.309 10.700 ( -5.042 4.478 -0.125) 6.745 10.907 ( -4.478 -2.768 -0.242) 5.270 11.115 ( 1.903 -5.025 -0.766) 5.428 12.112 ( 4.181 1.189 4.139) 6.002 12.267 ( -0.777 2.756 1.994) 3.489 12.306 ( 3.275 0.120 2.429) 4.080 12.602 ( -0.851 -1.576 -1.277) 2.199 12.868 ( -15.267 -0.823 11.541) 19.156 14.176 ( 3.547 1.192 -3.733) 5.286 14.261 ( 3.043 0.527 1.723) 3.536 14.627 ( -13.581 2.757 -13.426) 19.295 15.715 ( 0.393 -0.015 13.158) 13.164 15.986 ( 13.715 -1.187 11.166) 17.726 16.982 ( 2.575 1.019 -4.128) 4.971 17.036 ( -1.784 0.936 -8.293) 8.534 ======================= Grid point 154 (85/164) ======================= q-point: ( 0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 8.819 9.272 10.488) 16.545 2.143 ( 3.270 13.701 8.741) 16.578 2.441 ( 5.831 -4.977 4.381) 8.830 2.473 ( 4.294 -8.552 11.364) 14.856 3.167 ( -1.108 1.211 -2.761) 3.212 3.274 ( 1.215 -3.266 0.251) 3.494 3.607 ( -6.650 -1.471 7.825) 10.374 3.912 ( -8.329 2.144 3.586) 9.318 4.139 ( 4.547 5.371 1.168) 7.134 4.214 ( 7.757 -0.314 1.231) 7.860 4.359 ( -0.485 1.861 -6.660) 6.932 4.694 ( 2.647 1.049 8.195) 8.676 5.163 ( 3.737 1.348 -0.032) 3.973 5.193 ( -5.514 -0.022 -3.244) 6.397 5.542 ( 3.231 -0.995 -7.488) 8.216 5.588 ( -0.893 -3.512 -3.709) 5.185 5.868 ( 5.310 -1.069 3.858) 6.649 6.615 ( -5.824 5.307 -4.049) 8.859 6.678 ( 2.874 0.267 -3.223) 4.326 6.878 ( -5.370 -5.313 -2.481) 7.951 7.021 ( -1.848 1.060 -4.711) 5.170 7.119 ( 0.314 -5.245 -1.594) 5.491 7.509 ( -7.293 0.006 0.979) 7.359 7.718 ( -1.416 -1.067 -2.606) 3.151 7.776 ( -3.196 -0.658 -1.294) 3.510 7.905 ( -4.774 -0.684 -3.242) 5.811 8.228 ( 10.148 1.498 6.152) 11.962 8.408 ( 7.435 2.969 8.866) 11.946 9.141 ( 0.899 -0.059 -2.058) 2.246 9.317 ( 7.386 0.520 -11.568) 13.735 9.356 ( -5.292 0.900 -2.039) 5.742 9.634 ( 4.088 -3.015 -5.761) 7.680 10.259 ( -6.686 2.057 19.361) 20.586 10.547 ( -8.906 6.110 0.855) 10.834 10.802 ( -5.756 -6.567 0.784) 8.768 11.142 ( 1.410 -4.063 -0.944) 4.403 12.163 ( -2.999 0.954 1.765) 3.609 12.265 ( 0.985 3.133 1.001) 3.433 12.368 ( 0.654 -0.495 5.848) 5.905 12.642 ( 3.700 0.004 -1.681) 4.064 12.824 ( 4.031 0.437 9.952) 10.746 14.178 ( 0.507 1.650 -7.431) 7.629 14.326 ( 1.716 0.845 2.362) 3.039 14.366 ( -6.404 2.074 -3.650) 7.658 15.758 ( -4.780 -0.428 10.856) 11.869 16.253 ( 6.777 -0.919 8.787) 11.135 16.951 ( -1.067 0.917 -7.024) 7.163 17.003 ( 3.322 0.679 -6.238) 7.100 ======================= Grid point 155 (86/164) ======================= q-point: ( 0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 2.871 10.376 7.607) 13.182 2.292 ( 4.529 5.109 8.275) 10.728 2.573 ( 6.904 -2.154 -0.322) 7.239 2.617 ( 3.121 -5.960 9.168) 11.372 3.108 ( -1.843 0.459 -4.096) 4.515 3.294 ( -0.991 -3.747 2.586) 4.659 3.605 ( 3.146 -1.910 2.905) 4.689 3.777 ( -7.232 1.712 3.488) 8.209 4.184 ( 0.434 7.481 -1.758) 7.697 4.328 ( 3.480 -0.264 -2.056) 4.050 4.367 ( 3.415 0.422 -0.613) 3.495 4.747 ( -3.530 1.464 5.730) 6.887 4.963 ( -8.578 1.523 -3.704) 9.467 5.336 ( 5.941 2.124 4.482) 7.739 5.538 ( 2.099 -1.895 -5.129) 5.857 5.608 ( 4.745 -3.302 -6.481) 8.684 5.959 ( 0.355 -0.549 4.087) 4.139 6.453 ( -7.234 5.613 -0.987) 9.210 6.627 ( -3.895 -4.676 -8.809) 10.707 6.789 ( -3.547 -0.144 1.511) 3.858 6.866 ( -10.105 -0.021 -3.468) 10.683 7.151 ( 2.958 -4.152 0.727) 5.150 7.435 ( -1.473 -1.629 0.024) 2.196 7.621 ( 2.252 -2.589 -3.993) 5.265 7.771 ( -3.514 -0.065 -4.526) 5.730 7.907 ( 8.116 -1.504 -2.214) 8.546 8.413 ( 5.206 2.066 3.621) 6.670 8.544 ( 1.621 2.843 0.938) 3.404 9.115 ( -2.955 0.115 1.305) 3.232 9.287 ( -1.416 0.059 3.749) 4.008 9.397 ( 8.965 0.758 -10.776) 14.038 9.655 ( 1.198 -2.523 -4.028) 4.902 10.096 ( -19.553 1.085 13.514) 23.794 10.462 ( -3.012 11.493 3.825) 12.481 10.732 ( -2.881 -10.944 2.903) 11.683 11.148 ( 0.210 -3.383 -2.278) 4.084 12.061 ( -7.121 1.765 2.183) 7.654 12.343 ( 5.184 3.712 3.198) 7.133 12.418 ( 0.191 -0.826 7.689) 7.735 12.655 ( -0.528 0.881 -4.747) 4.857 13.083 ( 15.196 1.040 5.021) 16.038 14.117 ( -0.548 1.224 -7.809) 7.923 14.306 ( 0.145 1.947 2.685) 3.320 14.373 ( 0.092 0.191 3.342) 3.349 15.685 ( -8.435 -0.755 5.695) 10.205 16.359 ( -0.306 -0.459 5.161) 5.190 16.912 ( 0.934 1.617 -4.182) 4.580 17.020 ( 3.307 -0.136 -7.475) 8.175 ======================= Grid point 156 (87/164) ======================= q-point: ( 0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -6.080 5.084 7.057) 10.612 2.378 ( 2.123 4.431 -0.986) 5.012 2.691 ( 1.552 -1.672 1.654) 2.818 2.723 ( 6.275 -2.872 2.474) 7.331 3.080 ( 0.512 2.140 0.875) 2.368 3.267 ( -2.602 -6.134 1.353) 6.799 3.687 ( -1.509 3.591 2.809) 4.803 3.771 ( 9.230 -1.666 -0.035) 9.379 4.149 ( -1.404 5.384 -5.103) 7.550 4.327 ( -2.131 3.439 -1.149) 4.206 4.418 ( 1.350 -0.498 0.583) 1.552 4.593 ( -10.804 -4.014 -2.714) 11.841 4.887 ( -0.505 5.648 2.891) 6.365 5.413 ( -1.093 6.414 1.923) 6.785 5.562 ( 1.383 -2.427 -4.305) 5.132 5.626 ( 1.884 -6.311 -3.597) 7.504 5.932 ( -3.852 1.079 2.080) 4.508 6.372 ( -1.734 4.166 -1.707) 4.824 6.490 ( -4.478 -6.296 -3.749) 8.588 6.594 ( -9.383 1.432 -3.399) 10.082 6.819 ( 1.275 -0.929 1.141) 1.947 7.234 ( 4.437 -2.734 2.826) 5.928 7.411 ( -0.924 -1.933 -3.456) 4.066 7.707 ( 6.084 -1.366 -4.036) 7.428 7.732 ( 5.140 -3.108 -2.860) 6.653 8.058 ( 9.072 -0.534 -2.072) 9.321 8.447 ( -2.495 2.460 -2.797) 4.484 8.483 ( -4.990 2.559 -5.823) 8.085 9.072 ( -2.989 -0.196 4.785) 5.645 9.309 ( 0.099 -1.277 2.337) 2.665 9.539 ( 11.323 1.775 -4.510) 12.316 9.615 ( -3.548 -1.722 -1.089) 4.091 9.811 ( -19.711 0.053 16.357) 25.614 10.447 ( -1.634 11.647 3.540) 12.282 10.718 ( -0.618 -11.048 2.271) 11.296 11.121 ( -0.711 -3.148 -3.885) 5.051 11.965 ( -4.487 2.291 2.757) 5.744 12.408 ( -3.340 2.892 10.055) 10.983 12.533 ( 1.639 0.939 -2.332) 3.001 12.595 ( 4.616 0.870 -0.223) 4.703 13.402 ( 15.516 1.649 0.763) 15.622 14.046 ( -2.223 -0.486 -6.558) 6.942 14.366 ( -0.729 1.665 5.184) 5.493 14.393 ( 2.706 0.509 5.022) 5.727 15.538 ( -8.946 -0.732 0.625) 8.998 16.329 ( -4.281 -0.506 0.178) 4.315 16.921 ( 2.037 2.702 -2.313) 4.099 17.019 ( 1.880 -1.079 -7.264) 7.581 ======================= Grid point 157 (88/164) ======================= q-point: (-0.56 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -10.412 2.654 4.860) 11.793 2.363 ( -1.692 2.586 -4.350) 5.336 2.628 ( -8.249 0.084 -1.621) 8.408 2.815 ( 0.757 -2.477 -2.518) 3.612 3.125 ( 1.339 3.758 5.845) 7.077 3.249 ( 0.818 -6.527 -0.181) 6.581 3.708 ( 2.671 2.609 1.678) 4.094 3.911 ( 1.664 2.692 -1.256) 3.405 4.073 ( -1.275 2.485 -8.645) 9.085 4.249 ( -3.239 2.828 -2.796) 5.129 4.431 ( -5.106 -3.739 2.632) 6.854 4.465 ( 5.702 -0.694 0.518) 5.768 4.929 ( 1.690 5.897 4.905) 7.854 5.327 ( -6.660 7.404 -2.777) 10.338 5.452 ( -7.616 -2.868 -3.240) 8.760 5.703 ( 5.823 -6.604 1.145) 8.879 5.884 ( -1.141 1.647 -2.473) 3.183 6.295 ( -1.434 1.861 -8.055) 8.390 6.444 ( -1.018 -1.251 1.268) 2.052 6.485 ( -1.996 -2.001 0.186) 2.833 6.873 ( 3.450 -1.345 1.150) 3.878 7.324 ( 0.527 -0.230 -3.430) 3.477 7.373 ( 2.449 -3.750 2.289) 5.030 7.827 ( 8.602 -3.536 0.691) 9.326 7.840 ( 6.270 -0.068 -5.294) 8.206 8.212 ( 7.167 1.311 -4.220) 8.420 8.300 ( -7.518 1.701 -8.580) 11.534 8.323 ( -4.397 1.121 -6.554) 7.972 9.073 ( -2.103 -0.494 7.878) 8.169 9.314 ( 0.233 -1.978 -0.179) 2.000 9.521 ( -7.343 0.519 5.272) 9.055 9.577 ( -11.216 -3.113 9.074) 14.759 9.759 ( 8.051 3.115 5.327) 10.144 10.423 ( -3.576 7.135 2.861) 8.478 10.746 ( 2.557 -6.939 0.923) 7.453 11.076 ( -0.555 -3.327 -5.104) 6.118 11.932 ( -1.260 2.862 3.183) 4.462 12.385 ( -6.333 2.440 9.882) 11.988 12.411 ( -5.337 0.916 -5.580) 7.776 12.832 ( 12.309 1.574 5.566) 13.600 13.661 ( 12.308 2.161 -2.820) 12.811 13.938 ( -4.082 -1.665 -7.138) 8.390 14.335 ( -6.438 0.164 8.855) 10.949 14.537 ( 6.582 1.609 6.530) 9.410 15.376 ( -6.845 -0.496 -2.479) 7.297 16.213 ( -5.986 -0.858 -5.442) 8.135 16.945 ( 2.005 3.644 -3.164) 5.226 17.002 ( 1.162 -1.868 -4.727) 5.214 ======================= Grid point 158 (89/164) ======================= q-point: (-0.44 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -9.322 2.937 4.993) 10.976 2.264 ( -6.002 -0.079 -2.630) 6.553 2.367 ( -15.846 2.619 -5.144) 16.864 2.710 ( -7.677 -4.521 -3.968) 9.753 3.190 ( 0.996 3.423 4.603) 5.822 3.272 ( 0.795 -3.613 -0.082) 3.700 3.767 ( 1.641 2.168 -2.063) 3.413 3.841 ( -4.070 -0.425 -2.201) 4.647 4.029 ( 3.484 3.865 -5.365) 7.474 4.182 ( -0.503 0.778 -7.520) 7.577 4.387 ( -3.265 1.742 6.556) 7.528 4.636 ( 4.330 -1.433 5.868) 7.432 5.016 ( 4.206 5.102 5.640) 8.691 5.178 ( -6.431 3.466 -3.820) 8.244 5.327 ( 1.307 -1.082 -4.350) 4.670 5.833 ( 2.704 2.481 0.891) 3.777 5.878 ( 6.065 -4.810 0.342) 7.748 6.225 ( 0.291 3.837 -11.246) 11.886 6.433 ( -3.456 -5.461 0.406) 6.475 6.470 ( 2.049 -0.485 0.314) 2.128 6.961 ( 4.726 -1.882 1.484) 5.299 7.259 ( -1.643 -2.824 -6.026) 6.855 7.488 ( 4.323 -1.222 5.542) 7.134 7.870 ( 0.813 0.836 -6.512) 6.616 7.933 ( -3.603 0.805 0.218) 3.699 8.092 ( -7.590 3.320 -8.619) 11.955 8.162 ( 6.406 -1.208 -7.547) 9.973 8.440 ( 11.949 -2.219 -3.502) 12.648 9.061 ( -5.429 -0.875 7.110) 8.988 9.338 ( 1.495 -1.785 3.158) 3.924 9.407 ( -12.576 0.432 16.976) 21.131 9.487 ( -1.090 -2.906 -0.541) 3.151 9.920 ( 4.423 3.210 3.003) 6.235 10.375 ( -1.965 2.853 2.582) 4.321 10.815 ( 3.932 -2.660 -0.002) 4.747 11.037 ( 0.399 -3.930 -5.450) 6.731 11.950 ( 0.601 3.945 3.150) 5.084 12.274 ( -4.779 0.984 -3.253) 5.864 12.330 ( -6.714 1.082 8.587) 10.954 13.083 ( 8.171 1.699 7.413) 11.163 13.780 ( -0.051 2.183 -8.296) 8.579 13.852 ( 4.644 -1.911 -5.702) 7.597 14.237 ( -11.495 -0.616 11.975) 16.610 14.719 ( 7.471 1.700 8.070) 11.128 15.273 ( -1.806 -0.256 -1.819) 2.576 16.030 ( -7.490 -1.243 -11.053) 13.410 16.939 ( 0.918 1.616 -5.071) 5.400 17.021 ( 2.752 0.423 -1.290) 3.069 ======================= Grid point 159 (90/164) ======================= q-point: (-0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -8.423 4.901 4.281) 10.644 2.005 ( -16.326 6.873 0.319) 17.717 2.143 ( -6.140 -4.674 -0.652) 7.744 2.533 ( -7.817 -5.423 -2.005) 9.723 3.209 ( -1.137 2.912 1.836) 3.626 3.269 ( -1.162 -2.020 1.114) 2.583 3.752 ( 0.479 1.010 -3.053) 3.251 3.780 ( -0.108 -1.471 -4.594) 4.825 4.094 ( 2.642 4.904 -1.600) 5.796 4.129 ( 0.182 0.881 -5.202) 5.280 4.414 ( 1.964 4.824 6.192) 8.091 4.612 ( -8.436 -2.473 6.592) 10.988 5.009 ( -5.045 1.817 -5.448) 7.644 5.170 ( 5.449 1.086 3.622) 6.632 5.486 ( 12.021 2.200 -0.590) 12.235 5.885 ( 7.051 4.570 0.236) 8.406 6.050 ( 4.636 -1.394 0.916) 4.927 6.158 ( 2.829 1.784 -7.816) 8.502 6.312 ( -7.319 -7.738 -3.444) 11.194 6.556 ( 7.048 -1.250 -1.944) 7.417 7.064 ( 4.835 -1.872 1.392) 5.368 7.194 ( -0.833 -4.036 -5.602) 6.955 7.594 ( 3.031 0.039 4.460) 5.393 7.749 ( -7.002 5.484 -4.813) 10.113 7.834 ( -3.574 -2.115 -3.330) 5.323 7.926 ( -3.710 3.291 -6.255) 7.983 8.321 ( 9.351 -2.970 -3.651) 10.469 8.634 ( 10.039 -1.511 -3.071) 10.606 8.973 ( -6.032 -0.984 2.510) 6.607 9.265 ( -10.991 0.371 9.676) 14.648 9.436 ( 2.362 -1.652 11.914) 12.257 9.500 ( 1.892 -2.384 -0.117) 3.046 9.936 ( -3.474 1.897 1.043) 4.093 10.430 ( 5.134 2.438 4.030) 6.967 10.883 ( 3.394 -0.673 -0.943) 3.586 11.024 ( 2.018 -4.669 -4.687) 6.916 11.986 ( 0.788 5.175 2.919) 5.993 12.189 ( -2.990 0.684 -0.033) 3.068 12.266 ( -4.962 -0.283 6.205) 7.951 13.162 ( -6.043 0.295 5.448) 8.142 13.746 ( 2.441 3.888 -6.394) 7.872 13.850 ( -3.943 -4.331 -1.543) 6.057 14.120 ( -4.858 -0.134 7.340) 8.803 14.939 ( 9.629 1.794 9.808) 13.861 15.294 ( 3.344 -0.089 2.929) 4.447 15.774 ( -10.035 -1.222 -15.642) 18.624 16.929 ( 1.323 0.828 -3.727) 4.040 17.072 ( 3.464 1.539 -1.875) 4.229 ======================= Grid point 160 (91/164) ======================= q-point: (-0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -10.259 10.427 2.472) 14.835 1.872 ( -4.679 9.285 12.165) 16.003 2.070 ( -1.588 -8.582 2.691) 9.133 2.405 ( -5.341 -5.769 0.743) 7.897 3.192 ( -1.436 2.960 1.492) 3.612 3.256 ( -0.962 -2.212 1.518) 2.850 3.766 ( 3.157 -0.163 -2.456) 4.003 3.780 ( 2.522 -0.049 -2.015) 3.228 4.046 ( -5.033 5.216 0.939) 7.309 4.138 ( 0.703 1.104 -1.421) 1.932 4.471 ( -3.764 1.884 4.475) 6.144 4.554 ( 2.053 1.757 4.807) 5.515 4.901 ( -1.396 -0.542 -7.501) 7.649 5.300 ( 5.838 -0.175 3.193) 6.657 5.600 ( 1.338 2.827 -1.000) 3.283 5.961 ( -4.655 3.038 -11.068) 12.385 6.052 ( -8.388 -3.390 1.739) 9.213 6.181 ( 15.113 2.722 -3.791) 15.817 6.341 ( 8.739 -5.800 4.297) 11.335 6.706 ( 10.933 -0.892 -5.023) 12.065 7.115 ( 0.436 -1.324 -3.798) 4.046 7.195 ( 3.847 -5.557 0.085) 6.759 7.605 ( -4.179 5.870 -4.228) 8.354 7.663 ( 1.952 1.428 1.900) 3.076 7.773 ( -1.355 -2.208 0.223) 2.600 7.859 ( 0.236 1.951 -3.993) 4.450 8.368 ( -4.383 -1.566 0.447) 4.676 8.717 ( -3.088 -0.073 1.780) 3.565 8.935 ( 4.080 -1.123 -4.972) 6.529 9.151 ( -3.382 -0.211 1.538) 3.721 9.530 ( 1.856 -1.754 -0.970) 2.732 9.592 ( 4.332 -1.779 11.058) 12.008 9.858 ( -5.699 0.275 5.990) 8.273 10.581 ( 7.161 3.280 3.303) 8.541 10.929 ( 2.181 -0.770 -0.757) 2.433 11.048 ( 3.179 -4.553 -3.391) 6.507 12.014 ( -0.410 4.645 3.831) 6.035 12.162 ( -0.349 1.619 2.273) 2.813 12.238 ( -1.479 -1.378 3.418) 3.971 12.977 ( -13.174 -0.829 0.201) 13.202 13.521 ( -20.814 -1.448 6.539) 21.865 13.942 ( 10.430 -0.139 -3.362) 10.959 14.140 ( 2.058 0.585 1.411) 2.563 15.220 ( 11.907 1.202 8.499) 14.678 15.415 ( 2.963 0.684 5.170) 5.998 15.450 ( -9.426 -1.018 -12.180) 15.435 16.939 ( 1.914 0.806 -2.703) 3.409 17.114 ( 2.702 1.685 -3.983) 5.100 ======================= Grid point 161 (92/164) ======================= q-point: (-0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.489 12.884 9.838) 16.278 1.919 ( -0.291 13.417 14.022) 19.409 2.126 ( 4.168 -9.266 5.571) 11.587 2.340 ( -3.184 -7.808 4.122) 9.385 3.183 ( -0.737 3.378 1.733) 3.867 3.256 ( 0.076 -3.171 0.627) 3.234 3.816 ( -2.383 0.870 5.311) 5.885 3.845 ( 5.453 -0.057 1.151) 5.573 3.961 ( -1.056 5.800 -1.628) 6.116 4.122 ( -2.453 -0.446 1.808) 3.080 4.459 ( 0.406 0.338 4.342) 4.374 4.593 ( -2.185 4.301 0.483) 4.848 4.885 ( 5.958 -1.783 -7.249) 9.551 5.427 ( 5.233 -0.353 1.342) 5.414 5.574 ( -2.899 2.107 -1.837) 4.028 5.789 ( -5.698 -1.068 -6.082) 8.402 5.846 ( -7.888 -4.158 -6.675) 11.139 6.439 ( 8.852 3.106 2.562) 9.725 6.556 ( 10.956 -1.649 1.023) 11.127 6.862 ( 9.160 -0.295 -7.764) 12.011 7.095 ( 0.669 -2.990 -3.926) 4.980 7.243 ( -1.344 -4.027 1.170) 4.404 7.545 ( 2.327 1.425 -4.885) 5.595 7.744 ( 4.151 -0.081 0.694) 4.209 7.764 ( 0.449 4.043 3.568) 5.411 7.887 ( 4.392 0.608 -1.020) 4.550 8.207 ( -11.394 -1.027 2.646) 11.742 8.536 ( -17.266 1.603 7.677) 18.964 9.024 ( 8.453 -1.173 -8.404) 11.978 9.171 ( 6.128 -0.496 -7.276) 9.526 9.548 ( 1.579 -1.027 -2.980) 3.525 9.644 ( -2.017 -0.640 -4.849) 5.290 9.918 ( 1.503 -1.715 24.952) 25.056 10.707 ( 3.552 4.137 1.214) 5.586 10.951 ( -0.054 -1.472 -0.131) 1.479 11.084 ( 2.434 -4.801 -2.044) 5.758 12.034 ( 0.159 2.561 5.064) 5.676 12.213 ( 3.654 1.717 2.520) 4.759 12.251 ( 0.468 0.072 2.452) 2.498 12.732 ( -10.719 -1.442 -1.934) 10.987 13.162 ( -21.901 -2.198 9.760) 24.078 14.095 ( 7.361 0.870 -2.749) 7.906 14.195 ( 2.876 0.548 1.022) 3.101 15.017 ( -15.010 1.503 -18.178) 23.623 15.581 ( 4.629 0.333 11.784) 12.665 15.617 ( 15.251 -0.584 12.604) 19.794 16.960 ( 2.232 0.952 -2.778) 3.688 17.107 ( 0.237 1.346 -6.747) 6.884 ======================= Grid point 189 (93/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -5.094 0.000 23.076) 23.631 1.659 ( 8.455 0.000 21.455) 23.061 2.637 ( -0.280 0.000 -3.260) 3.272 2.644 ( 1.427 0.000 17.088) 17.147 3.264 ( -0.031 0.000 -3.631) 3.631 3.311 ( 0.623 0.000 -3.399) 3.456 3.653 ( 2.817 0.000 9.167) 9.590 3.698 ( -4.110 0.000 8.321) 9.281 3.923 ( 1.675 0.000 4.931) 5.208 4.000 ( 2.640 0.000 -4.175) 4.939 4.307 ( 1.966 0.000 -5.611) 5.945 4.644 ( 7.349 0.000 -3.631) 8.197 4.884 ( -2.648 0.000 -1.871) 3.242 5.079 ( 1.278 0.000 -7.060) 7.175 5.663 ( 1.825 0.000 -0.318) 1.852 5.674 ( 11.783 0.000 -0.684) 11.803 5.939 ( -9.368 0.000 -0.687) 9.393 6.377 ( -4.932 0.000 -10.125) 11.262 6.661 ( 1.356 0.000 2.913) 3.213 6.899 ( 4.825 0.000 -6.209) 7.864 7.403 ( -5.282 0.000 -0.405) 5.297 7.533 ( -0.053 0.000 -7.353) 7.353 7.582 ( -3.761 0.000 2.233) 4.374 7.592 ( 6.140 0.000 -2.631) 6.680 7.791 ( 10.500 0.000 4.220) 11.317 7.834 ( 2.530 0.000 3.439) 4.270 8.296 ( -10.466 0.000 9.820) 14.352 8.364 ( -0.568 0.000 12.824) 12.837 9.063 ( -0.060 0.000 -8.451) 8.451 9.143 ( 12.008 0.000 -7.238) 14.020 9.332 ( -8.009 0.000 -3.029) 8.562 9.435 ( -4.048 0.000 -8.597) 9.502 10.133 ( 1.043 0.000 1.972) 2.230 10.316 ( -4.108 0.000 -4.984) 6.459 11.363 ( -0.099 0.000 6.022) 6.023 11.696 ( 3.548 0.000 -0.375) 3.568 11.969 ( 2.704 0.000 3.892) 4.739 12.225 ( 1.771 0.000 3.198) 3.656 12.414 ( 4.415 0.000 -1.611) 4.700 12.436 ( -8.038 0.000 -4.911) 9.419 13.460 ( -33.764 0.000 3.759) 33.973 13.638 ( 8.656 0.000 -2.412) 8.985 14.233 ( 3.335 0.000 2.065) 3.922 14.305 ( -3.784 0.000 0.554) 3.825 15.983 ( 1.664 0.000 13.718) 13.819 16.531 ( -4.861 0.000 2.464) 5.450 16.534 ( 19.162 0.000 -1.557) 19.225 16.816 ( -2.699 0.000 -7.074) 7.571 ======================= Grid point 190 (94/164) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.366 0.000 20.434) 20.437 1.998 ( 12.403 0.000 16.732) 20.828 2.639 ( 3.706 0.000 -5.759) 6.848 2.761 ( 1.456 0.000 7.760) 7.895 3.240 ( 1.203 0.000 -5.769) 5.893 3.274 ( -2.542 0.000 -1.413) 2.909 3.649 ( -4.898 0.000 5.472) 7.343 3.756 ( -2.745 0.000 15.752) 15.989 3.975 ( -1.117 0.000 -6.301) 6.399 4.015 ( 5.438 0.000 2.478) 5.976 4.320 ( 3.236 0.000 -6.947) 7.664 4.731 ( 4.385 0.000 -5.513) 7.044 4.822 ( -3.598 0.000 0.194) 3.603 5.045 ( 0.338 0.000 -5.736) 5.746 5.556 ( -8.973 0.000 -4.962) 10.254 5.897 ( 10.930 0.000 2.354) 11.181 5.929 ( 4.485 0.000 5.371) 6.997 6.231 ( -1.809 0.000 -13.971) 14.088 6.556 ( -12.375 0.000 3.116) 12.761 6.859 ( -3.749 0.000 -8.821) 9.585 7.277 ( -5.846 0.000 -1.373) 6.006 7.466 ( -1.168 0.000 -6.701) 6.802 7.584 ( 1.101 0.000 2.652) 2.872 7.715 ( 5.256 0.000 1.560) 5.483 7.852 ( 1.437 0.000 -1.728) 2.248 7.992 ( 7.795 0.000 -0.450) 7.808 8.301 ( 0.233 0.000 12.099) 12.101 8.454 ( -0.402 0.000 10.954) 10.961 9.040 ( 4.686 0.000 -8.552) 9.752 9.189 ( -5.078 0.000 1.088) 5.194 9.299 ( 0.718 0.000 -11.568) 11.590 9.323 ( 6.829 0.000 -0.523) 6.849 10.151 ( -0.949 0.000 2.148) 2.348 10.169 ( -8.372 0.000 -2.060) 8.621 11.380 ( -2.141 0.000 6.271) 6.626 11.729 ( 2.111 0.000 -4.232) 4.730 11.992 ( -3.235 0.000 3.976) 5.126 12.196 ( -5.997 0.000 1.186) 6.113 12.353 ( 2.128 0.000 -5.019) 5.452 12.509 ( 2.105 0.000 3.496) 4.081 13.018 ( -15.394 0.000 10.402) 18.579 13.812 ( 10.023 0.000 2.067) 10.234 14.251 ( -2.249 0.000 0.153) 2.255 14.311 ( 3.139 0.000 2.392) 3.947 16.023 ( -6.766 0.000 9.178) 11.402 16.486 ( -1.174 0.000 3.785) 3.963 16.668 ( -2.968 0.000 -10.877) 11.275 16.817 ( 9.787 0.000 -3.585) 10.423 ======================= Grid point 191 (95/164) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 2.806 0.000 15.765) 16.012 2.314 ( 9.673 0.000 11.761) 15.228 2.687 ( 5.445 0.000 -7.246) 9.064 2.801 ( -0.710 0.000 1.883) 2.012 3.213 ( -3.395 0.000 1.531) 3.724 3.237 ( 2.860 0.000 -6.087) 6.725 3.584 ( -5.940 0.000 6.418) 8.745 3.761 ( -6.467 0.000 11.515) 13.207 3.888 ( -2.730 0.000 -7.350) 7.841 4.154 ( 7.483 0.000 1.037) 7.554 4.310 ( 1.182 0.000 -8.929) 9.007 4.721 ( 0.359 0.000 -9.414) 9.421 4.744 ( -5.161 0.000 1.898) 5.499 5.033 ( 1.592 0.000 -3.371) 3.728 5.355 ( -7.424 0.000 -6.527) 9.885 6.055 ( 0.531 0.000 7.422) 7.440 6.100 ( 4.460 0.000 3.153) 5.462 6.122 ( 4.713 0.000 -16.012) 16.692 6.342 ( -9.339 0.000 5.310) 10.744 6.666 ( -8.019 0.000 -11.348) 13.895 7.199 ( -2.294 0.000 2.333) 3.272 7.402 ( -1.667 0.000 -3.329) 3.723 7.630 ( 1.229 0.000 2.979) 3.222 7.739 ( -1.520 0.000 1.217) 1.947 7.966 ( 9.510 0.000 -3.131) 10.012 8.047 ( 0.745 0.000 -7.101) 7.140 8.343 ( -3.388 0.000 4.765) 5.847 8.449 ( -4.747 0.000 2.788) 5.505 9.134 ( 8.854 0.000 -4.241) 9.817 9.199 ( 3.370 0.000 7.518) 8.239 9.260 ( 2.544 0.000 -1.833) 3.136 9.478 ( 8.551 0.000 -1.744) 8.727 9.991 ( -10.068 0.000 2.436) 10.359 10.122 ( -3.541 0.000 2.072) 4.103 11.377 ( -2.765 0.000 6.328) 6.906 11.736 ( 2.121 0.000 -5.190) 5.606 11.907 ( -7.550 0.000 2.720) 8.025 12.070 ( -6.069 0.000 -3.777) 7.149 12.389 ( 3.648 0.000 -0.935) 3.766 12.486 ( -9.156 0.000 16.489) 18.861 13.039 ( 9.256 0.000 1.525) 9.381 14.026 ( 8.363 0.000 4.532) 9.512 14.232 ( 0.970 0.000 1.469) 1.760 14.379 ( 2.087 0.000 3.132) 3.763 15.861 ( -13.151 0.000 2.038) 13.308 16.507 ( -4.811 0.000 -12.457) 13.354 16.531 ( 1.347 0.000 6.192) 6.337 16.932 ( 5.474 0.000 -5.475) 7.743 ======================= Grid point 192 (96/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 1.601 0.000 12.070) 12.175 2.493 ( 2.340 0.000 7.002) 7.382 2.720 ( 3.097 0.000 -7.884) 8.471 2.746 ( -6.519 0.000 -0.439) 6.534 3.182 ( -1.367 0.000 2.895) 3.202 3.271 ( 5.079 0.000 -5.912) 7.794 3.533 ( -3.970 0.000 7.594) 8.569 3.679 ( -8.289 0.000 6.529) 10.551 3.784 ( -2.452 0.000 -7.827) 8.202 4.250 ( -0.402 0.000 -9.510) 9.519 4.296 ( 7.009 0.000 -0.707) 7.045 4.646 ( -0.217 0.000 -10.778) 10.780 4.679 ( -2.714 0.000 3.050) 4.082 5.038 ( 0.717 0.000 -3.147) 3.227 5.190 ( -5.564 0.000 -5.903) 8.112 5.939 ( -13.403 0.000 6.207) 14.770 6.039 ( 2.027 0.000 -14.900) 15.037 6.213 ( -0.334 0.000 -2.151) 2.177 6.390 ( 4.994 0.000 8.981) 10.276 6.487 ( -0.584 0.000 -6.696) 6.721 7.221 ( 1.877 0.000 4.157) 4.561 7.372 ( -0.419 0.000 1.074) 1.153 7.660 ( -0.062 0.000 1.362) 1.363 7.719 ( -0.574 0.000 -1.337) 1.455 7.939 ( -4.703 0.000 -11.207) 12.154 8.045 ( 0.224 0.000 -9.386) 9.388 8.298 ( -0.243 0.000 3.047) 3.057 8.372 ( -2.447 0.000 -0.915) 2.613 9.270 ( 5.179 0.000 4.636) 6.951 9.347 ( 4.542 0.000 3.918) 5.998 9.386 ( 10.361 0.000 4.096) 11.142 9.618 ( 7.071 0.000 -1.222) 7.175 9.835 ( -9.517 0.000 6.631) 11.600 10.053 ( -5.007 0.000 2.303) 5.511 11.357 ( -3.932 0.000 5.958) 7.139 11.687 ( -8.390 0.000 3.441) 9.068 11.830 ( 3.269 0.000 -6.638) 7.400 11.925 ( -5.384 0.000 -5.708) 7.847 12.445 ( -7.876 0.000 18.353) 19.971 12.485 ( 6.163 0.000 2.123) 6.518 13.266 ( 13.253 0.000 -0.846) 13.280 14.080 ( -2.172 0.000 -2.251) 3.128 14.388 ( 9.044 0.000 10.428) 13.804 14.435 ( 1.137 0.000 4.791) 4.924 15.598 ( -13.481 0.000 -2.612) 13.732 16.325 ( -4.666 0.000 -14.639) 15.365 16.595 ( 0.745 0.000 6.112) 6.157 16.963 ( 2.370 0.000 -5.966) 6.420 ======================= Grid point 193 (97/164) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -3.445 0.000 11.476) 11.982 2.484 ( -13.163 0.000 4.746) 13.993 2.561 ( -5.540 0.000 -1.551) 5.753 2.706 ( 1.698 0.000 -7.651) 7.837 3.186 ( -0.250 0.000 1.130) 1.158 3.337 ( 5.012 0.000 -4.236) 6.562 3.531 ( -1.398 0.000 -0.847) 1.634 3.561 ( -7.815 0.000 11.066) 13.547 3.700 ( -0.554 0.000 -7.833) 7.852 4.190 ( 1.045 0.000 -8.147) 8.214 4.383 ( 1.974 0.000 -2.246) 2.991 4.591 ( 1.732 0.000 -8.554) 8.728 4.701 ( 2.309 0.000 4.125) 4.728 5.010 ( -0.826 0.000 -4.471) 4.547 5.093 ( -0.208 0.000 -1.088) 1.108 5.748 ( -10.463 0.000 6.164) 12.144 5.901 ( -7.466 0.000 -13.243) 15.202 6.182 ( 6.117 0.000 -9.723) 11.488 6.539 ( 3.573 0.000 8.387) 9.117 6.542 ( 4.413 0.000 2.423) 5.035 7.302 ( 3.500 0.000 2.487) 4.294 7.398 ( 1.609 0.000 2.037) 2.596 7.598 ( -5.999 0.000 -7.286) 9.438 7.685 ( -0.842 0.000 -6.274) 6.330 7.797 ( -2.466 0.000 -2.431) 3.463 7.898 ( -6.890 0.000 -4.522) 8.241 8.370 ( 3.557 0.000 -2.843) 4.554 8.380 ( 6.678 0.000 -2.458) 7.116 9.378 ( 1.599 0.000 6.479) 6.673 9.447 ( 1.946 0.000 5.583) 5.912 9.589 ( 6.857 0.000 1.278) 6.976 9.697 ( 1.079 0.000 -2.221) 2.469 9.748 ( -3.617 0.000 10.665) 11.261 9.990 ( -2.345 0.000 2.657) 3.544 11.309 ( -5.278 0.000 5.785) 7.831 11.532 ( -9.836 0.000 5.203) 11.128 11.810 ( -2.329 0.000 -4.756) 5.295 11.882 ( 6.061 0.000 -8.112) 10.126 12.425 ( -6.682 0.000 15.650) 17.017 12.645 ( 8.437 0.000 3.585) 9.167 13.507 ( 12.412 0.000 -0.347) 12.417 13.975 ( -6.159 0.000 -4.646) 7.715 14.503 ( 2.100 0.000 8.059) 8.328 14.613 ( 5.012 0.000 12.016) 13.019 15.358 ( -8.231 0.000 -3.655) 9.006 16.125 ( -5.201 0.000 -17.410) 18.171 16.638 ( -0.238 0.000 5.189) 5.194 16.953 ( 1.051 0.000 -5.618) 5.715 ======================= Grid point 194 (98/164) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -10.333 0.000 13.226) 16.784 2.122 ( -22.429 0.000 1.129) 22.457 2.515 ( -4.266 0.000 6.496) 7.772 2.701 ( 3.027 0.000 -6.279) 6.970 3.182 ( -0.022 0.000 -0.687) 0.687 3.352 ( -4.029 0.000 1.134) 4.186 3.475 ( 2.674 0.000 -3.689) 4.556 3.561 ( -2.384 0.000 6.674) 7.087 3.665 ( 2.202 0.000 -6.426) 6.793 4.189 ( 3.932 0.000 -6.264) 7.396 4.303 ( -8.404 0.000 -1.291) 8.503 4.594 ( 3.381 0.000 -6.123) 6.994 4.807 ( 5.738 0.000 3.705) 6.830 4.956 ( -0.886 0.000 -5.249) 5.323 5.228 ( 12.611 0.000 4.464) 13.378 5.631 ( -6.138 0.000 5.119) 7.993 5.655 ( -7.086 0.000 -14.419) 16.066 6.287 ( 10.109 0.000 -7.672) 12.691 6.622 ( -0.211 0.000 5.701) 5.705 6.637 ( 3.203 0.000 3.898) 5.045 7.344 ( -0.454 0.000 -2.274) 2.318 7.354 ( -6.931 0.000 -7.822) 10.451 7.488 ( 1.846 0.000 0.367) 1.882 7.613 ( -0.097 0.000 -6.495) 6.496 7.790 ( 0.049 0.000 2.451) 2.451 7.792 ( -3.909 0.000 2.025) 4.402 8.452 ( 6.945 0.000 -4.407) 8.225 8.493 ( 9.223 0.000 -8.166) 12.319 9.389 ( -5.591 0.000 6.791) 8.796 9.464 ( -6.415 0.000 6.135) 8.876 9.627 ( -0.344 0.000 2.277) 2.303 9.634 ( -2.803 0.000 -3.092) 4.173 9.892 ( 8.471 0.000 7.530) 11.334 10.009 ( 1.923 0.000 1.100) 2.215 11.244 ( -5.501 0.000 6.148) 8.250 11.413 ( -6.276 0.000 6.201) 8.822 11.789 ( 2.758 0.000 -2.425) 3.672 11.916 ( 2.184 0.000 -6.096) 6.476 12.409 ( -4.193 0.000 10.303) 11.123 12.837 ( 8.534 0.000 4.151) 9.490 13.723 ( 10.187 0.000 0.662) 10.208 13.786 ( -9.563 0.000 -6.700) 11.677 14.652 ( 6.860 0.000 12.812) 14.533 14.688 ( -3.951 0.000 6.137) 7.299 15.293 ( 2.041 0.000 3.027) 3.651 15.873 ( -8.393 0.000 -20.630) 22.272 16.659 ( -1.017 0.000 4.395) 4.511 16.936 ( 0.995 0.000 -4.718) 4.822 ======================= Grid point 195 (99/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -22.019 0.000 8.863) 23.736 1.923 ( -14.656 0.000 15.662) 21.450 2.475 ( -6.382 0.000 11.566) 13.210 2.725 ( 1.954 0.000 -2.126) 2.888 3.188 ( 2.035 0.000 -2.312) 3.080 3.273 ( -4.673 0.000 4.554) 6.525 3.533 ( -1.850 0.000 7.947) 8.160 3.555 ( 4.461 0.000 -6.896) 8.213 3.703 ( 5.294 0.000 -3.369) 6.275 4.113 ( -10.160 0.000 1.156) 10.226 4.242 ( 5.331 0.000 -4.964) 7.284 4.597 ( 0.914 0.000 -7.505) 7.560 4.935 ( 3.000 0.000 -4.309) 5.250 4.942 ( 5.568 0.000 1.638) 5.804 5.470 ( -1.930 0.000 -13.645) 13.780 5.502 ( 4.203 0.000 2.094) 4.695 5.647 ( 11.869 0.000 7.515) 14.048 6.434 ( 10.292 0.000 -7.060) 12.481 6.593 ( -5.608 0.000 0.856) 5.673 6.716 ( 2.282 0.000 3.331) 4.037 7.220 ( -2.363 0.000 0.135) 2.367 7.272 ( -3.677 0.000 -1.301) 3.900 7.540 ( 3.275 0.000 -1.921) 3.796 7.619 ( 3.404 0.000 -4.711) 5.812 7.745 ( -3.199 0.000 3.045) 4.417 7.808 ( -0.400 0.000 3.005) 3.032 8.529 ( 3.269 0.000 -5.067) 6.030 8.619 ( 11.064 0.000 -11.343) 15.845 9.260 ( -16.583 0.000 3.719) 16.995 9.290 ( -8.126 0.000 5.609) 9.874 9.611 ( 0.820 0.000 -2.207) 2.354 9.635 ( -0.267 0.000 0.094) 0.283 10.048 ( 1.664 0.000 -0.026) 1.664 10.109 ( 9.988 0.000 3.529) 10.593 11.204 ( -2.906 0.000 6.498) 7.118 11.392 ( -1.052 0.000 8.109) 8.177 11.869 ( 6.054 0.000 -0.065) 6.054 11.881 ( -2.090 0.000 -2.991) 3.648 12.409 ( -1.375 0.000 4.512) 4.717 12.996 ( 3.691 0.000 4.701) 5.977 13.545 ( -8.763 0.000 -9.300) 12.778 13.897 ( 7.495 0.000 1.107) 7.576 14.599 ( -6.502 0.000 1.069) 6.589 14.954 ( 14.411 0.000 14.572) 20.495 15.427 ( 5.961 0.000 9.723) 11.405 15.512 ( -14.324 0.000 -20.896) 25.335 16.661 ( -1.774 0.000 4.008) 4.383 16.928 ( 1.306 0.000 -4.066) 4.271 ======================= Grid point 196 (100/164) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -15.064 0.000 19.366) 24.536 1.754 ( -15.000 0.000 18.902) 24.131 2.448 ( -6.246 0.000 17.902) 18.961 2.727 ( -1.587 0.000 0.976) 1.863 3.232 ( 4.540 0.000 -3.617) 5.805 3.257 ( -1.720 0.000 7.755) 7.943 3.511 ( -1.794 0.000 2.793) 3.320 3.636 ( 5.053 0.000 -1.651) 5.316 3.809 ( 7.111 0.000 -1.319) 7.233 3.963 ( -7.192 0.000 3.423) 7.965 4.307 ( 4.243 0.000 -3.630) 5.584 4.537 ( 0.109 0.000 -9.035) 9.036 5.003 ( 0.358 0.000 -1.426) 1.470 5.007 ( 6.549 0.000 -4.282) 7.825 5.403 ( 3.858 0.000 -10.510) 11.195 5.522 ( 1.574 0.000 0.658) 1.706 6.050 ( 20.186 0.000 7.243) 21.446 6.429 ( -10.302 0.000 -2.606) 10.627 6.566 ( 7.320 0.000 -6.151) 9.562 6.744 ( 0.676 0.000 -2.749) 2.831 7.260 ( 1.279 0.000 6.955) 7.072 7.280 ( 5.032 0.000 7.810) 9.291 7.578 ( 3.136 0.000 -4.664) 5.621 7.634 ( 1.847 0.000 -7.579) 7.801 7.718 ( -1.624 0.000 4.092) 4.402 7.804 ( -2.567 0.000 2.748) 3.761 8.477 ( -6.010 0.000 -1.315) 6.152 8.735 ( 5.413 0.000 -8.212) 9.835 8.960 ( -12.912 0.000 -0.218) 12.914 9.193 ( -4.134 0.000 0.660) 4.186 9.601 ( -2.820 0.000 -2.318) 3.651 9.602 ( -0.010 0.000 -3.803) 3.803 10.073 ( 1.031 0.000 0.181) 1.047 10.294 ( 8.200 0.000 -1.650) 8.365 11.228 ( 0.695 0.000 6.373) 6.411 11.474 ( 3.132 0.000 8.506) 9.064 11.833 ( -0.642 0.000 -0.440) 0.779 11.999 ( 6.652 0.000 1.673) 6.859 12.407 ( -0.905 0.000 0.808) 1.213 12.951 ( -11.592 0.000 1.838) 11.737 13.427 ( 4.026 0.000 -8.446) 9.356 14.023 ( 5.211 0.000 1.024) 5.311 14.485 ( -5.823 0.000 0.241) 5.828 14.893 ( -24.070 0.000 -21.006) 31.947 15.523 ( 22.312 0.000 14.873) 26.814 15.620 ( 6.051 0.000 12.577) 13.957 16.645 ( -2.859 0.000 3.825) 4.776 16.923 ( 0.911 0.000 -4.402) 4.496 ======================= Grid point 197 (101/164) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -2.723 0.000 24.059) 24.212 1.640 ( -11.306 0.000 22.135) 24.856 2.507 ( -1.867 0.000 21.624) 21.705 2.683 ( -2.842 0.000 -0.215) 2.850 3.278 ( -0.807 0.000 2.852) 2.964 3.292 ( 3.905 0.000 -3.906) 5.523 3.540 ( 1.817 0.000 6.911) 7.146 3.700 ( 1.439 0.000 0.914) 1.705 3.895 ( -3.122 0.000 5.962) 6.730 3.931 ( 6.349 0.000 -1.851) 6.614 4.326 ( 0.424 0.000 -4.247) 4.268 4.538 ( 6.098 0.000 -6.226) 8.715 4.954 ( -2.856 0.000 -2.956) 4.110 5.078 ( 4.084 0.000 -6.322) 7.527 5.482 ( 9.778 0.000 -5.064) 11.011 5.587 ( 4.324 0.000 0.552) 4.359 6.179 ( -12.691 0.000 -1.876) 12.828 6.457 ( 15.937 0.000 4.058) 16.446 6.538 ( -4.721 0.000 -7.043) 8.479 6.800 ( 8.322 0.000 -5.870) 10.184 7.383 ( 3.614 0.000 9.364) 10.037 7.471 ( 7.906 0.000 6.441) 10.197 7.584 ( -0.409 0.000 -8.462) 8.472 7.602 ( 3.259 0.000 -3.924) 5.101 7.729 ( -6.481 0.000 1.223) 6.596 7.750 ( 1.978 0.000 4.080) 4.534 8.356 ( -6.330 0.000 6.687) 9.207 8.536 ( -17.792 0.000 4.617) 18.381 8.974 ( 11.585 0.000 -9.812) 15.182 9.128 ( -1.593 0.000 -5.015) 5.262 9.495 ( -6.170 0.000 -3.546) 7.116 9.548 ( -2.136 0.000 -6.537) 6.877 10.098 ( 1.258 0.000 1.178) 1.724 10.372 ( 2.216 0.000 -5.043) 5.509 11.301 ( 1.943 0.000 6.056) 6.360 11.599 ( 4.617 0.000 4.965) 6.780 11.872 ( 3.920 0.000 2.054) 4.426 12.130 ( 5.454 0.000 2.564) 6.026 12.391 ( -0.198 0.000 -1.135) 1.152 12.681 ( -14.276 0.000 -2.268) 14.455 13.509 ( 7.941 0.000 -5.333) 9.566 14.067 ( -10.211 0.000 -4.256) 11.062 14.245 ( -21.036 0.000 -5.789) 21.818 14.385 ( -4.982 0.000 0.492) 5.006 15.818 ( 5.049 0.000 13.920) 14.808 16.082 ( 25.825 0.000 7.069) 26.775 16.602 ( -4.324 0.000 3.337) 5.462 16.893 ( -0.668 0.000 -5.706) 5.745 ======================= Grid point 198 (102/164) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 4.518 3.514 20.438) 21.225 1.821 ( 0.078 10.161 20.694) 23.054 2.575 ( -0.269 -2.431 2.713) 3.652 2.717 ( 1.626 2.634 8.249) 8.810 3.263 ( 0.534 -3.636 -0.572) 3.719 3.287 ( 0.200 1.594 -2.585) 3.043 3.677 ( 3.086 2.162 2.194) 4.360 3.742 ( -4.601 4.434 12.403) 13.953 3.983 ( 2.808 4.013 3.624) 6.093 4.043 ( 0.528 4.758 -3.691) 6.045 4.292 ( 0.102 -1.659 -1.390) 2.166 4.627 ( 7.004 -0.758 -3.039) 7.672 4.925 ( 0.984 3.013 -3.753) 4.912 5.086 ( 0.347 1.114 -6.549) 6.652 5.542 ( 5.571 -4.673 -1.870) 7.508 5.776 ( 2.379 1.859 -2.261) 3.772 5.898 ( -4.940 -2.797 1.297) 5.824 6.414 ( -4.663 2.838 -9.207) 10.704 6.640 ( 2.745 -1.465 2.926) 4.271 6.880 ( 4.922 -1.632 -6.395) 8.233 7.318 ( -5.208 -6.862 -0.586) 8.634 7.447 ( 1.368 -6.730 -3.354) 7.643 7.587 ( -3.825 2.415 1.078) 4.650 7.647 ( 3.032 0.511 -3.233) 4.462 7.790 ( 5.244 1.047 3.480) 6.380 7.862 ( 6.242 2.164 0.995) 6.681 8.273 ( -7.680 -1.751 9.807) 12.579 8.394 ( -3.690 2.541 12.437) 13.219 9.039 ( 0.805 -1.924 -8.446) 8.700 9.085 ( 8.990 -3.611 -7.901) 12.501 9.344 ( -3.523 1.471 -2.968) 4.836 9.523 ( -2.783 4.600 -8.043) 9.675 10.177 ( -0.332 4.788 2.964) 5.641 10.372 ( -3.673 5.029 -4.202) 7.512 11.287 ( -0.220 -6.327 5.690) 8.512 11.570 ( 2.734 -11.068 -1.059) 11.449 12.030 ( 3.003 5.741 6.218) 8.980 12.254 ( -1.552 1.583 3.539) 4.176 12.326 ( 2.557 -3.167 -1.068) 4.209 12.527 ( -2.286 3.525 -5.018) 6.545 13.341 ( -22.219 -7.031 9.217) 25.061 13.773 ( 0.519 8.517 -7.551) 11.395 14.248 ( 3.377 1.286 1.990) 4.126 14.331 ( -4.919 2.264 -0.367) 5.427 15.987 ( 1.071 0.404 13.726) 13.774 16.359 ( 10.149 -7.155 5.155) 13.445 16.701 ( 3.618 6.832 -3.807) 8.618 16.826 ( -2.394 0.866 -7.254) 7.687 ======================= Grid point 199 (103/164) ======================= q-point: ( 0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 1.962 6.460 18.179) 19.392 2.060 ( 10.319 5.491 15.472) 19.391 2.590 ( 2.853 -2.975 -3.482) 5.396 2.795 ( 0.976 1.578 4.599) 4.959 3.218 ( -1.493 -1.864 -4.371) 4.981 3.315 ( 2.053 2.507 -0.247) 3.250 3.674 ( -3.898 2.632 3.936) 6.133 3.778 ( -3.269 2.138 13.472) 14.027 3.989 ( -2.557 1.599 -5.026) 5.861 4.076 ( 4.758 5.128 2.564) 7.451 4.297 ( 1.344 -1.998 -2.753) 3.657 4.717 ( 4.909 -0.576 -4.911) 6.968 4.883 ( -3.450 4.901 -3.431) 6.906 5.052 ( 0.602 1.100 -5.003) 5.158 5.540 ( -4.960 -1.314 -3.651) 6.298 5.780 ( 6.662 -7.193 0.051) 9.804 6.000 ( 6.308 2.351 5.412) 8.638 6.267 ( -3.282 3.199 -11.506) 12.385 6.578 ( -9.193 1.838 1.630) 9.516 6.848 ( -3.309 -0.894 -8.660) 9.314 7.220 ( -4.753 -5.257 0.019) 7.087 7.420 ( -1.227 -5.160 -5.596) 7.710 7.536 ( -0.471 -2.109 2.943) 3.651 7.730 ( 4.134 0.157 0.215) 4.143 7.833 ( 0.772 -1.331 -1.387) 2.072 7.962 ( 4.774 -2.934 -0.126) 5.605 8.303 ( 0.922 0.568 10.509) 10.564 8.445 ( -1.612 0.106 8.953) 9.098 9.037 ( 5.632 -0.217 -9.220) 10.806 9.138 ( 1.534 -1.725 -1.266) 2.632 9.335 ( 0.945 1.116 0.426) 1.523 9.436 ( 3.203 7.428 -9.929) 12.807 10.164 ( -3.995 3.609 2.462) 5.920 10.246 ( -6.697 5.479 -0.438) 8.664 11.297 ( -2.496 -6.964 5.503) 9.220 11.581 ( 0.049 -12.005 -2.892) 12.349 12.060 ( -3.606 5.433 4.905) 8.160 12.211 ( -2.937 0.972 1.615) 3.489 12.395 ( 3.394 2.771 -1.890) 4.771 12.528 ( 2.045 1.574 -0.556) 2.640 13.033 ( -12.831 1.485 11.649) 17.394 13.849 ( 8.125 3.189 -0.743) 8.760 14.265 ( -2.374 1.310 0.246) 2.722 14.326 ( 3.160 1.290 2.290) 4.110 16.009 ( -7.594 -1.233 8.670) 11.591 16.470 ( 0.752 -1.301 5.024) 5.244 16.696 ( -2.401 2.470 -10.382) 10.939 16.825 ( 8.009 0.608 -4.217) 9.072 ======================= Grid point 200 (104/164) ======================= q-point: ( 0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 2.500 5.739 13.532) 14.910 2.335 ( 7.752 1.965 9.825) 12.668 2.640 ( 5.133 -2.907 -4.346) 7.327 2.812 ( -0.496 0.072 0.244) 0.557 3.168 ( -0.809 -1.059 -2.853) 3.149 3.353 ( 2.103 5.585 -0.123) 5.969 3.617 ( -5.104 3.335 5.432) 8.166 3.763 ( -6.637 0.423 9.482) 11.582 3.899 ( -2.522 0.909 -6.330) 6.874 4.182 ( 4.532 3.033 -0.636) 5.490 4.297 ( 1.376 -0.935 -2.337) 2.869 4.720 ( -2.907 0.651 -6.358) 7.022 4.770 ( -1.763 1.206 -5.597) 5.990 5.042 ( 0.634 2.545 -2.540) 3.651 5.417 ( -3.826 4.393 -5.731) 8.172 5.948 ( 7.657 -8.608 3.912) 12.167 6.095 ( -3.347 -1.036 0.205) 3.510 6.155 ( 0.414 3.796 -6.250) 7.324 6.419 ( -5.195 5.224 1.850) 7.596 6.660 ( -8.141 -0.470 -10.865) 13.585 7.158 ( -2.484 -4.277 3.245) 5.915 7.352 ( -1.916 -3.771 -3.024) 5.200 7.581 ( 1.794 -4.015 3.233) 5.458 7.734 ( -0.912 -1.268 -0.820) 1.764 7.935 ( 7.951 -2.657 -1.011) 8.444 8.010 ( 1.794 -4.357 -4.932) 6.821 8.345 ( -2.966 0.603 4.493) 5.418 8.402 ( -5.635 -1.567 0.137) 5.850 9.114 ( 6.571 -0.806 -5.374) 8.527 9.209 ( 5.157 1.121 5.613) 7.704 9.338 ( 1.921 3.621 0.615) 4.145 9.535 ( 9.221 4.325 -4.636) 11.191 10.037 ( -9.664 4.979 3.595) 11.450 10.156 ( -5.008 3.415 3.391) 6.945 11.276 ( -3.368 -8.020 4.890) 9.979 11.545 ( -1.301 -13.560 -3.581) 14.085 11.976 ( -7.981 5.226 4.542) 10.566 12.184 ( 0.075 6.538 -2.785) 7.107 12.416 ( 1.000 2.727 -2.684) 3.955 12.532 ( -4.840 3.335 13.712) 14.919 13.064 ( 8.121 2.614 2.939) 9.023 14.018 ( 7.047 -0.725 2.611) 7.550 14.251 ( 1.363 1.728 1.684) 2.771 14.394 ( 2.088 1.248 3.112) 3.950 15.838 ( -13.009 -1.976 1.653) 13.262 16.461 ( -4.618 -1.588 -2.398) 5.441 16.618 ( 1.336 5.172 -3.301) 6.280 16.923 ( 5.243 -0.742 -5.146) 7.384 ======================= Grid point 201 (105/164) ======================= q-point: ( 0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 1.058 3.662 9.816) 10.530 2.440 ( -1.129 -3.410 3.907) 5.307 2.697 ( 0.981 -0.999 -2.660) 3.005 2.784 ( -0.924 1.167 -3.821) 4.101 3.167 ( 1.752 0.457 1.036) 2.086 3.389 ( 1.812 6.838 -0.769) 7.116 3.574 ( -2.610 3.435 4.704) 6.382 3.668 ( -8.664 0.369 6.878) 11.069 3.810 ( -1.736 2.051 -8.330) 8.753 4.189 ( 0.093 -1.973 -6.132) 6.442 4.369 ( 5.661 3.115 0.532) 6.483 4.589 ( -3.952 -1.374 -4.521) 6.160 4.730 ( 0.265 1.311 -5.970) 6.118 5.025 ( -1.198 2.120 -1.655) 2.944 5.313 ( -3.073 8.100 -6.271) 10.694 5.941 ( -11.458 0.618 4.903) 12.478 6.062 ( 4.136 -1.578 -11.110) 11.959 6.107 ( -2.394 -4.559 -0.127) 5.151 6.426 ( -1.019 1.298 -1.086) 1.976 6.501 ( 2.291 1.377 -1.145) 2.908 7.172 ( 0.625 -5.119 4.924) 7.130 7.323 ( 0.056 -3.063 0.011) 3.064 7.630 ( 1.127 -3.230 2.988) 4.542 7.718 ( 0.477 -0.725 -3.315) 3.427 7.958 ( -2.188 1.514 -10.116) 10.460 8.026 ( 2.148 -2.795 -6.892) 7.741 8.270 ( -5.092 -1.344 2.758) 5.945 8.311 ( -1.097 -3.621 -1.432) 4.045 9.209 ( 4.806 -3.081 2.710) 6.319 9.385 ( 8.560 -0.486 1.625) 8.726 9.414 ( 4.012 3.726 5.167) 7.529 9.656 ( 4.729 1.232 -2.564) 5.519 9.901 ( -7.994 6.469 7.568) 12.768 10.087 ( -4.450 3.956 3.845) 7.087 11.232 ( -4.540 -9.260 3.845) 11.007 11.487 ( -2.365 -14.676 -3.197) 15.205 11.860 ( -6.773 5.822 4.136) 9.842 12.137 ( -0.894 10.683 -7.869) 13.299 12.448 ( -0.518 1.533 9.498) 9.635 12.567 ( 0.683 5.640 9.758) 11.291 13.281 ( 12.767 1.568 -0.913) 12.895 14.060 ( -2.211 -1.945 -2.091) 3.611 14.395 ( 8.584 0.769 8.368) 12.013 14.451 ( 1.124 1.309 5.346) 5.618 15.580 ( -12.970 -1.540 -2.710) 13.339 16.303 ( -5.917 -1.471 -11.199) 12.751 16.657 ( 1.544 4.888 2.724) 5.805 16.956 ( 2.366 -0.600 -5.378) 5.907 ======================= Grid point 202 (106/164) ======================= q-point: (-0.56 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -4.232 1.516 10.056) 11.015 2.406 ( -4.089 -5.615 3.555) 7.803 2.535 ( -13.565 -0.326 -4.106) 14.177 2.770 ( 1.920 2.381 -7.148) 7.774 3.231 ( 1.795 3.640 4.017) 5.710 3.402 ( -0.313 2.931 -1.005) 3.114 3.547 ( -2.531 2.401 -2.131) 4.088 3.593 ( -2.680 4.139 8.540) 9.861 3.720 ( -1.227 1.938 -8.771) 9.066 4.152 ( 0.820 -2.039 -5.922) 6.317 4.444 ( 0.230 4.484 -2.244) 5.020 4.559 ( 3.839 -2.643 -2.074) 5.102 4.720 ( 2.311 2.201 -0.455) 3.224 4.992 ( -0.641 1.441 -0.267) 1.600 5.218 ( -1.962 7.757 -5.587) 9.759 5.771 ( -9.461 2.172 5.432) 11.124 5.912 ( -8.096 0.798 -12.536) 14.944 6.133 ( 7.078 -4.521 -6.534) 10.641 6.453 ( 3.475 -3.746 1.749) 5.401 6.597 ( 3.021 0.971 4.680) 5.654 7.232 ( 2.360 -6.307 3.250) 7.477 7.343 ( 1.293 -3.487 -0.143) 3.722 7.643 ( -1.956 2.470 -2.593) 4.081 7.707 ( 1.337 -2.016 -1.572) 2.885 7.807 ( -5.543 5.080 -8.669) 11.476 7.915 ( -5.918 0.896 -6.179) 8.603 8.268 ( 3.366 -6.963 0.584) 7.756 8.357 ( 6.264 -3.266 -3.723) 7.985 9.312 ( 1.864 -3.828 6.348) 7.644 9.480 ( 1.892 -0.337 4.368) 4.772 9.578 ( 7.392 0.619 -0.111) 7.419 9.652 ( -3.207 -2.284 0.840) 4.026 9.838 ( -5.299 5.033 9.359) 11.875 10.071 ( 0.730 7.743 2.745) 8.248 11.160 ( -5.381 -9.914 3.340) 11.764 11.421 ( -2.209 -13.265 -2.164) 13.621 11.777 ( -4.955 6.189 3.198) 8.549 12.083 ( 1.101 8.969 -6.867) 11.349 12.467 ( -6.321 3.701 14.902) 16.605 12.713 ( 9.268 5.710 3.351) 11.390 13.511 ( 12.027 0.532 -1.006) 12.081 13.952 ( -6.329 -2.184 -4.710) 8.186 14.516 ( 1.184 1.034 8.521) 8.664 14.610 ( 5.805 -0.117 10.361) 11.877 15.350 ( -7.803 -0.700 -3.419) 8.548 16.097 ( -6.431 -2.176 -15.369) 16.801 16.697 ( 0.589 4.736 2.977) 5.624 16.951 ( 1.096 -0.176 -4.969) 5.091 ======================= Grid point 203 (107/164) ======================= q-point: (-0.44 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -10.429 0.363 12.946) 16.629 2.151 ( -21.257 2.137 -0.120) 21.365 2.406 ( -1.398 -6.769 3.626) 7.805 2.743 ( 0.437 1.099 -6.284) 6.395 3.256 ( -1.311 5.825 3.092) 6.724 3.341 ( -5.423 -1.491 1.847) 5.919 3.551 ( 3.917 3.929 -5.207) 7.608 3.607 ( -1.130 7.160 4.892) 8.745 3.670 ( 2.432 0.336 -5.893) 6.384 4.152 ( 3.165 -2.381 -4.682) 6.133 4.339 ( -9.064 2.929 0.326) 9.531 4.624 ( 3.582 2.494 -4.605) 6.345 4.840 ( 8.200 3.449 4.081) 9.787 4.967 ( -2.415 1.173 -4.171) 4.960 5.256 ( 9.676 1.956 1.869) 10.047 5.661 ( -5.061 2.551 -1.195) 5.792 5.684 ( -5.793 3.070 -9.054) 11.179 6.261 ( 10.050 -2.870 -5.005) 11.588 6.527 ( 1.945 -5.212 3.040) 6.340 6.650 ( 0.114 -1.835 2.231) 2.891 7.283 ( 1.467 -3.453 -1.813) 4.167 7.338 ( -0.910 -4.622 -2.247) 5.219 7.538 ( -4.381 6.118 -2.863) 8.051 7.662 ( -3.873 2.172 -5.423) 7.009 7.750 ( 1.833 -0.685 2.664) 3.306 7.809 ( -2.936 0.187 -0.967) 3.097 8.373 ( 7.937 -6.396 -3.443) 10.759 8.464 ( 8.920 -2.885 -7.555) 12.040 9.319 ( -6.586 -4.170 6.381) 10.074 9.506 ( -4.550 1.073 5.450) 7.180 9.601 ( -1.271 -2.657 -2.392) 3.794 9.626 ( -0.442 -0.029 1.828) 1.881 9.882 ( 3.367 1.384 8.946) 9.658 10.128 ( 3.397 8.526 1.091) 9.242 11.090 ( -4.090 -9.340 3.827) 10.891 11.386 ( -0.766 -10.559 0.010) 10.587 11.723 ( -2.257 5.194 2.138) 6.053 12.078 ( 1.402 7.290 -3.425) 8.175 12.433 ( -5.983 2.228 10.818) 12.562 12.925 ( 10.010 7.395 3.010) 12.804 13.689 ( 2.386 -2.716 -1.862) 4.067 13.789 ( -1.762 -0.096 -5.143) 5.437 14.582 ( -3.647 -3.831 10.643) 11.885 14.751 ( 5.407 3.322 7.433) 9.773 15.292 ( 2.144 -0.149 3.180) 3.838 15.838 ( -9.041 -2.724 -18.809) 21.046 16.721 ( -0.020 4.961 2.528) 5.568 16.939 ( 1.103 0.344 -4.201) 4.357 ======================= Grid point 204 (108/164) ======================= q-point: (-0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -21.532 2.847 7.410) 22.948 1.938 ( -13.134 1.815 16.055) 20.822 2.418 ( -1.886 -4.737 8.032) 9.514 2.714 ( -0.479 -1.544 -1.807) 2.425 3.244 ( -2.374 4.079 0.750) 4.779 3.271 ( -2.200 0.435 4.579) 5.099 3.554 ( -0.731 1.056 -1.873) 2.271 3.629 ( 2.830 4.975 -0.943) 5.801 3.748 ( 6.820 5.394 -1.529) 8.829 4.161 ( -9.968 4.831 3.059) 11.491 4.203 ( 4.901 -2.990 -3.711) 6.835 4.618 ( -0.632 1.942 -5.731) 6.084 4.884 ( -0.771 -2.063 -5.872) 6.271 5.033 ( 8.463 5.843 2.908) 10.687 5.453 ( 2.115 -0.656 -5.515) 5.942 5.563 ( 2.358 4.484 -5.986) 7.842 5.683 ( 10.258 3.265 5.333) 12.014 6.423 ( 10.298 -1.052 -5.638) 11.787 6.526 ( -4.724 -5.637 1.035) 7.427 6.667 ( 1.820 -4.578 0.969) 5.021 7.245 ( -1.990 0.875 -1.370) 2.570 7.317 ( -0.276 2.421 -0.707) 2.537 7.490 ( 0.029 -2.323 0.797) 2.456 7.603 ( -0.188 -1.363 -2.271) 2.655 7.751 ( -2.354 0.307 -1.242) 2.679 7.804 ( 1.099 0.069 2.979) 3.176 8.483 ( 5.319 -4.307 -4.993) 8.472 8.584 ( 10.194 -2.671 -10.252) 14.703 9.161 ( -12.704 -4.896 3.250) 13.997 9.370 ( -11.497 2.961 5.817) 13.221 9.588 ( 0.321 -1.394 -2.192) 2.618 9.641 ( 0.611 -0.099 -0.000) 0.619 10.016 ( 4.285 -0.615 5.831) 7.262 10.218 ( 5.890 7.469 0.215) 9.514 11.075 ( -0.564 -8.062 5.037) 9.523 11.389 ( 0.189 -8.153 2.498) 8.529 11.728 ( 1.256 2.916 1.989) 3.746 12.079 ( 0.045 7.192 0.429) 7.205 12.401 ( -3.132 -0.405 5.418) 6.271 13.088 ( 2.433 7.257 3.902) 8.591 13.516 ( -6.342 -2.161 -9.577) 11.688 13.904 ( 7.389 0.216 0.292) 7.398 14.501 ( -8.679 -7.391 4.935) 12.422 14.992 ( 12.623 2.798 9.595) 16.101 15.424 ( 4.185 -0.215 7.413) 8.515 15.499 ( -10.946 -1.015 -15.891) 19.323 16.731 ( -0.501 5.540 2.079) 5.939 16.936 ( 1.421 0.798 -3.849) 4.180 ======================= Grid point 205 (109/164) ======================= q-point: (-0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -14.956 2.895 17.270) 23.029 1.814 ( -12.225 5.460 19.554) 23.698 2.448 ( -2.120 -1.329 12.884) 13.124 2.698 ( -1.607 -2.565 2.152) 3.714 3.207 ( -1.088 -0.238 1.299) 1.711 3.303 ( 0.411 2.475 5.194) 5.768 3.532 ( 0.548 1.947 -1.562) 2.556 3.696 ( 3.900 4.003 0.330) 5.598 3.862 ( 5.075 4.079 -0.279) 6.517 4.031 ( -5.752 7.716 4.506) 10.627 4.273 ( 4.373 -2.991 -2.552) 5.880 4.545 ( -1.390 0.990 -6.468) 6.689 4.876 ( 3.485 -5.325 -5.687) 8.535 5.151 ( 2.444 7.264 -1.734) 7.858 5.417 ( 3.458 1.067 -9.593) 10.253 5.573 ( 2.219 4.056 -0.084) 4.625 6.054 ( 19.254 0.742 6.562) 20.355 6.361 ( -9.916 -5.896 -3.211) 11.975 6.570 ( 7.183 -0.140 -5.340) 8.952 6.707 ( 2.191 -3.361 -2.056) 4.508 7.257 ( 3.367 -0.547 3.921) 5.197 7.347 ( 1.887 4.555 4.805) 6.884 7.519 ( 1.854 -3.567 1.067) 4.159 7.598 ( 1.554 -3.771 -3.962) 5.686 7.697 ( -2.118 -0.942 -0.782) 2.446 7.827 ( -0.761 1.545 1.721) 2.435 8.466 ( -4.678 -1.112 -1.049) 4.921 8.695 ( 5.553 -3.014 -7.955) 10.159 8.930 ( -9.339 -2.261 -1.720) 9.761 9.209 ( -7.824 0.943 2.572) 8.289 9.553 ( -2.026 -1.321 -4.113) 4.771 9.640 ( 0.091 0.423 -2.176) 2.218 10.106 ( 1.988 2.611 3.629) 4.893 10.343 ( 6.988 4.697 -1.916) 8.635 11.132 ( 2.380 -6.875 5.822) 9.318 11.428 ( 1.939 -8.540 3.218) 9.330 11.790 ( 3.176 3.547 3.691) 6.025 12.104 ( 1.902 5.443 2.490) 6.281 12.382 ( -1.869 -1.928 2.014) 3.356 12.979 ( -13.500 1.357 -0.115) 13.569 13.460 ( 5.088 3.269 -7.028) 9.272 14.024 ( 4.844 -0.500 0.523) 4.897 14.356 ( -9.619 -9.258 2.831) 13.647 14.932 ( -17.941 2.675 -19.301) 26.487 15.495 ( 17.655 -1.487 12.381) 21.615 15.643 ( 7.550 1.200 13.470) 15.488 16.728 ( -1.142 6.398 1.404) 6.649 16.933 ( 0.949 0.951 -4.511) 4.706 ======================= Grid point 206 (110/164) ======================= q-point: (-0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.898 2.999 21.882) 22.276 1.760 ( -8.085 9.202 21.800) 25.006 2.520 ( -0.633 -0.051 14.713) 14.727 2.679 ( -1.555 -0.492 2.645) 3.107 3.225 ( 1.717 -2.717 1.167) 3.420 3.318 ( -1.295 1.205 0.988) 2.026 3.579 ( 4.033 3.256 2.264) 5.656 3.749 ( -0.493 4.369 3.688) 5.738 3.921 ( 1.032 1.389 3.772) 4.150 4.022 ( 2.046 8.737 -0.052) 8.973 4.309 ( 0.187 -1.963 -1.191) 2.303 4.530 ( 4.667 0.124 -4.744) 6.656 4.911 ( 3.533 -3.706 -5.240) 7.326 5.128 ( -0.391 4.774 -5.865) 7.573 5.456 ( 5.780 -0.640 -6.104) 8.430 5.661 ( 5.985 4.277 1.645) 7.538 6.116 ( -12.531 -5.748 -2.616) 14.033 6.435 ( 15.071 -1.417 4.285) 15.733 6.554 ( -3.724 1.044 -6.412) 7.488 6.784 ( 8.325 -1.449 -5.613) 10.144 7.390 ( 5.385 -6.125 0.758) 8.191 7.393 ( -1.583 -1.623 4.444) 4.989 7.583 ( 2.059 3.252 3.654) 5.307 7.603 ( 4.356 -1.732 -5.930) 7.559 7.706 ( 2.368 -1.809 5.184) 5.979 7.789 ( -2.580 3.059 -1.582) 4.304 8.354 ( -7.157 -0.459 6.620) 9.760 8.542 ( -14.999 0.915 3.773) 15.494 8.945 ( 10.672 -2.331 -9.531) 14.497 9.106 ( -2.900 -1.922 -4.277) 5.513 9.459 ( -4.440 -0.654 -4.876) 6.627 9.607 ( -1.297 1.930 -4.834) 5.364 10.152 ( 0.771 4.990 2.824) 5.785 10.417 ( 2.416 4.186 -4.366) 6.513 11.224 ( 2.493 -6.217 5.838) 8.886 11.502 ( 3.760 -10.084 1.530) 10.871 11.901 ( 4.958 5.066 5.891) 9.217 12.182 ( 4.101 3.097 2.500) 5.715 12.352 ( -2.409 -2.635 0.952) 3.695 12.702 ( -12.223 0.971 -3.670) 12.799 13.505 ( 0.806 -1.024 -1.386) 1.902 14.012 ( -11.896 -3.885 -4.762) 13.389 14.198 ( -2.534 -0.631 1.414) 2.969 14.501 ( -12.749 6.697 -7.606) 16.286 15.820 ( 6.317 0.158 13.517) 14.921 16.004 ( 19.891 -5.149 9.847) 22.784 16.707 ( -1.364 7.362 -0.251) 7.491 16.902 ( -0.647 0.801 -5.960) 6.049 ======================= Grid point 207 (111/164) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 7.040 9.864 15.174) 19.420 2.047 ( -0.235 10.298 16.426) 19.388 2.521 ( 0.336 -3.123 2.594) 4.074 2.720 ( 2.589 -2.751 7.498) 8.396 3.194 ( -0.952 -2.201 1.067) 2.624 3.299 ( -0.071 -0.907 -0.621) 1.102 3.766 ( 4.809 6.457 -2.099) 8.320 3.871 ( -7.812 6.124 13.374) 16.655 4.048 ( 5.036 2.747 3.226) 6.581 4.180 ( -2.025 6.052 -5.733) 8.579 4.232 ( -1.116 -3.249 2.783) 4.421 4.648 ( 4.877 2.755 0.098) 5.603 4.965 ( 8.990 0.792 -2.298) 9.313 5.162 ( -3.834 6.073 -7.030) 10.050 5.467 ( 2.579 -2.876 -4.411) 5.863 5.707 ( -6.865 -6.778 -5.513) 11.111 5.866 ( 4.876 -1.065 6.217) 7.973 6.476 ( -2.713 2.662 -8.649) 9.447 6.621 ( 4.484 -0.027 1.908) 4.873 6.836 ( 4.907 -2.427 -6.394) 8.417 7.155 ( -3.992 -7.451 0.024) 8.453 7.286 ( -2.090 -7.997 -2.050) 8.516 7.600 ( 5.974 -2.418 -2.023) 6.755 7.654 ( -6.976 2.169 1.004) 7.373 7.849 ( 2.327 3.754 0.639) 4.463 7.906 ( 3.809 1.627 -2.620) 4.901 8.235 ( -3.675 -1.513 9.973) 10.736 8.464 ( -6.526 3.824 12.061) 14.237 8.997 ( 4.622 -1.574 -6.920) 8.469 9.032 ( 7.813 -1.454 -10.536) 13.197 9.373 ( -2.720 1.036 -2.805) 4.043 9.556 ( -0.329 -1.389 -6.442) 6.599 10.339 ( -1.010 9.589 5.978) 11.345 10.518 ( -3.668 8.330 -2.442) 9.424 11.117 ( -0.727 -9.499 5.011) 10.764 11.303 ( 1.657 -12.290 -0.157) 12.402 12.157 ( 3.176 3.948 5.377) 7.389 12.254 ( -4.254 0.511 1.703) 4.611 12.324 ( 4.692 1.895 1.748) 5.353 12.567 ( -0.482 0.381 -4.269) 4.313 13.219 ( -16.665 -4.192 13.839) 22.063 13.938 ( 1.228 6.474 -10.262) 12.195 14.278 ( 3.404 1.393 1.912) 4.145 14.390 ( -6.594 2.925 -2.803) 7.739 15.998 ( -0.599 0.514 13.860) 13.883 16.241 ( 12.082 -3.855 7.790) 14.884 16.814 ( 1.215 3.810 -5.977) 7.192 16.848 ( -1.758 1.129 -7.569) 7.853 ======================= Grid point 208 (112/164) ======================= q-point: ( 0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 4.705 9.549 12.272) 16.246 2.205 ( 6.525 7.295 12.220) 15.656 2.539 ( 1.912 -1.872 -1.364) 3.003 2.795 ( 0.470 -1.786 4.056) 4.457 3.160 ( -1.791 -3.124 -1.415) 3.869 3.331 ( 2.958 -1.268 0.757) 3.307 3.792 ( -4.633 7.606 7.789) 11.831 3.823 ( -3.355 1.774 4.015) 5.525 4.024 ( -4.669 1.923 -4.228) 6.586 4.208 ( 4.845 5.466 3.953) 8.305 4.256 ( 1.686 -1.062 -1.290) 2.374 4.732 ( 3.762 2.360 -1.347) 4.641 4.996 ( -6.663 5.156 -7.369) 11.193 5.111 ( 5.390 4.509 -2.631) 7.504 5.495 ( 1.602 -3.485 -1.334) 4.061 5.620 ( 2.463 -7.151 -3.536) 8.350 6.008 ( 4.691 -1.118 6.488) 8.084 6.354 ( -3.216 4.523 -9.846) 11.303 6.618 ( -4.352 1.529 -0.738) 4.671 6.828 ( -1.467 -0.876 -7.939) 8.121 7.075 ( -4.609 -7.433 1.448) 8.865 7.264 ( 0.775 -8.277 -1.143) 8.392 7.522 ( -5.369 0.273 0.236) 5.381 7.711 ( 3.276 -1.452 -0.203) 3.589 7.798 ( -3.678 -2.012 -0.240) 4.199 7.880 ( -0.863 -4.072 -1.944) 4.594 8.338 ( 3.523 2.558 8.663) 9.695 8.483 ( -1.178 3.303 6.245) 7.162 9.035 ( 7.078 0.153 -10.771) 12.889 9.124 ( 5.238 -0.032 -1.818) 5.544 9.348 ( 0.059 -0.078 1.489) 1.492 9.521 ( 3.562 0.339 -9.113) 9.790 10.326 ( -4.053 10.933 3.978) 12.320 10.389 ( -8.806 7.713 1.479) 11.799 11.113 ( -3.051 -10.224 4.959) 11.766 11.304 ( -0.980 -12.423 -1.051) 12.506 12.175 ( -4.233 4.553 4.154) 7.477 12.230 ( 0.200 0.938 1.428) 1.720 12.436 ( 5.923 0.776 1.383) 6.132 12.565 ( 1.399 1.723 -3.990) 4.566 13.078 ( -7.022 2.568 14.752) 16.539 13.930 ( 4.336 3.928 -5.910) 8.316 14.302 ( -2.361 1.970 0.128) 3.077 14.357 ( 3.115 1.366 2.079) 3.986 15.979 ( -9.162 -1.361 7.884) 12.163 16.442 ( 3.356 -1.111 7.015) 7.855 16.759 ( -0.802 3.042 -9.441) 9.951 16.838 ( 5.082 0.502 -5.393) 7.427 ======================= Grid point 209 (113/164) ======================= q-point: ( 0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.235 8.093 7.575) 11.308 2.390 ( 3.697 2.829 5.691) 7.353 2.595 ( 5.210 -1.099 -0.742) 5.376 2.798 ( -0.929 -1.270 0.456) 1.639 3.133 ( 0.052 -2.625 -0.368) 2.651 3.397 ( 2.615 -1.251 1.509) 3.268 3.735 ( -7.150 4.490 10.127) 13.185 3.766 ( -3.643 0.810 0.058) 3.732 3.936 ( -0.881 3.685 -6.538) 7.556 4.255 ( -0.552 1.658 -2.651) 3.175 4.320 ( 3.866 4.523 3.490) 6.898 4.763 ( 1.080 2.865 -2.340) 3.854 4.792 ( -8.526 2.270 -7.221) 11.402 5.159 ( 2.485 7.362 -5.306) 9.409 5.495 ( 0.720 2.346 -3.934) 4.637 5.729 ( 7.009 -11.432 2.593) 13.658 6.082 ( -3.259 -0.332 5.555) 6.449 6.244 ( -0.991 4.353 -8.368) 9.485 6.516 ( -3.438 3.205 -1.173) 4.845 6.659 ( -9.113 0.949 -9.089) 12.905 7.016 ( -3.172 -8.214 3.988) 9.667 7.273 ( 0.447 -3.702 -0.604) 3.778 7.483 ( 0.441 -4.582 0.707) 4.657 7.667 ( -1.209 -4.572 -1.514) 4.966 7.835 ( 0.677 -7.582 1.055) 7.685 7.908 ( 6.525 -2.378 -1.814) 7.178 8.395 ( -2.454 4.093 1.710) 5.070 8.435 ( -4.907 3.598 -1.717) 6.322 9.108 ( 5.085 0.316 -5.543) 7.529 9.224 ( 6.775 -0.199 0.520) 6.798 9.377 ( 1.571 0.409 3.867) 4.194 9.582 ( 7.026 -0.575 -6.555) 9.626 10.202 ( -10.773 8.572 5.079) 14.675 10.284 ( -4.970 9.398 5.290) 11.875 11.077 ( -3.819 -10.529 3.840) 11.840 11.258 ( -2.399 -12.090 -2.571) 12.591 12.078 ( -8.008 3.774 4.744) 10.044 12.296 ( 5.691 4.333 0.138) 7.154 12.491 ( -1.116 3.627 -5.046) 6.313 12.582 ( 1.364 0.738 8.497) 8.637 13.155 ( 5.780 5.534 7.261) 10.805 13.999 ( 3.928 -1.018 -1.692) 4.396 14.299 ( 2.220 2.573 1.581) 3.748 14.423 ( 2.039 1.227 3.094) 3.903 15.791 ( -12.884 -2.112 1.187) 13.110 16.442 ( -5.679 -0.375 0.170) 5.693 16.727 ( 3.048 4.804 -5.162) 7.682 16.904 ( 4.590 -1.040 -4.422) 6.458 ======================= Grid point 210 (114/164) ======================= q-point: ( 0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.229 5.587 4.399) 7.114 2.389 ( -4.564 -1.310 1.180) 4.893 2.680 ( 1.392 -0.474 -1.732) 2.272 2.783 ( 0.104 -0.994 -2.653) 2.835 3.175 ( 3.753 -0.373 2.900) 4.758 3.421 ( -2.314 -3.292 2.804) 4.904 3.675 ( -3.973 4.164 4.980) 7.611 3.729 ( -0.137 3.728 -0.708) 3.797 3.874 ( -0.777 4.799 -8.025) 9.383 4.208 ( -2.192 3.890 -2.200) 4.978 4.395 ( 2.560 0.242 1.715) 3.091 4.613 ( -5.338 0.916 -4.446) 7.007 4.767 ( 1.410 5.083 -0.869) 5.346 5.140 ( -0.488 7.371 -5.520) 9.221 5.461 ( -1.581 4.954 -5.165) 7.330 5.856 ( 4.129 -12.062 1.785) 12.873 5.977 ( -9.554 2.671 5.247) 11.223 6.152 ( -3.136 3.074 -10.852) 11.707 6.444 ( -5.011 1.204 -6.435) 8.244 6.524 ( 2.475 0.411 2.030) 3.227 7.014 ( -0.414 -8.618 5.050) 9.997 7.282 ( 0.911 -0.813 -0.740) 1.427 7.507 ( 1.210 -7.969 1.610) 8.220 7.684 ( 3.849 -2.199 -3.345) 5.553 7.867 ( 3.418 -8.568 -2.006) 9.440 8.012 ( 4.689 0.843 -3.545) 5.939 8.278 ( -5.958 2.688 -4.019) 7.673 8.312 ( -7.055 3.123 -1.998) 7.970 9.166 ( 3.151 -0.794 2.228) 3.940 9.345 ( 4.838 -3.217 -0.518) 5.833 9.481 ( 6.805 2.263 2.641) 7.642 9.634 ( 0.858 -2.777 -2.517) 3.845 10.050 ( -10.787 6.394 11.017) 16.692 10.254 ( -1.143 11.210 3.584) 11.824 11.020 ( -4.322 -10.516 2.177) 11.577 11.189 ( -2.295 -12.139 -3.981) 12.980 11.976 ( -5.905 4.434 5.012) 8.924 12.323 ( -2.207 6.567 -7.105) 9.924 12.510 ( 4.342 4.034 6.027) 8.453 12.669 ( 1.485 2.969 10.219) 10.744 13.343 ( 10.658 4.326 -0.047) 11.503 13.999 ( -2.435 -3.540 -2.780) 5.118 14.424 ( 7.750 1.866 5.184) 9.509 14.480 ( 1.010 1.248 5.732) 5.952 15.543 ( -12.043 -1.661 -2.646) 12.442 16.279 ( -7.812 -0.705 -8.030) 11.225 16.767 ( 2.562 4.869 -0.901) 5.575 16.940 ( 2.360 -0.872 -3.913) 4.652 ======================= Grid point 211 (115/164) ======================= q-point: (-0.56 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -6.254 2.687 7.228) 9.929 2.313 ( -2.391 -2.698 0.025) 3.605 2.540 ( -12.784 0.812 -3.756) 13.349 2.775 ( 1.158 -1.510 -7.017) 7.270 3.288 ( 3.946 1.128 4.629) 6.186 3.360 ( -5.558 -4.500 4.317) 8.353 3.665 ( 1.129 1.863 -1.185) 2.480 3.708 ( -0.982 8.565 -3.659) 9.365 3.804 ( -1.201 6.240 -4.997) 8.084 4.150 ( -2.200 2.187 -2.240) 3.826 4.500 ( 5.259 -2.298 1.614) 5.962 4.524 ( -0.431 2.154 0.220) 2.208 4.828 ( 4.559 8.253 1.966) 9.631 5.078 ( -2.332 5.925 -2.612) 6.883 5.352 ( -5.359 3.788 -6.353) 9.134 5.839 ( -7.768 4.138 4.505) 9.887 5.895 ( -0.997 -5.050 -6.346) 8.171 6.031 ( 2.008 -1.986 -7.420) 7.939 6.407 ( 2.481 -0.236 -1.915) 3.143 6.578 ( 0.776 -2.506 1.638) 3.093 7.064 ( 2.157 -8.535 4.485) 9.880 7.280 ( -0.121 -2.747 -2.733) 3.877 7.563 ( 2.683 -6.513 3.453) 7.844 7.731 ( 3.043 1.910 -4.381) 5.666 7.900 ( 1.309 -2.608 -7.436) 7.988 7.966 ( -5.715 7.794 -6.217) 11.492 8.152 ( -3.044 -2.108 0.471) 3.733 8.270 ( 5.289 -4.069 -3.659) 7.610 9.248 ( 1.311 -1.925 6.394) 6.805 9.418 ( 2.553 -4.431 2.797) 5.829 9.581 ( -1.785 -3.115 -1.986) 4.103 9.616 ( 3.016 0.687 -0.470) 3.128 9.958 ( -7.535 6.308 14.578) 17.581 10.276 ( 0.933 10.339 1.942) 10.561 10.952 ( -3.624 -9.548 0.865) 10.249 11.128 ( -0.633 -12.311 -4.802) 13.229 11.921 ( -3.806 5.990 4.969) 8.663 12.227 ( -1.965 4.745 -5.762) 7.719 12.565 ( -6.566 4.988 14.133) 16.363 12.843 ( 11.811 5.383 2.826) 13.284 13.538 ( 10.448 2.141 -2.535) 10.962 13.885 ( -6.239 -3.901 -5.102) 8.954 14.535 ( -1.614 0.533 10.252) 10.392 14.620 ( 8.096 1.124 6.117) 10.210 15.333 ( -6.992 -0.770 -2.859) 7.592 16.053 ( -8.392 -1.691 -13.072) 15.625 16.802 ( 1.523 4.420 -0.128) 4.677 16.948 ( 1.364 -0.018 -3.360) 3.627 ======================= Grid point 212 (116/164) ======================= q-point: (-0.44 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -9.971 0.545 9.975) 14.114 2.212 ( -18.287 3.909 -0.468) 18.706 2.293 ( -1.040 -3.556 1.895) 4.161 2.717 ( -1.976 -3.301 -6.053) 7.172 3.280 ( -3.469 -2.824 1.017) 4.588 3.361 ( -1.824 2.055 7.247) 7.750 3.651 ( -0.519 4.666 -4.244) 6.329 3.670 ( 1.114 1.150 -7.194) 7.370 3.818 ( 4.230 9.997 1.230) 10.924 4.114 ( 0.172 -1.136 -1.973) 2.283 4.422 ( -6.660 4.654 3.622) 8.896 4.681 ( 5.020 2.409 -1.391) 5.739 4.960 ( 6.211 7.134 3.728) 10.167 5.020 ( -2.723 4.375 -2.543) 5.746 5.277 ( 4.937 -0.404 -0.809) 5.019 5.748 ( -2.722 5.718 -4.386) 7.703 5.772 ( -2.712 4.578 -8.120) 9.708 6.144 ( 9.314 -7.888 0.955) 12.243 6.456 ( 2.812 -0.850 -1.013) 3.108 6.559 ( -2.612 -6.303 -1.539) 6.995 7.149 ( 3.714 -8.202 3.476) 9.651 7.245 ( -0.946 -4.484 -3.852) 5.986 7.628 ( 0.822 -2.936 2.646) 4.037 7.688 ( -5.432 6.233 -4.158) 9.254 7.812 ( -3.622 1.706 -4.762) 6.221 7.835 ( -1.758 5.686 -3.292) 6.801 8.217 ( 7.894 -7.652 -1.798) 11.140 8.389 ( 9.992 -3.493 -6.567) 12.457 9.242 ( -7.573 -2.849 6.238) 10.216 9.472 ( -0.329 -3.520 3.176) 4.752 9.539 ( 0.009 -3.160 -0.471) 3.195 9.624 ( -1.812 -0.100 1.730) 2.507 9.970 ( -1.487 6.038 11.537) 13.106 10.312 ( 1.945 8.044 1.665) 8.441 10.909 ( -1.126 -7.528 0.275) 7.617 11.107 ( 1.711 -12.517 -4.209) 13.317 11.892 ( -2.549 8.153 4.540) 9.674 12.183 ( 0.105 2.851 -2.572) 3.841 12.496 ( -9.120 3.363 11.524) 15.076 13.098 ( 11.856 7.620 2.765) 14.362 13.628 ( -3.879 -2.519 -5.224) 6.977 13.775 ( 4.256 -1.275 -4.669) 6.445 14.512 ( -9.137 -2.552 10.386) 14.067 14.814 ( 8.884 2.574 5.898) 10.970 15.288 ( 2.354 -0.198 3.461) 4.191 15.781 ( -9.864 -2.286 -16.412) 19.284 16.825 ( 1.020 3.923 -0.100) 4.055 16.954 ( 1.633 1.140 -3.081) 3.668 ======================= Grid point 213 (117/164) ======================= q-point: (-0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -18.422 3.695 5.328) 19.530 2.021 ( -9.506 6.027 15.034) 18.780 2.301 ( -0.277 -5.862 4.913) 7.654 2.645 ( -2.603 -4.836 -0.797) 5.550 3.242 ( -2.243 -1.230 3.022) 3.959 3.346 ( -2.853 2.439 3.862) 5.385 3.612 ( 0.313 4.271 -5.797) 7.208 3.675 ( 2.899 0.290 -1.398) 3.231 3.922 ( 4.973 8.930 0.276) 10.225 4.123 ( 1.286 -3.268 -0.256) 3.521 4.342 ( -3.938 10.322 4.140) 11.798 4.666 ( -3.691 1.990 -2.414) 4.839 4.863 ( -4.269 0.639 -5.896) 7.308 5.173 ( 8.069 6.454 4.411) 11.235 5.456 ( 6.313 1.328 -0.602) 6.479 5.668 ( 2.281 5.108 -12.494) 13.689 5.779 ( 8.174 5.393 2.211) 10.040 6.344 ( 7.656 -7.290 1.959) 10.752 6.414 ( -4.006 -4.558 -3.731) 7.123 6.548 ( 3.667 -4.772 -1.576) 6.221 7.186 ( -1.259 -6.057 -2.099) 6.533 7.264 ( 5.258 -6.560 1.334) 8.513 7.539 ( -5.979 5.338 -1.411) 8.139 7.625 ( -2.031 3.409 1.081) 4.113 7.737 ( -1.529 -0.782 -4.830) 5.127 7.829 ( 0.608 1.785 1.853) 2.643 8.362 ( 8.535 -6.323 -4.595) 11.573 8.534 ( 10.062 -1.675 -7.963) 12.940 9.074 ( -12.013 -3.146 2.749) 12.718 9.398 ( -9.623 0.047 4.772) 10.741 9.550 ( 0.500 -2.415 -0.529) 2.522 9.628 ( 0.897 -1.032 -0.490) 1.453 10.041 ( 1.075 2.779 11.278) 11.665 10.384 ( 4.496 7.537 1.120) 8.847 10.920 ( 1.927 -6.167 0.777) 6.508 11.132 ( 3.094 -12.299 -2.371) 12.902 11.896 ( -0.197 9.292 4.631) 10.384 12.181 ( -0.016 2.537 0.819) 2.666 12.402 ( -6.876 0.589 6.779) 9.674 13.221 ( -6.510 3.317 3.384) 8.052 13.502 ( 3.707 2.288 -9.720) 10.651 13.882 ( 6.165 -2.583 -1.130) 6.779 14.358 ( -12.083 -5.030 7.638) 15.154 15.050 ( 11.025 2.361 4.708) 12.218 15.423 ( 2.346 0.152 4.700) 5.255 15.475 ( -6.460 -1.189 -9.316) 11.399 16.841 ( 0.839 3.789 -0.232) 3.888 16.965 ( 1.872 1.985 -3.706) 4.602 ======================= Grid point 214 (118/164) ======================= q-point: (-0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -11.539 7.549 13.450) 19.263 1.971 ( -7.621 8.697 17.615) 21.071 2.358 ( 1.686 -6.767 8.023) 10.630 2.618 ( -1.583 -5.119 4.228) 6.825 3.217 ( -2.732 0.747 3.154) 4.239 3.333 ( -1.243 0.058 3.517) 3.731 3.602 ( 3.415 4.300 -5.779) 7.972 3.757 ( 5.292 1.133 2.075) 5.796 3.976 ( -0.657 7.057 2.738) 7.598 4.159 ( 1.684 -2.570 2.671) 4.071 4.317 ( -1.741 12.687 1.074) 12.850 4.581 ( -1.986 2.096 -1.606) 3.304 4.791 ( 1.051 -2.445 -6.464) 6.991 5.306 ( 2.907 6.313 -0.042) 6.950 5.450 ( 1.305 2.913 -8.484) 9.065 5.657 ( 2.050 3.100 -2.605) 4.538 6.096 ( 17.944 2.117 1.944) 18.172 6.197 ( -10.860 -8.021 -1.516) 13.586 6.541 ( 6.632 -3.217 -1.437) 7.510 6.626 ( 6.312 -2.953 -2.998) 7.587 7.171 ( 1.330 -7.050 -1.082) 7.256 7.384 ( 6.201 -7.778 1.032) 10.001 7.446 ( -4.049 3.375 0.973) 5.360 7.621 ( 1.132 5.699 2.455) 6.308 7.681 ( -0.284 -0.502 -4.298) 4.336 7.852 ( 0.003 0.662 1.388) 1.537 8.425 ( -1.067 -2.630 -0.800) 2.949 8.649 ( 6.275 -0.713 -6.633) 9.158 8.881 ( -6.236 -2.078 -2.745) 7.124 9.219 ( -11.384 0.019 3.834) 12.012 9.534 ( -1.075 -1.089 -3.293) 3.631 9.623 ( 0.095 -1.615 -3.230) 3.612 10.163 ( 2.842 2.520 11.813) 12.409 10.482 ( 5.297 7.699 -0.887) 9.387 10.985 ( 3.591 -6.411 2.193) 7.669 11.185 ( 3.471 -11.591 -0.597) 12.114 11.951 ( 2.242 9.041 5.676) 10.908 12.190 ( -0.264 2.650 3.007) 4.016 12.341 ( -3.093 -1.694 3.095) 4.692 12.975 ( -14.967 -1.578 -2.823) 15.312 13.553 ( 0.959 4.646 -2.525) 5.374 13.965 ( 2.728 -4.984 -0.147) 5.684 14.217 ( -5.914 -2.608 4.744) 8.018 14.984 ( -12.682 2.105 -17.660) 21.844 15.478 ( 14.311 -0.155 9.640) 17.255 15.659 ( 7.373 0.383 14.149) 15.959 16.851 ( 0.482 4.157 -0.948) 4.291 16.964 ( 0.955 1.956 -5.293) 5.724 ======================= Grid point 215 (119/164) ======================= q-point: (-0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.172 9.920 16.854) 19.557 1.977 ( -4.516 10.352 17.996) 21.247 2.460 ( 2.117 -5.508 8.732) 10.539 2.639 ( 0.289 -3.874 6.159) 7.282 3.196 ( -1.226 0.034 2.294) 2.602 3.323 ( -1.801 -1.027 1.244) 2.418 3.670 ( 6.488 5.015 -3.427) 8.887 3.882 ( 3.339 5.444 5.760) 8.600 3.957 ( -3.134 3.708 7.247) 8.723 4.196 ( 0.289 0.517 1.148) 1.291 4.282 ( -1.502 5.912 -2.303) 6.521 4.578 ( 1.690 4.286 0.563) 4.641 4.828 ( 7.090 -3.550 -5.073) 9.413 5.267 ( -2.337 7.812 -6.922) 10.696 5.454 ( 3.225 -0.056 -6.800) 7.526 5.723 ( 4.289 1.370 3.314) 5.591 5.943 ( -11.571 -10.291 -4.036) 16.003 6.431 ( 12.736 1.570 3.662) 13.345 6.564 ( -0.732 -0.209 -5.156) 5.212 6.746 ( 8.210 -1.947 -4.933) 9.774 7.195 ( 0.634 -9.368 -1.196) 9.465 7.364 ( -5.083 -3.110 0.869) 6.022 7.505 ( 6.389 -5.469 -3.264) 9.021 7.694 ( 3.046 5.151 2.690) 6.561 7.730 ( 6.285 3.932 3.903) 8.379 7.838 ( -0.344 1.520 -2.075) 2.595 8.329 ( -9.041 -1.797 5.816) 10.899 8.589 ( -9.710 3.466 3.526) 10.896 8.892 ( 9.136 -2.395 -8.469) 12.686 9.063 ( -4.119 -1.846 -4.110) 6.104 9.463 ( -3.077 0.577 -4.969) 5.872 9.597 ( -0.209 -2.472 -3.995) 4.702 10.282 ( 1.699 6.258 8.952) 11.054 10.548 ( 2.298 7.861 -2.689) 8.620 11.068 ( 2.509 -7.948 3.874) 9.191 11.251 ( 3.452 -11.540 0.100) 12.046 12.048 ( 3.330 6.903 6.484) 10.039 12.229 ( 2.875 1.571 2.212) 3.953 12.315 ( -2.704 -0.528 3.090) 4.140 12.697 ( -10.180 -1.473 -4.848) 11.371 13.447 ( -13.047 -3.944 7.050) 15.345 13.980 ( 1.097 0.907 -5.835) 6.006 14.211 ( 1.781 1.126 2.131) 2.997 14.621 ( -12.751 4.460 -11.557) 17.777 15.824 ( 10.294 0.296 11.928) 15.759 15.919 ( 11.982 -2.593 12.872) 17.776 16.841 ( -0.120 4.642 -3.004) 5.531 16.924 ( -0.769 1.188 -6.905) 7.048 ======================= Grid point 216 (120/164) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 7.899 10.176 9.612) 16.073 2.189 ( 2.605 0.359 6.238) 6.770 2.467 ( -0.426 0.231 9.176) 9.189 2.620 ( 2.499 -5.386 12.481) 13.821 3.183 ( -2.965 0.903 0.071) 3.101 3.257 ( 0.076 -2.304 -0.024) 2.305 3.918 ( 4.236 5.053 -2.083) 6.915 3.942 ( -6.437 2.287 9.120) 11.395 4.078 ( 5.969 -1.330 5.552) 8.259 4.182 ( 2.350 -1.076 0.875) 2.728 4.291 ( -9.442 4.042 -6.638) 12.229 4.697 ( 5.266 0.847 2.584) 5.926 5.000 ( 10.923 2.478 2.539) 11.485 5.303 ( -7.563 5.775 -5.418) 10.950 5.406 ( -0.355 -2.467 -6.476) 6.939 5.550 ( -2.529 -6.443 -6.141) 9.254 5.843 ( 4.637 -0.727 7.241) 8.629 6.515 ( 0.858 0.862 -7.940) 8.033 6.648 ( 2.745 2.282 -0.628) 3.625 6.776 ( 4.527 -2.954 -5.531) 7.734 7.046 ( -0.066 -2.090 -0.485) 2.146 7.137 ( -6.662 -4.907 -2.024) 8.518 7.551 ( 8.407 -1.503 -1.081) 8.608 7.693 ( -8.172 1.034 0.637) 8.261 7.915 ( -0.751 1.846 -2.977) 3.582 7.927 ( -0.574 0.441 -3.612) 3.684 8.216 ( 0.870 -0.340 11.544) 11.581 8.535 ( -7.921 2.123 11.445) 14.079 8.980 ( 9.215 -0.161 -5.761) 10.869 9.013 ( 6.319 -0.473 -11.844) 13.433 9.393 ( -3.220 0.981 -3.900) 5.151 9.499 ( 0.469 -2.754 -4.746) 5.507 10.538 ( 0.475 7.672 13.296) 15.358 10.695 ( -4.458 6.904 -0.294) 8.223 10.904 ( -2.395 -8.934 0.836) 9.287 11.095 ( 1.980 -6.442 -1.304) 6.864 12.173 ( 3.262 -0.399 2.418) 4.080 12.297 ( -3.518 1.378 0.537) 3.817 12.373 ( 1.973 2.121 3.555) 4.586 12.558 ( 2.089 -0.730 -2.718) 3.505 13.163 ( -13.348 -1.169 15.868) 20.768 14.034 ( 2.023 2.336 -9.912) 10.383 14.300 ( 3.377 0.555 1.921) 3.925 14.439 ( -7.223 1.358 -5.018) 8.899 16.006 ( -2.419 0.221 14.137) 14.344 16.190 ( 13.350 -1.088 8.509) 15.868 16.860 ( -0.612 0.686 -8.040) 8.092 16.873 ( -0.312 1.003 -6.478) 6.562 ======================= Grid point 217 (121/164) ======================= q-point: ( 0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 5.419 8.102 4.326) 10.664 2.313 ( 6.009 0.874 6.266) 8.726 2.514 ( 1.091 0.003 4.952) 5.071 2.730 ( 0.911 -3.243 8.238) 8.900 3.113 ( -3.613 -1.017 -0.520) 3.789 3.290 ( 2.898 -1.610 0.831) 3.418 3.792 ( -10.006 -1.531 8.703) 13.349 3.994 ( -6.838 6.830 4.191) 10.534 4.086 ( 0.196 4.376 -7.411) 8.609 4.201 ( 4.261 -3.932 -2.757) 6.421 4.287 ( 6.204 0.798 2.716) 6.819 4.812 ( 4.143 3.722 1.692) 5.821 5.088 ( -10.508 2.898 -5.247) 12.097 5.219 ( 9.506 4.688 1.301) 10.679 5.384 ( 2.869 -5.571 -4.490) 7.709 5.506 ( 0.824 -3.309 -4.265) 5.461 5.982 ( 4.259 -0.792 7.445) 8.614 6.442 ( -1.115 3.109 -11.452) 11.919 6.630 ( -3.708 -0.345 -1.121) 3.889 6.809 ( 1.809 -0.782 -5.331) 5.683 6.955 ( -6.517 -2.895 -0.617) 7.158 7.114 ( 2.616 -4.559 0.923) 5.337 7.533 ( -8.029 0.440 0.261) 8.046 7.684 ( 1.027 -0.843 -0.078) 1.331 7.768 ( -5.629 -0.267 -0.082) 5.635 7.808 ( -4.905 -2.524 -3.960) 6.791 8.390 ( 5.740 1.648 8.548) 10.428 8.552 ( 0.120 2.210 4.654) 5.153 9.045 ( 8.138 0.628 -12.985) 15.337 9.123 ( 5.711 -0.150 -0.693) 5.755 9.342 ( -0.852 -0.143 1.073) 1.378 9.489 ( 3.752 -1.919 -7.597) 8.688 10.535 ( -10.691 5.265 6.323) 13.491 10.590 ( -4.207 12.522 3.662) 13.708 10.863 ( -3.642 -12.757 5.041) 14.192 11.105 ( 0.503 -5.507 -2.743) 6.172 12.224 ( -3.237 0.457 4.233) 5.348 12.267 ( 2.048 1.832 -0.719) 2.840 12.433 ( 4.949 -0.555 1.055) 5.091 12.593 ( 1.610 0.787 -3.089) 3.571 13.126 ( -2.664 1.416 17.288) 17.550 13.994 ( 1.699 1.690 -8.852) 9.171 14.338 ( -2.050 1.112 -0.499) 2.385 14.376 ( 2.972 0.422 2.045) 3.632 15.957 ( -10.228 -0.569 7.498) 12.694 16.426 ( 4.495 -0.351 8.075) 9.248 16.814 ( 1.048 1.954 -8.770) 9.046 16.840 ( 2.898 -0.445 -6.238) 6.893 ======================= Grid point 218 (122/164) ======================= q-point: ( 0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 2.681 4.803 -1.061) 5.602 2.434 ( 0.818 0.944 3.515) 3.730 2.594 ( 4.525 0.681 3.085) 5.519 2.763 ( -0.645 -1.641 2.521) 3.076 3.078 ( -0.039 -1.782 2.894) 3.398 3.354 ( 1.500 -1.664 2.301) 3.211 3.702 ( -3.511 -1.994 5.533) 6.850 3.834 ( -7.952 1.443 0.019) 8.082 4.063 ( -0.276 5.809 -6.131) 8.450 4.262 ( 3.678 -0.633 -3.316) 4.993 4.405 ( 3.652 2.074 3.431) 5.422 4.790 ( -10.327 0.481 -2.322) 10.596 4.917 ( -0.772 6.522 -0.710) 6.605 5.306 ( 4.325 5.150 -10.468) 12.442 5.498 ( 6.099 -8.223 3.366) 10.777 5.507 ( 2.027 -1.050 -1.283) 2.619 6.076 ( -0.764 -0.162 7.332) 7.374 6.332 ( -2.009 3.335 -11.183) 11.842 6.535 ( -4.462 -0.814 0.188) 4.540 6.703 ( -8.173 1.972 -7.827) 11.487 6.868 ( -3.028 -4.138 2.534) 5.720 7.195 ( 4.009 -2.894 3.166) 5.871 7.411 ( -4.241 -1.807 -2.655) 5.319 7.586 ( -1.440 -2.123 0.200) 2.573 7.699 ( -2.032 -3.902 -1.587) 4.677 7.884 ( 7.661 -0.412 0.017) 7.672 8.477 ( -1.233 2.517 2.146) 3.530 8.509 ( -4.889 2.431 -3.171) 6.314 9.133 ( 5.986 2.035 -6.684) 9.200 9.193 ( 3.957 -2.475 -0.818) 4.738 9.378 ( 3.114 0.048 4.245) 5.265 9.543 ( 5.648 -1.810 -6.018) 8.449 10.338 ( -14.286 3.792 9.652) 17.653 10.536 ( -3.599 12.567 3.079) 13.430 10.828 ( -4.165 -12.322 5.230) 14.019 11.075 ( -0.913 -4.573 -4.727) 6.640 12.131 ( -7.457 1.228 4.225) 8.659 12.372 ( 8.614 2.352 0.020) 8.929 12.548 ( -1.271 1.508 -4.291) 4.722 12.570 ( 3.739 -1.133 5.273) 6.562 13.259 ( 5.131 3.120 11.255) 12.757 13.980 ( 1.088 -0.559 -5.540) 5.674 14.345 ( 2.990 1.378 0.877) 3.407 14.440 ( 1.853 0.329 3.282) 3.783 15.758 ( -12.879 -0.856 1.079) 12.953 16.439 ( -5.969 -0.023 1.381) 6.127 16.811 ( 4.402 2.812 -7.316) 8.990 16.878 ( 3.556 -1.306 -2.754) 4.683 ======================= Grid point 219 (123/164) ======================= q-point: ( 0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 0.711 3.394 -2.465) 4.254 2.375 ( -7.108 -0.312 1.274) 7.228 2.688 ( 2.533 1.240 -1.370) 3.135 2.749 ( -1.507 -1.994 -1.301) 2.818 3.157 ( 4.563 -0.799 6.114) 7.671 3.341 ( -4.789 -2.706 4.408) 7.049 3.719 ( -3.103 0.647 -1.942) 3.717 3.762 ( 6.347 0.102 -0.847) 6.404 3.989 ( -2.624 3.843 -5.840) 7.467 4.297 ( 2.744 2.269 -2.557) 4.383 4.441 ( -4.412 5.140 1.972) 7.055 4.564 ( -7.168 -4.771 -0.024) 8.611 4.944 ( 1.948 7.981 2.555) 8.603 5.286 ( 1.391 5.114 -11.208) 12.398 5.503 ( -1.218 -1.102 -2.524) 3.012 5.617 ( 2.898 -7.903 3.241) 9.020 6.032 ( -7.840 1.715 6.559) 10.365 6.204 ( -3.447 1.671 -12.350) 12.931 6.483 ( -3.712 1.899 -2.642) 4.936 6.522 ( -2.237 -0.654 -0.153) 2.336 6.863 ( 0.392 -4.184 2.836) 5.070 7.278 ( 0.368 0.085 -1.620) 1.663 7.345 ( 1.790 -5.364 0.848) 5.718 7.646 ( 6.364 -0.818 -1.590) 6.610 7.715 ( 4.028 -4.604 -0.033) 6.117 8.018 ( 7.046 -0.005 -1.832) 7.281 8.353 ( -7.331 2.710 -5.742) 9.698 8.379 ( -8.267 2.129 -3.330) 9.163 9.180 ( 1.597 2.033 3.294) 4.187 9.261 ( 3.678 -4.105 -1.840) 5.811 9.512 ( 7.987 0.849 0.180) 8.034 9.571 ( -0.076 -2.245 -2.338) 3.243 10.158 ( -13.013 3.117 15.096) 20.173 10.511 ( -1.385 12.315 2.344) 12.612 10.776 ( -3.823 -12.232 2.757) 13.108 11.013 ( -1.367 -4.096 -6.389) 7.712 12.041 ( -4.737 1.586 4.256) 6.562 12.414 ( -4.131 2.099 -6.203) 7.743 12.602 ( 9.120 3.986 4.066) 10.752 12.680 ( 2.239 -1.576 9.797) 10.172 13.437 ( 8.360 3.260 2.236) 9.248 13.929 ( -3.028 -2.332 -4.857) 6.181 14.461 ( 7.404 1.237 2.698) 7.977 14.497 ( 0.799 0.258 6.455) 6.510 15.517 ( -11.460 -0.669 -2.404) 11.728 16.271 ( -8.890 -0.139 -6.874) 11.238 16.848 ( 2.931 2.403 -3.866) 5.414 16.921 ( 2.445 -0.858 -1.621) 3.057 ======================= Grid point 220 (124/164) ======================= q-point: (-0.56 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -9.049 0.682 4.506) 10.132 2.294 ( -0.975 0.398 -2.388) 2.609 2.573 ( -10.857 2.016 -3.121) 11.475 2.722 ( -0.865 -2.741 -5.963) 6.619 3.274 ( -3.589 -2.193 2.402) 4.844 3.295 ( 3.183 -0.430 8.700) 9.274 3.672 ( 0.705 -0.216 -6.450) 6.492 3.836 ( 1.735 2.901 -5.565) 6.511 3.926 ( 0.076 3.588 -2.078) 4.147 4.217 ( -9.044 2.612 -0.244) 9.416 4.476 ( 10.582 0.005 2.065) 10.782 4.536 ( -1.008 -0.514 4.455) 4.597 5.022 ( 3.506 7.338 4.544) 9.316 5.211 ( -1.983 5.513 -7.215) 9.295 5.367 ( -9.977 -1.545 -3.682) 10.746 5.718 ( 7.646 -7.593 -0.137) 10.776 5.923 ( -6.942 2.453 4.761) 8.768 6.063 ( -1.643 2.575 -13.017) 13.370 6.434 ( 0.732 2.273 -1.578) 2.863 6.508 ( -2.153 -3.551 0.440) 4.176 6.916 ( 2.961 -4.144 2.929) 5.875 7.214 ( -2.034 -2.763 -4.882) 5.967 7.461 ( 5.493 -2.349 4.494) 7.476 7.745 ( 4.629 -0.124 -3.602) 5.867 7.832 ( 8.484 -2.236 -1.123) 8.845 8.099 ( -1.234 3.540 -6.132) 7.187 8.160 ( -9.226 1.158 -4.036) 10.137 8.210 ( 0.470 -1.353 -4.255) 4.489 9.237 ( -0.322 0.827 7.237) 7.291 9.323 ( 3.272 -3.732 1.596) 5.213 9.513 ( -3.346 -2.151 -1.136) 4.136 9.630 ( 3.476 0.324 -1.991) 4.018 10.074 ( -7.164 3.504 17.128) 18.893 10.482 ( -3.776 8.352 2.633) 9.536 10.749 ( 0.639 -8.819 -0.772) 8.875 10.949 ( -0.317 -4.166 -6.995) 8.148 12.011 ( -1.648 2.253 4.185) 5.030 12.292 ( -3.954 1.479 -4.971) 6.522 12.650 ( -7.914 2.392 14.330) 16.544 12.917 ( 15.050 1.598 2.421) 15.327 13.597 ( 8.758 2.654 -3.444) 9.778 13.802 ( -6.208 -3.161 -5.963) 9.170 14.541 ( -3.248 0.101 10.883) 11.358 14.644 ( 9.154 0.786 3.638) 9.882 15.321 ( -6.458 -0.318 -2.404) 6.898 16.029 ( -9.556 -0.557 -12.207) 15.512 16.865 ( 1.307 1.389 -2.331) 3.011 16.952 ( 2.162 0.295 -1.609) 2.711 ======================= Grid point 221 (125/164) ======================= q-point: (-0.44 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -9.328 -0.096 5.471) 10.814 2.247 ( -3.450 -0.821 0.788) 3.633 2.311 ( -13.841 4.103 1.257) 14.491 2.627 ( -4.628 -3.931 -3.766) 7.145 3.232 ( -1.745 -1.278 0.754) 2.291 3.376 ( -1.001 0.021 7.116) 7.186 3.648 ( 1.878 -0.551 -6.390) 6.683 3.770 ( -2.985 3.082 -5.695) 7.131 3.978 ( 4.955 4.206 0.437) 6.513 4.099 ( -3.007 -0.294 -0.396) 3.048 4.507 ( -2.916 2.521 4.313) 5.785 4.713 ( 6.094 0.620 1.051) 6.215 5.085 ( -7.169 4.368 -1.692) 8.563 5.146 ( 3.150 4.215 3.838) 6.513 5.253 ( 7.228 -0.690 -1.318) 7.379 5.845 ( -0.934 2.169 -1.712) 2.917 5.862 ( 3.899 1.668 -7.695) 8.786 6.002 ( 5.432 -2.129 -2.496) 6.346 6.414 ( -5.593 -5.534 -2.111) 8.146 6.471 ( 1.779 0.983 -0.435) 2.079 7.005 ( 4.199 -3.970 2.853) 6.444 7.146 ( -1.876 -3.582 -4.586) 6.114 7.582 ( 3.922 -1.148 3.465) 5.358 7.750 ( -0.854 0.573 -5.130) 5.232 7.901 ( -6.863 5.692 -3.813) 9.697 7.942 ( -4.596 2.997 -4.384) 7.023 8.065 ( 7.737 -6.208 -1.718) 10.067 8.337 ( 11.435 -1.205 -5.593) 12.786 9.203 ( -8.745 -0.860 6.161) 10.732 9.404 ( 2.672 -2.053 2.951) 4.479 9.478 ( 0.403 -1.946 0.299) 2.009 9.623 ( -2.784 -0.011 1.709) 3.267 10.088 ( -3.883 3.807 13.364) 14.429 10.445 ( -1.002 3.766 4.017) 5.597 10.776 ( 3.392 -4.253 -3.623) 6.536 10.915 ( 1.642 -4.750 -5.975) 7.808 12.026 ( 0.039 3.710 3.974) 5.437 12.212 ( -1.751 0.242 -2.406) 2.985 12.555 ( -10.965 1.667 11.832) 16.217 13.212 ( 12.035 2.739 4.603) 13.173 13.598 ( -5.988 -0.371 -8.843) 10.686 13.744 ( 6.490 -1.185 -4.638) 8.064 14.476 ( -11.478 -0.809 10.306) 15.447 14.854 ( 10.137 1.020 4.666) 11.206 15.284 ( 2.505 -0.095 3.635) 4.415 15.748 ( -10.228 -0.797 -15.295) 18.416 16.872 ( 0.904 0.845 -1.208) 1.730 16.982 ( 2.490 1.054 -2.528) 3.701 ======================= Grid point 222 (126/164) ======================= q-point: (-0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -11.885 2.947 4.160) 12.932 2.159 ( -6.845 4.781 10.424) 13.356 2.190 ( -4.032 -3.148 6.393) 8.188 2.530 ( -4.431 -4.748 1.582) 6.684 3.221 ( -0.265 -0.550 1.541) 1.657 3.366 ( -3.681 0.126 4.623) 5.911 3.668 ( 2.997 -0.171 -1.939) 3.574 3.693 ( -0.114 2.029 -5.792) 6.138 4.067 ( 3.509 3.213 -0.467) 4.781 4.077 ( 0.335 -0.423 0.230) 0.586 4.510 ( 1.616 3.952 2.333) 4.865 4.696 ( -5.679 0.950 1.260) 5.895 4.914 ( -6.985 2.918 -3.072) 8.170 5.265 ( 4.338 1.833 5.315) 7.101 5.508 ( 11.369 2.475 2.516) 11.904 5.780 ( 0.265 5.147 -17.100) 17.860 5.873 ( 7.889 2.016 -2.154) 8.423 6.203 ( 5.401 -3.675 2.668) 7.056 6.263 ( -2.960 -7.547 0.338) 8.114 6.520 ( 3.734 0.616 -1.283) 3.996 7.070 ( -0.939 -3.086 -3.107) 4.479 7.121 ( 4.338 -5.168 1.047) 6.828 7.629 ( -2.082 2.331 -1.642) 3.530 7.665 ( -2.167 -0.110 -2.214) 3.100 7.777 ( -2.475 4.085 -4.957) 6.884 7.849 ( -2.346 -0.696 1.351) 2.795 8.251 ( 10.617 -3.140 -2.638) 11.381 8.516 ( 11.257 -0.240 -6.598) 13.051 9.029 ( -11.580 -1.055 2.583) 11.912 9.392 ( -7.412 -0.256 4.100) 8.475 9.498 ( 0.777 -1.769 0.200) 1.943 9.606 ( 0.569 -0.712 -0.133) 0.921 10.105 ( -3.276 2.187 15.114) 15.619 10.514 ( 4.534 3.913 3.965) 7.182 10.823 ( 4.544 -2.595 -4.572) 6.949 10.931 ( 3.479 -5.605 -3.812) 7.619 12.062 ( 0.901 5.477 4.215) 6.970 12.193 ( 0.284 -1.056 0.394) 1.162 12.420 ( -9.807 0.663 7.556) 12.398 13.231 ( -12.862 -0.712 0.472) 12.890 13.600 ( 12.252 4.887 -6.398) 14.661 13.803 ( 1.330 -3.920 -2.003) 4.599 14.296 ( -11.907 -1.160 7.866) 14.317 15.086 ( 10.449 0.931 2.594) 10.806 15.430 ( 3.530 0.535 5.757) 6.775 15.452 ( -6.117 -0.923 -8.416) 10.445 16.885 ( 1.108 0.777 -0.706) 1.526 17.007 ( 2.301 1.307 -4.159) 4.929 ======================= Grid point 223 (127/164) ======================= q-point: (-0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -5.704 7.275 9.346) 13.146 2.118 ( -4.067 0.682 7.826) 8.846 2.233 ( 0.279 -0.200 15.080) 15.084 2.489 ( -2.884 -5.901 6.879) 9.511 3.232 ( -0.578 0.551 2.522) 2.646 3.319 ( -3.633 -0.790 3.226) 4.923 3.683 ( 4.513 2.648 -6.612) 8.432 3.756 ( 5.703 -0.724 1.811) 6.027 4.084 ( -1.019 0.267 2.619) 2.823 4.118 ( 2.345 1.344 -0.262) 2.715 4.569 ( -3.696 7.574 4.140) 9.390 4.623 ( 3.456 1.552 0.911) 3.897 4.771 ( -5.878 0.263 -3.877) 7.046 5.368 ( 3.438 0.401 2.019) 4.007 5.579 ( -0.936 7.515 -4.601) 8.861 5.690 ( 0.776 0.157 -7.963) 8.002 5.939 ( -7.009 -9.612 -8.107) 14.396 6.240 ( 13.361 5.461 5.549) 15.463 6.441 ( 6.967 -4.854 3.298) 9.109 6.605 ( 7.294 0.159 -4.167) 8.402 7.033 ( 0.246 -4.282 -3.322) 5.426 7.228 ( 5.041 -4.836 2.028) 7.274 7.510 ( -5.438 1.644 -4.733) 7.394 7.671 ( 2.577 -0.030 -0.466) 2.619 7.745 ( 2.562 4.183 -2.969) 5.734 7.850 ( -0.264 -0.868 2.371) 2.539 8.376 ( 1.620 -1.379 0.595) 2.209 8.655 ( 7.118 0.615 -5.103) 8.780 8.850 ( -5.305 -0.788 -2.932) 6.112 9.217 ( -12.657 -0.054 3.920) 13.251 9.503 ( 0.191 -1.238 -1.323) 1.822 9.592 ( -0.515 -0.905 -5.478) 5.576 10.207 ( 1.420 1.303 19.401) 19.497 10.634 ( 5.365 5.362 1.874) 7.813 10.882 ( 4.399 -2.828 -3.865) 6.503 10.987 ( 4.145 -6.163 -1.970) 7.684 12.115 ( 0.683 5.323 5.521) 7.700 12.217 ( 0.872 -0.055 2.656) 2.797 12.313 ( -4.353 -0.858 3.535) 5.673 12.937 ( -14.998 -1.341 -4.022) 15.585 13.623 ( -11.405 1.557 3.686) 12.087 13.878 ( 9.842 -2.132 -2.979) 10.502 14.202 ( -2.260 0.054 4.016) 4.609 15.016 ( -10.687 0.799 -16.946) 20.051 15.480 ( 13.241 0.139 8.374) 15.667 15.663 ( 7.257 0.058 14.552) 16.262 16.901 ( 1.033 0.937 -1.173) 1.823 17.002 ( 0.772 1.159 -6.375) 6.525 ======================= Grid point 224 (128/164) ======================= q-point: (-0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 3.034 9.808 11.421) 15.357 2.124 ( -0.505 0.131 6.854) 6.874 2.369 ( 1.802 1.402 15.739) 15.903 2.514 ( -0.508 -7.297 10.454) 12.759 3.221 ( -1.887 2.114 1.443) 3.180 3.279 ( -2.254 -2.659 1.159) 3.673 3.773 ( 8.822 3.792 -4.858) 10.761 3.905 ( 7.603 -0.796 4.201) 8.723 4.051 ( -6.420 1.642 6.907) 9.571 4.152 ( 1.055 -0.900 0.565) 1.497 4.486 ( -6.307 9.839 -1.568) 11.791 4.636 ( -2.536 -2.081 2.115) 3.903 4.793 ( 9.792 1.192 -0.422) 9.874 5.401 ( 0.336 1.266 -3.803) 4.022 5.489 ( -2.395 6.990 -8.858) 11.535 5.695 ( -4.922 -9.914 -2.101) 11.266 5.739 ( -1.314 -1.583 0.363) 2.089 6.487 ( 6.276 2.485 1.376) 6.889 6.557 ( 6.488 -0.072 -1.545) 6.670 6.710 ( 6.784 -1.263 -5.895) 9.076 7.034 ( 1.429 -4.647 -1.972) 5.247 7.280 ( -4.789 -3.210 1.404) 5.934 7.428 ( 4.440 -1.691 -5.035) 6.922 7.764 ( 4.082 1.732 0.901) 4.525 7.826 ( 4.989 3.128 1.470) 6.069 7.856 ( 3.415 0.216 -1.929) 3.929 8.294 ( -10.630 -1.021 6.256) 12.376 8.665 ( -6.923 2.691 4.551) 8.711 8.850 ( 7.987 -1.313 -7.662) 11.145 9.035 ( -3.959 -0.710 -4.788) 6.253 9.480 ( -1.529 1.225 -4.279) 4.706 9.530 ( -1.097 -3.124 -4.664) 5.720 10.389 ( 3.172 3.140 18.205) 18.744 10.717 ( 2.158 6.573 -0.165) 6.921 10.920 ( 1.567 -4.718 -2.425) 5.531 11.050 ( 3.438 -6.570 -1.009) 7.483 12.133 ( -1.316 1.178 3.966) 4.342 12.279 ( 3.635 2.501 3.719) 5.770 12.318 ( 0.472 0.434 3.901) 3.954 12.656 ( -9.870 -1.655 -5.264) 11.308 13.378 ( -17.564 -1.895 10.802) 20.707 14.011 ( 6.498 1.172 -6.047) 8.953 14.230 ( 2.262 0.526 2.179) 3.184 14.686 ( -11.758 1.581 -12.887) 17.517 15.831 ( 15.336 0.263 9.460) 18.021 15.886 ( 5.393 -0.709 15.592) 16.513 16.901 ( 0.370 1.229 -3.011) 3.273 16.946 ( -1.241 0.685 -8.318) 8.437 ======================= Grid point 252 (129/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 6.063 0.000 12.026) 13.468 2.036 ( -4.859 0.000 12.369) 13.289 2.563 ( -2.624 0.000 -1.680) 3.116 2.665 ( 4.113 0.000 -8.451) 9.399 3.242 ( -2.617 0.000 0.142) 2.621 3.258 ( 1.570 0.000 -1.621) 2.257 3.770 ( -1.172 0.000 5.761) 5.879 3.889 ( 1.449 0.000 -5.827) 6.005 3.971 ( 1.873 0.000 9.902) 10.078 4.159 ( 1.265 0.000 -8.312) 8.408 4.187 ( -5.980 0.000 19.605) 20.497 4.517 ( 7.305 0.000 -10.359) 12.676 4.877 ( -1.622 0.000 1.539) 2.236 4.948 ( 1.337 0.000 -5.124) 5.296 5.678 ( -6.369 0.000 1.195) 6.480 5.682 ( 12.988 0.000 0.784) 13.011 5.955 ( -0.949 0.000 3.434) 3.563 6.126 ( -5.675 0.000 -12.264) 13.513 6.722 ( 0.026 0.000 2.950) 2.950 6.790 ( 2.086 0.000 -3.972) 4.486 7.353 ( -2.991 0.000 -1.410) 3.307 7.390 ( 0.466 0.000 -4.944) 4.965 7.607 ( 4.243 0.000 1.534) 4.512 7.617 ( -3.484 0.000 0.677) 3.549 7.864 ( 6.616 0.000 2.286) 7.000 7.879 ( -2.456 0.000 0.786) 2.578 8.511 ( -5.378 0.000 9.760) 11.143 8.588 ( 2.732 0.000 5.856) 6.462 8.909 ( -3.868 0.000 -3.751) 5.388 8.989 ( 10.202 0.000 -7.790) 12.836 9.282 ( -5.073 0.000 -1.406) 5.264 9.299 ( -1.288 0.000 -3.689) 3.907 10.177 ( 1.760 0.000 2.285) 2.884 10.232 ( -2.891 0.000 -3.202) 4.314 11.495 ( -0.569 0.000 6.509) 6.534 11.623 ( 1.619 0.000 -5.462) 5.697 12.100 ( 0.929 0.000 7.415) 7.473 12.234 ( 3.732 0.000 -3.910) 5.405 12.359 ( -10.885 0.000 -0.753) 10.911 12.380 ( 6.324 0.000 -1.621) 6.528 13.532 ( -21.719 0.000 3.080) 21.937 13.589 ( 13.886 0.000 -2.451) 14.101 14.273 ( 3.446 0.000 1.744) 3.862 14.301 ( -3.505 0.000 -0.871) 3.611 16.257 ( -1.649 0.000 12.122) 12.234 16.458 ( 10.532 0.000 -6.525) 12.389 16.587 ( -4.581 0.000 3.058) 5.508 16.673 ( -0.050 0.000 -5.775) 5.775 ======================= Grid point 253 (130/164) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.011 0.000 4.385) 4.385 2.234 ( 9.547 0.000 3.372) 10.124 2.542 ( 0.769 0.000 -0.369) 0.853 2.694 ( 4.992 0.000 -7.028) 8.621 3.199 ( -2.029 0.000 0.238) 2.042 3.267 ( -0.172 0.000 0.768) 0.787 3.748 ( -4.873 0.000 5.405) 7.278 3.838 ( -2.038 0.000 -6.419) 6.735 4.082 ( 3.929 0.000 6.301) 7.426 4.132 ( 2.208 0.000 -10.801) 11.024 4.164 ( -9.360 0.000 15.915) 18.464 4.529 ( 3.059 0.000 -14.951) 15.260 4.857 ( -2.714 0.000 3.084) 4.108 4.947 ( 2.105 0.000 -3.415) 4.012 5.468 ( -11.699 0.000 -3.239) 12.139 5.848 ( 3.331 0.000 -11.188) 11.673 6.037 ( 5.332 0.000 1.306) 5.490 6.087 ( 6.451 0.000 10.038) 11.932 6.623 ( -10.740 0.000 3.300) 11.236 6.693 ( -8.046 0.000 -6.967) 10.643 7.293 ( -3.344 0.000 3.173) 4.610 7.369 ( 0.351 0.000 -1.517) 1.557 7.618 ( 1.820 0.000 -0.271) 1.840 7.751 ( 8.598 0.000 1.057) 8.663 7.801 ( -3.449 0.000 -3.409) 4.849 7.947 ( 1.595 0.000 -3.724) 4.051 8.491 ( -4.482 0.000 5.063) 6.762 8.616 ( -4.742 0.000 4.467) 6.515 8.876 ( 5.793 0.000 -6.429) 8.654 9.086 ( 7.675 0.000 -7.129) 10.475 9.259 ( 1.384 0.000 5.653) 5.820 9.351 ( 5.806 0.000 2.565) 6.348 10.138 ( -5.154 0.000 -1.084) 5.266 10.203 ( -1.047 0.000 2.982) 3.160 11.510 ( -2.075 0.000 5.946) 6.298 11.599 ( 0.837 0.000 -7.317) 7.365 12.092 ( -5.334 0.000 4.377) 6.900 12.128 ( -7.195 0.000 -7.002) 10.040 12.319 ( 2.693 0.000 1.334) 3.005 12.570 ( 11.980 0.000 2.708) 12.283 13.218 ( -15.407 0.000 8.827) 17.756 13.871 ( 14.856 0.000 3.470) 15.256 14.241 ( -1.747 0.000 -0.947) 1.987 14.354 ( 3.710 0.000 1.707) 4.084 16.156 ( -13.652 0.000 3.359) 14.059 16.413 ( -3.816 0.000 -13.413) 13.946 16.599 ( 1.293 0.000 6.961) 7.080 16.745 ( 7.078 0.000 -3.461) 7.879 ======================= Grid point 254 (131/164) ======================= q-point: ( 0.22 0.00 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 4.422 0.000 -0.655) 4.470 2.396 ( 8.251 0.000 -5.828) 10.101 2.563 ( 1.512 0.000 -1.812) 2.360 2.751 ( 3.063 0.000 -1.977) 3.646 3.172 ( -0.417 0.000 -1.116) 1.191 3.267 ( -1.446 0.000 3.474) 3.763 3.676 ( -5.852 0.000 4.555) 7.416 3.738 ( -3.355 0.000 -7.029) 7.789 4.059 ( -11.415 0.000 12.615) 17.013 4.085 ( 1.311 0.000 -12.287) 12.356 4.203 ( 4.975 0.000 4.235) 6.534 4.454 ( 1.372 0.000 -16.249) 16.307 4.809 ( -4.695 0.000 4.123) 6.248 4.979 ( 2.471 0.000 -1.593) 2.940 5.249 ( -8.432 0.000 -3.077) 8.976 5.772 ( 1.428 0.000 -13.575) 13.650 6.216 ( 5.281 0.000 4.931) 7.225 6.226 ( -3.350 0.000 8.739) 9.359 6.446 ( -8.732 0.000 -9.454) 12.869 6.476 ( -3.654 0.000 7.529) 8.369 7.282 ( -1.073 0.000 5.594) 5.696 7.386 ( 1.003 0.000 2.019) 2.255 7.635 ( 0.600 0.000 -3.852) 3.899 7.698 ( -3.296 0.000 -6.310) 7.119 7.883 ( -2.977 0.000 -6.932) 7.544 7.904 ( 5.745 0.000 -2.006) 6.085 8.406 ( -5.374 0.000 1.850) 5.683 8.490 ( -8.948 0.000 2.130) 9.198 9.051 ( 14.344 0.000 -3.362) 14.733 9.232 ( 9.954 0.000 -0.905) 9.995 9.368 ( 4.056 0.000 7.783) 8.777 9.487 ( 6.111 0.000 1.968) 6.420 10.034 ( -5.791 0.000 1.682) 6.031 10.175 ( -3.951 0.000 2.990) 4.955 11.504 ( -2.689 0.000 5.561) 6.177 11.573 ( 2.646 0.000 -8.902) 9.287 11.952 ( -6.299 0.000 -6.575) 9.106 11.978 ( -8.839 0.000 2.820) 9.278 12.399 ( 4.817 0.000 1.161) 4.955 12.808 ( 4.706 0.000 12.996) 13.822 13.085 ( -1.587 0.000 3.575) 3.911 14.078 ( 1.111 0.000 0.080) 1.114 14.320 ( 11.550 0.000 7.547) 13.797 14.435 ( 3.499 0.000 2.218) 4.143 15.855 ( -17.230 0.000 -2.596) 17.424 16.221 ( -5.751 0.000 -14.682) 15.768 16.674 ( 0.870 0.000 7.129) 7.181 16.823 ( 4.188 0.000 -4.906) 6.450 ======================= Grid point 255 (132/164) ======================= q-point: ( 0.33 0.00 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 6.183 0.000 -1.123) 6.285 2.479 ( 5.897 0.000 -7.834) 9.805 2.559 ( 0.260 0.000 -4.314) 4.322 2.715 ( -6.870 0.000 -1.280) 6.988 3.180 ( 2.901 0.000 -2.803) 4.034 3.255 ( -2.624 0.000 4.098) 4.866 3.600 ( -4.961 0.000 2.614) 5.608 3.629 ( -2.615 0.000 -7.283) 7.738 3.931 ( -10.262 0.000 12.014) 15.800 4.028 ( 1.686 0.000 -11.478) 11.601 4.321 ( 4.375 0.000 3.649) 5.697 4.399 ( 3.743 0.000 -12.198) 12.759 4.760 ( -2.675 0.000 4.362) 5.116 4.989 ( -0.753 0.000 -1.565) 1.737 5.125 ( -3.437 0.000 0.411) 3.461 5.751 ( 4.231 0.000 -11.261) 12.029 6.065 ( -10.500 0.000 -10.810) 15.070 6.082 ( -13.056 0.000 7.717) 15.166 6.478 ( 7.134 0.000 3.574) 7.979 6.584 ( 4.272 0.000 8.962) 9.929 7.316 ( 0.340 0.000 4.794) 4.807 7.420 ( 0.004 0.000 2.935) 2.935 7.561 ( -3.004 0.000 -9.969) 10.412 7.587 ( -2.156 0.000 -10.376) 10.598 7.809 ( -1.072 0.000 -1.329) 1.707 7.924 ( -1.068 0.000 -2.643) 2.850 8.354 ( -1.979 0.000 2.797) 3.426 8.360 ( -5.061 0.000 0.654) 5.103 9.308 ( 12.641 0.000 0.491) 12.651 9.412 ( 8.021 0.000 1.516) 8.163 9.492 ( 4.402 0.000 4.654) 6.406 9.596 ( 4.801 0.000 -0.421) 4.819 9.949 ( -5.198 0.000 4.387) 6.802 10.103 ( -5.261 0.000 2.246) 5.720 11.481 ( -3.654 0.000 5.254) 6.400 11.582 ( 4.658 0.000 -9.686) 10.748 11.811 ( -4.446 0.000 -4.384) 6.244 11.820 ( -8.842 0.000 2.336) 9.146 12.520 ( 7.384 0.000 0.713) 7.418 12.836 ( -10.009 0.000 17.216) 19.914 13.252 ( 14.367 0.000 -0.070) 14.367 14.015 ( -4.539 0.000 -3.623) 5.807 14.522 ( 3.975 0.000 3.644) 5.393 14.642 ( 11.583 0.000 13.751) 17.980 15.511 ( -14.777 0.000 -5.735) 15.851 16.004 ( -6.267 0.000 -15.813) 17.010 16.722 ( -0.400 0.000 5.890) 5.904 16.846 ( 2.145 0.000 -5.217) 5.641 ======================= Grid point 256 (133/164) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 3.590 0.000 4.056) 5.417 2.493 ( -14.874 0.000 0.538) 14.884 2.522 ( 3.550 0.000 -5.290) 6.371 2.526 ( 0.891 0.000 -6.322) 6.385 3.222 ( -3.161 0.000 2.594) 4.089 3.234 ( 4.928 0.000 -4.221) 6.488 3.516 ( -4.981 0.000 1.376) 5.168 3.558 ( 0.242 0.000 -5.912) 5.917 3.844 ( -7.783 0.000 11.818) 14.150 4.007 ( 3.777 0.000 -9.424) 10.153 4.388 ( -0.684 0.000 2.667) 2.754 4.428 ( 5.483 0.000 -6.811) 8.744 4.786 ( 2.207 0.000 3.916) 4.495 4.935 ( -2.834 0.000 -2.925) 4.073 5.149 ( 4.359 0.000 6.727) 8.016 5.623 ( -9.518 0.000 -12.997) 16.110 5.903 ( -11.474 0.000 8.723) 14.413 5.967 ( 8.355 0.000 -10.348) 13.299 6.622 ( 4.951 0.000 4.224) 6.508 6.688 ( 1.080 0.000 5.091) 5.205 7.330 ( -0.943 0.000 -0.893) 1.299 7.362 ( -4.407 0.000 -6.263) 7.658 7.486 ( -0.677 0.000 0.410) 0.791 7.510 ( 1.114 0.000 -6.384) 6.481 7.810 ( 0.805 0.000 1.222) 1.463 7.870 ( -2.856 0.000 -0.487) 2.897 8.322 ( 1.054 0.000 -0.820) 1.335 8.346 ( 0.021 0.000 -0.466) 0.467 9.486 ( 3.545 0.000 4.228) 5.517 9.533 ( 3.351 0.000 2.059) 3.934 9.599 ( 4.954 0.000 -0.473) 4.976 9.646 ( 0.400 0.000 -2.011) 2.050 9.916 ( -1.134 0.000 5.683) 5.795 10.023 ( -3.484 0.000 0.321) 3.499 11.446 ( -4.144 0.000 6.564) 7.762 11.571 ( -2.187 0.000 -3.574) 4.190 11.730 ( -1.412 0.000 -2.378) 2.766 11.733 ( 1.239 0.000 -3.387) 3.607 12.685 ( 9.761 0.000 -0.364) 9.768 12.735 ( -10.684 0.000 11.927) 16.012 13.530 ( 13.063 0.000 2.981) 13.399 13.868 ( -7.956 0.000 -5.363) 9.594 14.650 ( 6.594 0.000 5.896) 8.846 14.844 ( -1.552 0.000 8.219) 8.364 15.310 ( -1.003 0.000 0.919) 1.360 15.764 ( -7.584 0.000 -16.775) 18.410 16.743 ( -1.138 0.000 4.823) 4.955 16.844 ( 1.481 0.000 -4.863) 5.083 ======================= Grid point 257 (134/164) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -16.761 0.000 7.338) 18.297 2.330 ( -7.161 0.000 11.521) 13.565 2.547 ( 2.120 0.000 -2.921) 3.609 2.568 ( 8.377 0.000 -5.633) 10.094 3.180 ( -2.305 0.000 0.932) 2.486 3.297 ( 4.579 0.000 -4.319) 6.294 3.457 ( -2.172 0.000 3.128) 3.808 3.566 ( 3.941 0.000 -3.340) 5.166 3.792 ( -6.152 0.000 11.474) 13.019 4.043 ( 6.071 0.000 -7.846) 9.921 4.321 ( -7.607 0.000 3.115) 8.220 4.476 ( 2.940 0.000 -5.265) 6.030 4.865 ( -1.548 0.000 -3.822) 4.123 4.877 ( 4.405 0.000 2.944) 5.298 5.362 ( -6.741 0.000 -13.016) 14.658 5.379 ( 12.407 0.000 9.945) 15.900 5.771 ( -8.303 0.000 8.239) 11.696 6.100 ( 11.550 0.000 -9.760) 15.122 6.681 ( -3.514 0.000 -0.488) 3.548 6.717 ( 2.461 0.000 2.316) 3.379 7.274 ( -1.676 0.000 1.065) 1.986 7.296 ( -0.533 0.000 -0.755) 0.924 7.479 ( -0.208 0.000 -0.990) 1.012 7.521 ( 1.979 0.000 -2.607) 3.273 7.820 ( -2.286 0.000 0.428) 2.326 7.843 ( 1.170 0.000 2.164) 2.460 8.357 ( 3.385 0.000 -4.364) 5.523 8.370 ( 4.564 0.000 -2.805) 5.357 9.503 ( -4.506 0.000 4.181) 6.147 9.551 ( -9.605 0.000 0.539) 9.620 9.576 ( 0.731 0.000 -0.827) 1.104 9.639 ( -0.025 0.000 -0.493) 0.494 9.996 ( 1.195 0.000 -2.243) 2.541 9.998 ( 5.855 0.000 2.900) 6.534 11.409 ( -5.518 0.000 9.156) 10.690 11.506 ( -2.579 0.000 1.859) 3.179 11.742 ( 4.508 0.000 -2.052) 4.953 11.768 ( 4.430 0.000 -6.381) 7.768 12.608 ( -9.175 0.000 7.226) 11.679 12.873 ( 10.537 0.000 -1.586) 10.656 13.638 ( -11.889 0.000 -6.942) 13.767 13.769 ( 9.600 0.000 3.716) 10.294 14.734 ( -8.175 0.000 -1.564) 8.324 14.860 ( 10.683 0.000 6.247) 12.375 15.455 ( 7.380 0.000 12.171) 14.233 15.486 ( -9.771 0.000 -15.354) 18.200 16.749 ( -1.463 0.000 4.355) 4.594 16.840 ( 1.500 0.000 -4.561) 4.802 ======================= Grid point 258 (135/164) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -14.419 0.000 14.647) 20.553 2.237 ( -10.944 0.000 14.069) 17.824 2.567 ( 1.644 0.000 -1.105) 1.981 2.702 ( 6.022 0.000 -0.089) 6.023 3.155 ( -0.239 0.000 -0.407) 0.472 3.341 ( 2.248 0.000 -2.144) 3.106 3.484 ( 1.974 0.000 4.487) 4.902 3.650 ( 6.466 0.000 -2.181) 6.824 3.774 ( -4.206 0.000 12.810) 13.483 4.121 ( 7.439 0.000 -6.788) 10.070 4.190 ( -8.624 0.000 6.863) 11.021 4.443 ( -1.731 0.000 -7.244) 7.448 4.850 ( 3.164 0.000 -4.149) 5.218 4.967 ( 2.820 0.000 0.892) 2.958 5.225 ( 0.318 0.000 -9.023) 9.028 5.579 ( -1.676 0.000 5.582) 5.828 5.835 ( 12.876 0.000 10.469) 16.595 6.258 ( 11.878 0.000 -8.918) 14.853 6.559 ( -7.570 0.000 -3.451) 8.320 6.726 ( -1.451 0.000 -3.647) 3.925 7.321 ( 2.935 0.000 7.353) 7.917 7.335 ( 2.404 0.000 7.443) 7.822 7.468 ( 0.753 0.000 -3.212) 3.299 7.522 ( 0.361 0.000 -4.333) 4.348 7.791 ( -1.421 0.000 1.255) 1.896 7.875 ( 0.041 0.000 2.842) 2.842 8.427 ( 3.423 0.000 -4.306) 5.501 8.429 ( 8.125 0.000 -6.355) 10.315 9.305 ( -15.902 0.000 0.895) 15.927 9.388 ( -9.692 0.000 3.493) 10.302 9.565 ( -0.855 0.000 -2.534) 2.675 9.614 ( -1.857 0.000 -1.618) 2.463 10.021 ( 2.755 0.000 -2.499) 3.720 10.134 ( 7.023 0.000 -0.479) 7.039 11.375 ( -4.286 0.000 9.602) 10.515 11.515 ( 1.534 0.000 2.935) 3.312 11.795 ( 2.292 0.000 -3.330) 4.042 11.857 ( 8.159 0.000 -1.154) 8.240 12.498 ( -6.109 0.000 3.017) 6.814 13.049 ( 8.541 0.000 -1.526) 8.676 13.335 ( -13.578 0.000 -9.331) 16.475 13.942 ( 6.351 0.000 3.107) 7.070 14.584 ( -6.073 0.000 -2.135) 6.437 14.947 ( -8.265 0.000 -14.093) 16.338 15.370 ( 9.936 0.000 6.399) 11.818 15.685 ( 6.966 0.000 14.421) 16.016 16.747 ( -1.973 0.000 4.354) 4.780 16.835 ( 1.276 0.000 -4.939) 5.101 ======================= Grid point 259 (136/164) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -9.648 0.000 18.052) 20.469 2.131 ( -10.985 0.000 16.808) 20.079 2.600 ( 2.529 0.000 -1.101) 2.758 2.744 ( -2.075 0.000 0.285) 2.095 3.176 ( 3.016 0.000 -1.542) 3.388 3.342 ( -0.671 0.000 -2.391) 2.484 3.583 ( 3.816 0.000 7.657) 8.555 3.762 ( 6.999 0.000 -3.353) 7.761 3.809 ( -1.844 0.000 13.648) 13.772 4.120 ( -5.640 0.000 12.841) 14.025 4.225 ( 6.519 0.000 -4.602) 7.980 4.352 ( -0.224 0.000 -8.944) 8.947 4.908 ( 5.151 0.000 -5.081) 7.235 4.973 ( -1.934 0.000 -0.917) 2.141 5.251 ( 7.178 0.000 -3.697) 8.074 5.579 ( -0.029 0.000 5.384) 5.384 6.208 ( 16.792 0.000 7.114) 18.237 6.363 ( -9.935 0.000 -2.820) 10.327 6.406 ( 7.893 0.000 -8.417) 11.538 6.638 ( -1.352 0.000 -7.237) 7.362 7.410 ( 2.535 0.000 -4.099) 4.819 7.462 ( 2.866 0.000 10.805) 11.179 7.480 ( -0.404 0.000 -6.469) 6.481 7.516 ( 4.914 0.000 7.570) 9.025 7.791 ( 0.262 0.000 3.075) 3.086 7.865 ( -3.624 0.000 2.396) 4.344 8.441 ( 1.089 0.000 -1.754) 2.065 8.570 ( 10.645 0.000 -6.049) 12.243 8.993 ( -17.252 0.000 2.329) 17.408 9.213 ( -9.850 0.000 1.013) 9.902 9.507 ( -2.415 0.000 -5.524) 6.029 9.542 ( -4.134 0.000 -3.043) 5.133 10.062 ( 2.957 0.000 -1.014) 3.126 10.241 ( 5.146 0.000 -3.103) 6.009 11.387 ( -1.040 0.000 8.633) 8.696 11.574 ( 2.700 0.000 0.246) 2.711 11.841 ( 3.612 0.000 2.850) 4.601 12.012 ( 8.315 0.000 -0.459) 8.328 12.416 ( -3.690 0.000 -0.221) 3.697 12.958 ( -16.993 0.000 -1.917) 17.101 13.231 ( 10.435 0.000 -9.790) 14.309 14.054 ( 3.550 0.000 1.702) 3.937 14.472 ( -4.749 0.000 -1.324) 4.931 14.538 ( -20.104 0.000 -13.438) 24.182 15.752 ( 20.461 0.000 7.542) 21.807 15.911 ( 6.284 0.000 14.878) 16.150 16.728 ( -3.313 0.000 4.263) 5.399 16.813 ( 0.193 0.000 -6.094) 6.097 ======================= Grid point 260 (137/164) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.882 0.000 17.025) 17.129 2.061 ( -8.610 0.000 17.158) 19.197 2.639 ( 3.503 0.000 -4.724) 5.881 2.657 ( -5.266 0.000 -1.770) 5.555 3.227 ( 3.205 0.000 -2.307) 3.949 3.295 ( -2.480 0.000 -1.213) 2.761 3.707 ( 3.129 0.000 6.868) 7.547 3.857 ( 5.550 0.000 -4.822) 7.352 3.880 ( -0.525 0.000 13.156) 13.167 4.143 ( -4.005 0.000 18.594) 19.021 4.212 ( -1.367 0.000 -6.357) 6.502 4.411 ( 9.539 0.000 -7.631) 12.216 4.914 ( -2.845 0.000 -0.379) 2.870 4.948 ( 2.903 0.000 -5.593) 6.302 5.432 ( 12.335 0.000 -0.033) 12.335 5.650 ( 2.565 0.000 6.060) 6.580 6.114 ( -11.282 0.000 -4.042) 11.984 6.329 ( -5.799 0.000 -12.114) 13.430 6.561 ( 12.727 0.000 5.769) 13.974 6.697 ( 8.793 0.000 -4.088) 9.697 7.405 ( 1.966 0.000 -7.086) 7.353 7.416 ( -1.276 0.000 -5.820) 5.958 7.554 ( 0.341 0.000 5.963) 5.973 7.682 ( 4.320 0.000 6.851) 8.099 7.763 ( -5.938 0.000 0.998) 6.022 7.851 ( 2.348 0.000 5.050) 5.569 8.485 ( 2.920 0.000 4.754) 5.579 8.626 ( -9.030 0.000 3.311) 9.618 8.832 ( 6.755 0.000 -3.122) 7.442 9.043 ( -7.550 0.000 -2.344) 7.905 9.401 ( -3.776 0.000 -7.390) 8.299 9.418 ( -6.274 0.000 -3.666) 7.266 10.118 ( 2.921 0.000 0.885) 3.052 10.276 ( 1.131 0.000 -4.072) 4.226 11.443 ( 0.670 0.000 7.423) 7.453 11.611 ( 2.486 0.000 -3.162) 4.022 11.971 ( 5.708 0.000 7.135) 9.137 12.150 ( 6.413 0.000 -0.933) 6.480 12.358 ( -1.287 0.000 -1.931) 2.320 12.627 ( -15.405 0.000 -2.770) 15.652 13.383 ( 11.597 0.000 -6.951) 13.521 13.957 ( -19.218 0.000 -4.964) 19.848 14.219 ( -1.234 0.000 0.853) 1.500 14.381 ( -4.218 0.000 -0.838) 4.300 16.119 ( 4.756 0.000 14.640) 15.393 16.170 ( 19.286 0.000 1.745) 19.365 16.673 ( -5.415 0.000 3.477) 6.435 16.754 ( -1.568 0.000 -7.420) 7.584 ======================= Grid point 261 (138/164) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 3.537 1.566 14.746) 15.245 2.138 ( -1.911 6.065 6.109) 8.818 2.553 ( -2.564 -0.105 1.389) 2.918 2.700 ( 3.756 2.421 -8.254) 9.386 3.242 ( -2.733 -0.719 -0.039) 2.826 3.260 ( 2.179 0.844 -1.291) 2.670 3.767 ( -0.633 0.165 6.162) 6.197 3.907 ( 1.811 1.831 -6.765) 7.239 4.055 ( 0.774 6.789 10.014) 12.124 4.165 ( -4.294 0.144 8.551) 9.569 4.241 ( -1.557 4.197 2.321) 5.043 4.500 ( 7.015 -0.585 -10.208) 12.400 4.897 ( 1.001 1.820 1.173) 2.385 4.962 ( 0.043 1.551 -4.861) 5.103 5.568 ( 6.582 -5.454 4.072) 9.468 5.683 ( -5.536 -3.472 -5.932) 8.826 5.986 ( 3.980 2.689 7.018) 8.504 6.185 ( -5.462 4.043 -11.551) 13.402 6.700 ( 0.631 -1.824 2.907) 3.490 6.769 ( 2.063 -1.766 -4.111) 4.927 7.297 ( -3.282 -4.856 -0.047) 5.861 7.344 ( 1.247 -4.271 -4.497) 6.326 7.617 ( 1.871 0.642 1.219) 2.324 7.629 ( -2.387 0.772 0.036) 2.509 7.849 ( 2.900 -0.834 2.057) 3.652 7.873 ( 0.787 -0.506 -0.259) 0.971 8.496 ( -4.111 -1.202 10.678) 11.505 8.606 ( 0.654 1.678 4.693) 5.026 8.869 ( -2.808 -3.111 -4.601) 6.223 8.938 ( 8.129 -3.352 -6.907) 11.181 9.313 ( 1.099 2.705 0.493) 2.961 9.376 ( -4.510 4.475 -5.504) 8.406 10.235 ( 0.622 5.761 2.765) 6.421 10.296 ( -2.085 5.862 -3.218) 7.004 11.405 ( -0.732 -7.424 5.564) 9.306 11.510 ( 1.662 -9.319 -4.281) 10.389 12.173 ( 0.768 5.413 6.804) 8.728 12.280 ( 4.125 2.353 -2.871) 5.550 12.329 ( -4.219 -0.979 2.920) 5.223 12.413 ( -0.257 2.212 -5.309) 5.757 13.505 ( -13.985 -1.484 6.805) 15.624 13.636 ( 6.729 3.499 -6.096) 9.731 14.287 ( 3.434 1.209 1.727) 4.029 14.317 ( -3.627 1.339 -1.072) 4.012 16.257 ( -2.566 0.037 11.513) 11.796 16.412 ( 9.789 -3.046 -1.716) 10.395 16.636 ( -3.822 3.323 -1.417) 5.259 16.683 ( 0.681 0.842 -5.441) 5.548 ======================= Grid point 262 (139/164) ======================= q-point: ( 0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.245 3.082 1.808) 3.582 2.257 ( 8.823 2.111 3.107) 9.589 2.552 ( 0.356 1.085 3.299) 3.491 2.716 ( 4.092 1.668 -7.997) 9.136 3.170 ( -3.364 -0.950 -0.013) 3.496 3.317 ( 2.914 2.410 0.146) 3.785 3.762 ( -3.806 1.870 5.309) 6.795 3.854 ( -1.980 0.918 -7.130) 7.456 4.090 ( -4.845 -0.340 6.419) 8.049 4.162 ( -0.648 3.685 6.054) 7.117 4.227 ( -0.295 5.120 0.536) 5.156 4.532 ( 4.708 0.738 -13.159) 13.996 4.832 ( -5.821 -1.185 -1.479) 6.122 4.981 ( 2.464 2.944 -1.340) 4.066 5.459 ( -7.749 -0.531 -3.913) 8.697 5.798 ( 8.603 -5.484 -0.004) 10.202 6.033 ( -1.655 2.538 -6.929) 7.563 6.153 ( 6.007 2.975 8.835) 11.090 6.613 ( -8.923 -0.764 1.022) 9.014 6.691 ( -7.203 -0.024 -5.604) 9.127 7.247 ( -2.493 -4.278 2.901) 5.738 7.342 ( -0.063 -2.759 -1.047) 2.952 7.574 ( 0.521 -3.201 0.406) 3.269 7.756 ( 3.554 -0.616 1.410) 3.873 7.790 ( 0.157 -0.155 -2.910) 2.919 7.925 ( 1.197 -2.193 -3.461) 4.268 8.493 ( -4.118 0.284 6.504) 7.703 8.562 ( -7.251 -2.968 2.602) 8.256 8.856 ( 6.636 -1.734 -7.087) 9.862 9.102 ( 12.123 0.278 -3.535) 12.631 9.296 ( -0.706 3.583 -0.420) 3.676 9.396 ( 4.874 2.775 3.932) 6.849 10.199 ( -5.078 5.778 0.341) 7.700 10.261 ( -1.632 5.491 2.351) 6.192 11.402 ( -2.921 -8.661 4.382) 10.136 11.488 ( -0.307 -9.143 -5.452) 10.650 12.156 ( -4.090 4.221 3.363) 6.772 12.191 ( -6.063 4.590 -4.408) 8.790 12.349 ( 2.378 2.916 -0.274) 3.772 12.550 ( 11.470 -1.804 2.164) 11.811 13.260 ( -13.349 3.918 9.847) 17.044 13.860 ( 13.603 -0.926 1.636) 13.732 14.256 ( -1.652 1.324 -0.988) 2.336 14.368 ( 3.794 1.263 1.859) 4.410 16.122 ( -14.021 -2.512 1.842) 14.363 16.452 ( -3.529 2.982 -12.794) 13.602 16.597 ( 2.336 -0.142 7.112) 7.487 16.755 ( 6.213 0.882 -2.431) 6.729 ======================= Grid point 263 (140/164) ======================= q-point: ( 0.22 0.14 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 4.067 0.878 -3.937) 5.728 2.404 ( 5.472 0.533 -2.046) 5.866 2.585 ( 1.898 1.773 -1.647) 3.075 2.749 ( 2.465 -0.187 -2.888) 3.801 3.129 ( -0.668 -0.709 0.136) 0.984 3.365 ( 1.693 4.789 0.833) 5.148 3.703 ( -5.027 2.333 2.344) 6.017 3.754 ( -3.527 1.376 -5.549) 6.718 4.008 ( -8.111 -2.940 7.832) 11.652 4.120 ( -3.176 3.289 -3.968) 6.054 4.290 ( 4.308 6.301 2.414) 8.005 4.498 ( 1.642 4.236 -13.738) 14.469 4.718 ( -4.575 -5.897 0.273) 7.469 5.013 ( 1.161 2.699 0.237) 2.948 5.320 ( -4.667 4.989 -3.277) 7.577 5.815 ( 0.895 3.337 -11.566) 12.071 6.106 ( 4.556 -7.008 5.891) 10.226 6.253 ( -5.213 0.337 6.956) 8.699 6.445 ( -7.843 0.059 -8.961) 11.909 6.511 ( -2.746 2.487 5.531) 6.657 7.243 ( -0.983 -4.197 4.728) 6.398 7.339 ( -0.356 -3.356 1.769) 3.810 7.607 ( 2.111 -2.990 -1.504) 3.957 7.684 ( -2.848 -1.763 -4.198) 5.371 7.866 ( -2.213 -1.367 -7.820) 8.241 7.904 ( 5.252 -0.174 -1.538) 5.475 8.397 ( -6.925 -1.150 0.776) 7.062 8.440 ( -7.894 -2.403 3.926) 9.138 9.001 ( 12.392 -2.656 -4.499) 13.448 9.317 ( 10.932 2.681 -0.221) 11.258 9.346 ( 3.792 1.045 4.135) 5.707 9.516 ( 5.197 1.428 2.386) 5.894 10.102 ( -5.712 6.333 2.430) 8.868 10.225 ( -4.200 4.816 3.262) 7.174 11.360 ( -3.760 -10.658 2.026) 11.482 11.440 ( -0.788 -10.461 -4.862) 11.562 12.038 ( -6.574 6.563 -2.893) 9.729 12.095 ( -3.897 7.606 -0.944) 8.598 12.404 ( 4.118 0.493 0.513) 4.179 12.794 ( 7.996 -1.498 10.457) 13.249 13.151 ( -3.469 6.197 5.694) 9.103 14.055 ( 2.226 -2.324 0.516) 3.259 14.310 ( 9.026 -0.335 4.036) 9.893 14.459 ( 4.275 1.906 3.809) 6.035 15.820 ( -16.434 -2.690 -3.282) 16.973 16.251 ( -6.910 2.225 -13.863) 15.648 16.691 ( 1.788 1.464 6.261) 6.674 16.832 ( 3.862 0.718 -3.620) 5.342 ======================= Grid point 264 (141/164) ======================= q-point: ( 0.33 0.14 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 6.184 -0.920 -3.506) 7.168 2.443 ( 0.660 -2.485 -1.729) 3.098 2.590 ( 2.143 1.831 -7.928) 8.414 2.706 ( -6.358 -0.707 -2.108) 6.736 3.161 ( 3.929 1.302 0.172) 4.143 3.386 ( -0.160 6.853 0.269) 6.860 3.612 ( -3.703 0.356 -3.316) 4.983 3.654 ( -4.531 2.825 -2.096) 5.736 3.911 ( -8.678 -1.131 11.582) 14.517 4.041 ( 0.096 2.180 -8.631) 8.902 4.384 ( 3.856 4.286 0.550) 5.791 4.447 ( 2.065 4.597 -7.266) 8.843 4.689 ( 0.823 -3.671 2.048) 4.284 5.024 ( -0.765 2.540 2.085) 3.373 5.219 ( -4.157 7.200 -2.541) 8.694 5.782 ( 3.164 2.855 -10.865) 11.672 6.026 ( -9.509 -3.884 -8.163) 13.120 6.098 ( -12.318 1.421 7.211) 14.344 6.407 ( 5.244 -4.690 2.748) 7.553 6.602 ( 3.678 0.214 5.822) 6.889 7.258 ( -0.557 -5.242 2.905) 6.019 7.347 ( -0.475 -4.429 1.711) 4.772 7.579 ( -0.905 2.120 -7.148) 7.510 7.655 ( 1.706 0.790 -3.400) 3.885 7.772 ( -2.228 -1.080 -5.517) 6.047 7.925 ( -1.091 0.070 -2.768) 2.976 8.298 ( -4.215 -4.499 0.943) 6.237 8.337 ( -4.420 -1.496 3.363) 5.752 9.229 ( 12.287 -4.269 -0.159) 13.008 9.455 ( 4.266 -2.226 4.207) 6.391 9.484 ( 5.795 2.866 1.136) 6.564 9.616 ( 4.312 0.492 -0.893) 4.431 10.028 ( -4.252 7.210 4.379) 9.447 10.157 ( -4.835 5.111 2.745) 7.552 11.298 ( -3.699 -12.519 1.158) 13.105 11.387 ( -1.626 -13.003 -4.435) 13.834 11.925 ( -3.285 7.940 -1.639) 8.748 12.002 ( -4.507 10.060 -1.635) 11.144 12.526 ( 8.221 0.837 0.800) 8.302 12.892 ( -7.945 4.195 16.922) 19.159 13.258 ( 12.612 1.144 -1.161) 12.716 14.001 ( -4.862 -1.562 -3.306) 6.083 14.510 ( 6.513 -1.152 2.913) 7.228 14.642 ( 9.048 0.338 12.751) 15.638 15.493 ( -13.749 -1.404 -5.499) 14.874 16.015 ( -7.453 0.809 -15.331) 17.066 16.747 ( 0.191 2.091 4.994) 5.417 16.857 ( 1.916 0.995 -4.092) 4.627 ======================= Grid point 265 (142/164) ======================= q-point: (-0.56 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 4.259 -1.881 1.824) 5.001 2.424 ( -1.762 -5.047 -0.627) 5.382 2.494 ( -13.559 0.119 1.390) 13.631 2.576 ( 3.120 1.482 -10.283) 10.848 3.254 ( 4.997 3.544 -0.245) 6.131 3.354 ( -2.521 7.037 -1.739) 7.674 3.538 ( -3.614 2.022 0.345) 4.155 3.563 ( -0.875 0.741 -4.800) 4.935 3.845 ( -6.710 0.744 11.461) 13.302 4.013 ( 2.751 1.255 -7.961) 8.516 4.439 ( 0.454 4.190 1.089) 4.353 4.472 ( 3.927 3.544 -4.130) 6.711 4.772 ( 5.359 0.373 4.119) 6.769 4.993 ( -4.306 4.267 -1.292) 6.199 5.180 ( 2.637 2.856 3.994) 5.574 5.626 ( -9.748 0.227 -13.179) 16.394 5.926 ( -10.850 1.975 8.105) 13.686 5.967 ( 8.541 -0.015 -8.530) 12.071 6.530 ( 4.130 -6.600 4.863) 9.179 6.668 ( 0.294 -3.161 1.038) 3.340 7.258 ( -0.171 -4.013 0.023) 4.016 7.328 ( -1.434 -4.217 -1.952) 4.863 7.545 ( 0.608 5.880 -2.423) 6.389 7.620 ( -1.651 7.117 -6.201) 9.583 7.753 ( 1.574 -4.894 1.938) 5.494 7.859 ( -3.526 -0.944 -1.571) 3.974 8.270 ( 0.958 -4.387 0.201) 4.495 8.307 ( -0.290 -3.327 -0.463) 3.372 9.421 ( 5.435 -3.895 3.842) 7.712 9.547 ( 3.341 -2.628 -1.973) 4.687 9.561 ( 2.099 -0.197 2.896) 3.582 9.643 ( -0.823 -1.193 -0.902) 1.707 10.008 ( -1.798 7.587 5.803) 9.719 10.098 ( -1.589 6.747 -0.125) 6.932 11.241 ( -4.364 -13.252 4.066) 14.532 11.331 ( 0.264 -14.669 -5.501) 15.669 11.869 ( -5.252 9.028 4.764) 11.480 11.942 ( 2.376 10.116 -6.263) 12.132 12.708 ( 8.207 2.705 2.406) 8.970 12.802 ( -8.325 5.305 8.746) 13.189 13.517 ( 13.022 -1.011 2.024) 13.217 13.846 ( -8.470 -2.085 -5.138) 10.124 14.657 ( 7.140 0.569 4.904) 8.681 14.822 ( -1.437 -1.743 8.269) 8.573 15.309 ( -0.867 -0.112 1.155) 1.449 15.758 ( -8.422 -0.528 -16.315) 18.368 16.772 ( -0.578 2.441 3.914) 4.649 16.858 ( 1.247 1.209 -4.001) 4.361 ======================= Grid point 266 (143/164) ======================= q-point: (-0.44 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -15.575 -0.526 5.236) 16.440 2.319 ( -5.968 -0.397 10.820) 12.364 2.453 ( 3.006 -5.260 1.178) 6.172 2.597 ( 5.776 0.403 -7.003) 9.087 3.270 ( -3.409 6.619 -1.617) 7.618 3.335 ( 2.178 1.512 0.321) 2.671 3.488 ( -0.832 3.082 0.292) 3.206 3.585 ( 5.014 1.757 -2.723) 5.970 3.812 ( -4.828 2.650 11.111) 12.401 4.035 ( 4.999 -0.107 -6.989) 8.594 4.375 ( -7.269 4.570 3.110) 9.132 4.524 ( 2.927 4.079 -4.739) 6.904 4.867 ( -5.203 1.115 -4.918) 7.246 4.929 ( 7.613 4.364 4.092) 9.682 5.359 ( 0.075 -0.175 -2.891) 2.897 5.398 ( 5.974 1.630 -0.694) 6.231 5.795 ( -8.137 2.184 7.453) 11.249 6.108 ( 11.379 0.702 -8.718) 14.352 6.604 ( -2.065 -6.344 1.352) 6.807 6.648 ( 1.202 -5.986 -0.528) 6.128 7.263 ( -0.402 -1.491 0.920) 1.797 7.291 ( 0.616 -1.745 -1.611) 2.454 7.522 ( -2.527 4.525 0.731) 5.234 7.579 ( 0.406 4.742 -1.992) 5.160 7.787 ( -2.822 -2.844 -1.217) 4.187 7.816 ( 2.617 -2.031 2.694) 4.270 8.301 ( 2.919 -4.658 -2.896) 6.213 8.341 ( 5.437 -2.702 -3.797) 7.160 9.428 ( -8.508 -4.343 3.615) 10.213 9.541 ( -0.653 -2.327 -2.189) 3.261 9.588 ( -2.121 0.358 1.614) 2.690 9.631 ( 0.529 -1.032 -0.576) 1.295 10.025 ( 0.279 4.988 4.214) 6.536 10.117 ( 4.023 8.061 -1.978) 9.224 11.195 ( -3.466 -12.632 5.942) 14.383 11.340 ( 3.554 -14.878 -3.796) 15.760 11.808 ( -3.984 9.601 5.484) 11.752 11.984 ( 5.156 9.049 -5.137) 11.613 12.638 ( -10.609 2.707 7.474) 13.257 12.939 ( 12.093 5.753 -2.535) 13.630 13.604 ( -12.192 -2.913 -5.709) 13.774 13.760 ( 9.823 -1.006 2.412) 10.165 14.707 ( -8.886 -2.164 0.949) 9.194 14.869 ( 10.094 0.667 3.414) 10.676 15.451 ( 5.621 -0.325 9.646) 11.169 15.478 ( -7.581 -0.621 -12.075) 14.271 16.782 ( -0.845 2.774 3.305) 4.397 16.854 ( 1.273 1.269 -3.996) 4.382 ======================= Grid point 267 (144/164) ======================= q-point: (-0.33 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -14.110 -0.120 12.583) 18.906 2.259 ( -8.751 2.004 14.298) 16.883 2.516 ( 2.581 -4.159 1.730) 5.191 2.688 ( 5.033 -1.379 -0.314) 5.228 3.197 ( -2.090 3.896 -3.079) 5.388 3.378 ( 0.933 1.573 3.334) 3.803 3.503 ( 1.618 1.378 1.115) 2.400 3.683 ( 5.909 2.202 -0.849) 6.363 3.824 ( -1.377 5.573 10.534) 11.997 4.101 ( 6.651 -1.262 -6.404) 9.318 4.258 ( -7.532 6.015 6.468) 11.608 4.494 ( -1.860 4.365 -5.793) 7.488 4.769 ( -0.893 -3.945 -5.028) 6.453 5.073 ( 4.375 6.933 -0.156) 8.200 5.251 ( 1.107 2.302 -7.457) 7.882 5.607 ( 0.031 2.350 5.957) 6.404 5.834 ( 11.887 -0.069 8.884) 14.840 6.265 ( 11.230 0.745 -8.372) 14.027 6.489 ( -6.893 -6.062 -3.922) 9.982 6.682 ( 0.138 -4.160 -1.116) 4.309 7.264 ( 1.056 -3.675 1.879) 4.260 7.348 ( 3.596 -1.149 2.466) 4.509 7.494 ( -0.644 2.475 0.437) 2.595 7.570 ( -0.877 4.107 1.034) 4.325 7.738 ( -1.732 -4.361 -0.053) 4.693 7.871 ( 0.799 -0.084 2.926) 3.035 8.365 ( 6.493 -4.484 -5.340) 9.527 8.422 ( 6.283 -1.207 -5.300) 8.308 9.212 ( -14.646 -5.109 1.574) 15.591 9.459 ( -8.924 2.119 2.827) 9.597 9.537 ( -2.258 -0.841 -3.104) 3.929 9.622 ( -0.797 -0.379 -1.083) 1.397 10.076 ( 3.124 4.914 0.022) 5.823 10.201 ( 5.678 6.184 -1.570) 8.541 11.204 ( -0.264 -11.009 6.918) 13.005 11.392 ( 3.516 -13.490 -1.695) 14.044 11.812 ( 0.609 8.351 5.672) 10.114 12.050 ( 4.575 8.453 -2.731) 9.992 12.501 ( -7.426 0.420 3.288) 8.133 13.133 ( 9.204 7.401 -1.970) 11.974 13.299 ( -13.594 -3.075 -8.949) 16.563 13.936 ( 6.702 -0.899 2.621) 7.252 14.543 ( -8.172 -3.509 -0.202) 8.896 14.934 ( -6.862 -0.666 -13.772) 15.401 15.367 ( 8.655 -0.195 5.274) 10.137 15.696 ( 7.831 0.796 14.671) 16.649 16.785 ( -1.297 3.083 2.982) 4.481 16.848 ( 1.037 1.157 -4.622) 4.876 ======================= Grid point 268 (145/164) ======================= q-point: (-0.22 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -9.402 0.014 16.900) 19.340 2.197 ( -8.650 4.920 16.357) 19.147 2.580 ( 3.017 -2.036 0.821) 3.731 2.730 ( -1.278 -1.244 0.706) 1.918 3.166 ( 1.296 0.712 -2.983) 3.330 3.384 ( -1.789 2.068 -0.066) 2.735 3.580 ( 3.591 -0.626 6.754) 7.675 3.787 ( 5.129 2.116 0.430) 5.565 3.893 ( 1.300 7.104 8.066) 10.827 4.173 ( -1.769 3.679 5.483) 6.835 4.218 ( 3.242 0.921 1.041) 3.527 4.413 ( -1.366 5.739 -5.886) 8.333 4.768 ( 3.734 -7.567 -4.259) 9.452 5.070 ( -1.084 4.950 -4.856) 7.019 5.296 ( 5.006 3.348 -1.567) 6.223 5.634 ( 1.341 4.522 5.698) 7.397 6.178 ( 12.672 -3.561 2.700) 13.437 6.298 ( -4.845 -3.577 -0.240) 6.027 6.424 ( 7.012 0.430 -7.356) 10.172 6.633 ( -0.818 -0.685 -5.309) 5.415 7.317 ( 2.614 -6.448 -0.748) 6.997 7.412 ( 2.094 -3.406 -3.209) 5.127 7.513 ( 1.015 1.879 4.223) 4.732 7.589 ( 1.871 3.543 4.344) 5.909 7.736 ( 0.857 -4.000 3.924) 5.668 7.871 ( -3.070 0.428 1.927) 3.650 8.429 ( 3.086 -1.275 -2.057) 3.922 8.537 ( 9.610 -2.066 -6.013) 11.523 8.937 ( -14.435 -3.650 1.752) 14.993 9.268 ( -12.447 2.940 2.831) 13.099 9.457 ( -3.225 -1.671 -5.129) 6.285 9.583 ( -1.923 0.860 -3.255) 3.877 10.134 ( 3.111 6.334 -0.459) 7.071 10.291 ( 4.915 4.854 -2.964) 7.517 11.269 ( 1.823 -8.835 7.005) 11.422 11.443 ( 2.973 -11.666 -1.374) 12.117 11.903 ( 4.175 7.248 6.800) 10.780 12.122 ( 4.365 6.298 -0.694) 7.694 12.408 ( -3.717 -0.658 0.422) 3.798 12.941 ( -16.878 -1.879 -3.912) 17.427 13.300 ( 9.921 6.327 -8.042) 14.253 14.044 ( 2.775 -1.438 1.131) 3.323 14.374 ( -10.723 -5.527 -1.098) 12.113 14.607 ( -12.411 3.573 -11.424) 17.243 15.705 ( 17.917 -3.062 7.776) 19.770 15.945 ( 7.718 2.149 15.050) 17.050 16.768 ( -2.606 3.171 2.226) 4.670 16.824 ( -0.042 0.929 -5.790) 5.864 ======================= Grid point 269 (146/164) ======================= q-point: (-0.11 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -1.739 0.750 17.432) 17.535 2.157 ( -6.840 6.745 14.532) 17.420 2.609 ( -1.436 -1.387 -0.961) 2.216 2.689 ( 0.437 1.411 -3.324) 3.637 3.197 ( 3.405 -1.017 -2.152) 4.155 3.327 ( -3.683 1.359 -0.562) 3.965 3.698 ( 2.970 -0.747 7.154) 7.782 3.875 ( 4.632 2.640 -2.661) 5.959 3.973 ( 1.023 6.773 8.896) 11.228 4.171 ( -4.846 3.003 14.337) 15.429 4.263 ( 0.173 2.502 -3.047) 3.946 4.418 ( 6.720 2.333 -6.749) 9.805 4.832 ( 4.708 -4.761 -1.844) 6.945 5.011 ( -1.384 3.953 -4.231) 5.953 5.404 ( 7.082 -1.269 0.653) 7.224 5.726 ( 3.148 4.898 4.553) 7.391 6.037 ( -9.769 -6.120 -4.193) 12.267 6.367 ( -4.748 2.239 -10.736) 11.951 6.540 ( 11.848 -1.622 5.581) 13.197 6.692 ( 7.752 -0.450 -3.276) 8.427 7.329 ( 1.010 -6.041 -4.299) 7.483 7.388 ( -1.099 -3.063 -4.738) 5.748 7.551 ( 0.970 -1.027 2.176) 2.594 7.702 ( 4.679 1.652 5.236) 7.214 7.777 ( -5.983 1.068 -0.312) 6.085 7.825 ( 3.394 -1.644 5.750) 6.877 8.490 ( 1.905 -0.054 5.502) 5.822 8.595 ( -4.080 -1.502 0.552) 4.382 8.805 ( 4.540 -2.134 -3.004) 5.847 9.051 ( -10.818 0.064 -0.269) 10.821 9.357 ( -3.227 -0.302 -4.647) 5.666 9.499 ( -3.821 2.911 -5.438) 7.256 10.188 ( 2.473 6.572 1.031) 7.097 10.330 ( 1.500 5.064 -3.880) 6.554 11.353 ( 1.728 -7.389 6.369) 9.907 11.487 ( 2.986 -10.272 -2.543) 10.996 12.047 ( 5.336 6.259 7.636) 11.223 12.203 ( 4.532 3.323 -0.505) 5.642 12.361 ( -1.611 0.368 -0.282) 1.676 12.616 ( -13.854 -1.087 -4.107) 14.491 13.429 ( 9.237 4.086 -6.044) 11.770 13.916 ( -17.126 -3.354 -3.862) 17.873 14.229 ( 0.127 0.965 1.521) 1.806 14.410 ( -5.367 2.331 -2.455) 6.345 16.070 ( 13.417 -3.203 7.927) 15.909 16.192 ( 9.133 1.214 10.614) 14.055 16.710 ( -4.114 2.734 -0.086) 4.940 16.764 ( -1.873 1.035 -6.451) 6.797 ======================= Grid point 270 (147/164) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 4.335 4.907 12.874) 14.444 2.250 ( -1.408 3.667 -0.296) 3.939 2.579 ( -2.812 2.433 6.656) 7.624 2.741 ( 3.286 1.185 -5.351) 6.390 3.221 ( -2.257 -1.060 2.228) 3.344 3.275 ( 1.335 -0.012 -2.183) 2.559 3.800 ( 2.397 3.342 5.510) 6.876 3.964 ( 0.116 3.171 -8.896) 9.445 4.158 ( -7.931 -0.875 7.943) 11.259 4.185 ( 4.097 3.005 4.461) 6.761 4.303 ( -2.935 2.497 7.492) 8.425 4.547 ( 5.785 4.432 -10.324) 12.637 4.958 ( 7.004 4.255 2.000) 8.436 5.034 ( -4.070 5.631 -5.013) 8.568 5.460 ( 4.489 -4.998 3.474) 7.563 5.576 ( -6.246 -6.120 -6.653) 10.988 6.030 ( 4.386 1.061 9.599) 10.607 6.257 ( -3.614 2.469 -11.627) 12.423 6.663 ( 1.834 -1.199 2.444) 3.283 6.728 ( 1.552 -1.784 -3.963) 4.615 7.167 ( -2.028 -6.801 1.369) 7.228 7.219 ( -0.509 -6.980 -3.501) 7.825 7.606 ( 6.869 -1.408 1.986) 7.288 7.651 ( -7.610 1.011 -1.597) 7.841 7.848 ( 2.610 0.562 0.277) 2.684 7.867 ( -1.170 0.224 -1.313) 1.773 8.474 ( -2.063 -0.523 12.249) 12.432 8.660 ( -1.642 3.240 2.119) 4.205 8.804 ( -3.250 -2.611 -5.175) 6.646 8.886 ( 9.610 -1.299 -6.045) 11.427 9.355 ( 1.293 0.796 1.378) 2.050 9.429 ( -2.874 0.223 -5.366) 6.091 10.421 ( -0.291 11.227 2.692) 11.549 10.470 ( -1.612 10.066 -2.234) 10.437 11.213 ( -0.708 -10.365 4.016) 11.138 11.279 ( 1.357 -11.571 -2.194) 11.855 12.250 ( 4.925 -0.122 3.132) 5.838 12.277 ( -5.897 0.239 0.262) 5.908 12.374 ( 0.929 3.767 3.337) 5.117 12.466 ( 1.025 2.353 -5.114) 5.722 13.487 ( -10.658 -0.109 11.969) 16.027 13.721 ( 4.731 4.108 -10.683) 12.384 14.317 ( 3.356 1.377 1.725) 4.017 14.350 ( -3.749 1.576 -1.547) 4.351 16.260 ( -5.117 0.226 10.291) 11.496 16.356 ( 11.274 -2.043 1.929) 11.619 16.700 ( -4.095 2.448 -4.363) 6.465 16.704 ( 1.684 0.997 -4.875) 5.253 ======================= Grid point 271 (148/164) ======================= q-point: ( 0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.479 3.483 -2.120) 4.106 2.314 ( 7.310 2.969 1.403) 8.013 2.593 ( -0.790 2.638 6.803) 7.339 2.748 ( 2.190 1.077 -6.816) 7.239 3.167 ( -3.139 0.264 1.753) 3.605 3.334 ( 4.178 -0.904 -0.507) 4.305 3.845 ( -1.900 5.571 4.380) 7.337 3.861 ( -3.212 -0.173 -9.415) 9.949 4.061 ( -7.954 -1.372 8.483) 11.710 4.249 ( -0.597 1.557 0.093) 1.670 4.329 ( 1.605 4.259 7.038) 8.382 4.593 ( 6.409 5.320 -10.986) 13.787 4.857 ( -8.644 4.075 -5.875) 11.218 5.068 ( 2.601 5.230 -0.238) 5.846 5.447 ( -1.876 -0.840 -4.109) 4.594 5.639 ( 8.560 -8.911 5.646) 13.585 6.111 ( -2.643 3.781 -10.470) 11.441 6.184 ( 3.830 0.099 8.451) 9.279 6.601 ( -6.148 -0.071 -1.826) 6.414 6.694 ( -4.182 0.152 -4.097) 5.856 7.117 ( -2.951 -7.510 2.488) 8.444 7.252 ( 2.662 -5.233 0.815) 5.927 7.515 ( -4.415 -2.037 -0.982) 4.960 7.729 ( -1.539 -1.214 1.374) 2.393 7.791 ( 1.936 -0.234 -0.512) 2.016 7.854 ( -1.871 -4.127 -0.899) 4.620 8.508 ( -3.036 1.770 6.833) 7.683 8.557 ( -8.147 2.055 0.929) 8.453 8.812 ( 8.597 -2.105 -8.781) 12.468 9.101 ( 13.439 0.087 -2.031) 13.591 9.357 ( -0.177 1.243 -3.033) 3.282 9.425 ( 3.292 -0.372 3.307) 4.681 10.379 ( -5.087 10.679 1.433) 11.915 10.432 ( -2.741 10.108 2.454) 10.756 11.190 ( -3.570 -10.705 2.254) 11.507 11.260 ( -1.454 -11.526 -2.847) 11.961 12.217 ( 0.228 1.648 -0.344) 1.699 12.285 ( -6.144 3.540 2.472) 7.509 12.424 ( 3.140 2.956 -2.448) 4.959 12.508 ( 8.087 -1.460 0.106) 8.218 13.374 ( -8.634 6.199 12.615) 16.495 13.837 ( 10.235 -1.119 -2.984) 10.719 14.290 ( -1.322 1.665 -1.180) 2.432 14.399 ( 3.895 1.374 2.144) 4.654 16.071 ( -14.932 -2.009 0.642) 15.080 16.515 ( -2.875 2.643 -13.365) 13.924 16.595 ( 4.030 -0.047 7.589) 8.593 16.778 ( 4.947 1.062 -0.584) 5.093 ======================= Grid point 272 (149/164) ======================= q-point: ( 0.22 0.29 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.087 2.315 -7.248) 8.212 2.414 ( 2.193 0.430 -1.370) 2.621 2.623 ( 0.823 1.641 0.359) 1.871 2.746 ( 1.167 -0.062 -3.904) 4.076 3.149 ( 0.359 1.944 2.219) 2.972 3.409 ( 3.775 -0.433 -0.153) 3.803 3.718 ( -4.231 -1.251 -8.638) 9.700 3.805 ( -4.640 1.853 1.273) 5.156 3.985 ( -6.628 2.210 9.575) 11.853 4.203 ( -2.271 2.571 -3.531) 4.923 4.409 ( 2.003 4.568 4.082) 6.445 4.645 ( 5.864 7.951 -6.954) 12.081 4.653 ( -7.555 2.301 -5.496) 9.621 5.089 ( 0.156 4.221 0.295) 4.234 5.411 ( 0.254 3.028 -3.818) 4.880 5.815 ( 4.587 -6.692 3.398) 8.797 6.010 ( -0.631 1.159 -8.090) 8.197 6.253 ( -4.621 -0.156 7.490) 8.803 6.455 ( -6.892 1.155 -8.090) 10.691 6.558 ( -3.839 1.797 1.927) 4.656 7.095 ( -1.630 -8.817 3.400) 9.589 7.287 ( -0.209 -1.441 2.179) 2.620 7.494 ( 1.659 -7.288 0.193) 7.477 7.636 ( -3.234 -2.124 -1.713) 4.231 7.804 ( -1.031 -4.860 -3.326) 5.978 7.897 ( 5.006 -0.265 -0.258) 5.019 8.384 ( -8.637 1.636 -0.885) 8.835 8.455 ( -6.998 2.618 2.655) 7.930 8.959 ( 11.963 -1.457 -6.499) 13.692 9.296 ( 5.580 -1.205 3.947) 6.940 9.411 ( 6.751 1.379 -1.464) 7.044 9.514 ( 4.469 -1.733 1.171) 4.934 10.289 ( -5.528 10.487 2.979) 12.223 10.381 ( -4.808 9.420 3.903) 11.273 11.120 ( -4.378 -11.310 -0.369) 12.133 11.195 ( -3.229 -11.857 -2.614) 12.564 12.158 ( -7.091 4.150 1.576) 8.366 12.248 ( 1.581 6.281 -3.763) 7.491 12.421 ( 2.638 1.146 -1.633) 3.307 12.745 ( 11.189 -2.865 7.196) 13.608 13.328 ( -4.428 9.504 8.452) 13.467 13.978 ( 3.331 -4.704 -0.578) 5.793 14.319 ( 5.947 0.977 0.116) 6.028 14.501 ( 4.675 1.736 5.149) 7.168 15.764 ( -15.591 -2.182 -3.545) 16.138 16.296 ( -8.529 1.742 -13.097) 15.726 16.727 ( 3.722 1.674 4.330) 5.950 16.850 ( 3.127 0.918 -1.095) 3.438 ======================= Grid point 273 (150/164) ======================= q-point: ( 0.33 0.29 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 5.258 0.743 -6.060) 8.057 2.396 ( -2.513 -1.730 -0.413) 3.079 2.617 ( 0.593 0.704 -6.221) 6.289 2.691 ( -4.843 -0.589 -4.250) 6.471 3.219 ( 4.801 3.339 2.448) 6.339 3.454 ( 0.366 -0.528 0.040) 0.644 3.596 ( -2.134 -1.641 -8.723) 9.129 3.722 ( -3.957 2.220 -0.110) 4.539 3.932 ( -5.801 3.425 9.406) 11.570 4.138 ( -0.871 5.981 -5.746) 8.339 4.436 ( -0.319 0.885 1.507) 1.776 4.553 ( -0.265 3.613 -0.739) 3.697 4.733 ( 6.388 8.992 -1.233) 11.098 5.092 ( -0.679 3.680 2.701) 4.616 5.369 ( -3.046 6.000 -3.940) 7.798 5.855 ( 2.968 1.695 -6.835) 7.642 5.893 ( -8.869 -6.791 -5.636) 12.512 6.139 ( -10.639 2.206 6.958) 12.902 6.337 ( 1.631 -0.965 -2.799) 3.380 6.577 ( 0.990 -2.066 1.667) 2.833 7.101 ( -0.037 -8.835 3.158) 9.383 7.276 ( -1.704 -2.746 0.066) 3.233 7.546 ( 2.981 -7.444 2.528) 8.408 7.618 ( 2.541 1.134 -2.979) 4.077 7.776 ( 0.947 -1.978 -5.640) 6.051 7.946 ( 0.979 1.996 -2.955) 3.698 8.227 ( -6.779 -0.806 -0.456) 6.842 8.322 ( -7.684 0.422 2.413) 8.065 9.160 ( 11.673 -2.245 -1.685) 12.006 9.405 ( 3.410 -2.241 4.681) 6.210 9.508 ( 3.390 -0.317 0.231) 3.413 9.594 ( 2.922 -2.394 -1.149) 3.948 10.224 ( -3.983 10.147 4.720) 11.879 10.317 ( -3.950 9.496 2.749) 10.646 11.032 ( -3.736 -11.751 -1.567) 12.430 11.108 ( -3.856 -12.733 -2.725) 13.580 12.062 ( -4.080 4.609 1.957) 6.458 12.188 ( -3.101 7.027 -4.692) 9.001 12.563 ( 11.297 2.528 0.011) 11.577 12.950 ( -0.029 0.417 14.721) 14.727 13.336 ( 4.327 6.324 -0.778) 7.702 13.940 ( -4.879 -4.219 -2.890) 7.068 14.485 ( 9.470 -0.818 0.805) 9.540 14.659 ( 5.664 1.018 11.401) 12.771 15.464 ( -12.240 -1.144 -4.714) 13.166 16.030 ( -9.368 0.510 -14.787) 17.512 16.797 ( 1.268 2.301 3.250) 4.179 16.882 ( 1.511 1.168 -1.937) 2.720 ======================= Grid point 274 (151/164) ======================= q-point: (-0.56 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 4.479 -0.894 -1.565) 4.828 2.333 ( -4.683 -3.232 1.497) 5.884 2.504 ( -10.760 0.925 1.309) 10.879 2.594 ( 1.771 0.153 -9.891) 10.049 3.313 ( 2.176 1.387 1.246) 2.866 3.427 ( -1.740 -0.181 -2.174) 2.790 3.547 ( 2.416 -0.437 -3.312) 4.123 3.647 ( -3.669 5.176 -1.876) 6.616 3.903 ( -3.459 4.449 8.761) 10.417 4.083 ( -0.839 5.066 -5.415) 7.463 4.514 ( 7.700 1.401 -0.543) 7.846 4.552 ( -2.218 4.210 2.639) 5.441 4.865 ( 7.529 8.524 1.958) 11.540 5.092 ( -3.926 4.920 2.920) 6.939 5.256 ( -2.951 3.610 -0.814) 4.733 5.630 ( -7.952 0.045 -14.045) 16.140 5.941 ( 6.716 -2.175 -2.054) 7.352 5.987 ( -8.493 2.496 5.378) 10.358 6.404 ( 3.792 -3.816 1.924) 5.713 6.566 ( -1.824 -5.309 -2.863) 6.302 7.139 ( 1.888 -7.403 2.769) 8.126 7.235 ( -1.900 -4.541 -1.475) 5.138 7.630 ( 2.715 -4.645 2.285) 5.845 7.665 ( 3.254 3.050 -1.172) 4.611 7.750 ( 1.019 3.360 -5.464) 6.495 7.874 ( -5.809 4.225 -3.451) 7.969 8.169 ( 0.750 -4.188 0.573) 4.293 8.226 ( -2.706 -3.804 0.063) 4.669 9.349 ( 6.880 -2.630 2.909) 7.919 9.480 ( 1.015 -3.192 1.928) 3.864 9.539 ( 0.051 -2.088 -0.313) 2.112 9.602 ( 0.003 -2.076 -1.108) 2.353 10.194 ( -4.009 9.240 7.815) 12.749 10.284 ( 0.363 10.032 -1.387) 10.134 10.968 ( -2.805 -11.853 0.767) 12.204 11.028 ( -1.242 -13.308 -4.239) 14.022 12.023 ( -2.995 5.256 4.301) 7.423 12.115 ( -0.332 6.032 -4.874) 7.762 12.797 ( 10.108 5.182 2.613) 11.656 12.920 ( -7.700 4.796 8.423) 12.379 13.501 ( 11.577 -0.124 -0.610) 11.594 13.781 ( -8.911 -3.864 -4.532) 10.718 14.671 ( 9.142 0.651 2.376) 9.468 14.787 ( -2.485 -1.251 8.979) 9.400 15.306 ( -0.702 -0.159 1.545) 1.705 15.744 ( -9.803 -0.680 -15.583) 18.422 16.829 ( 0.244 2.453 2.365) 3.416 16.889 ( 0.959 1.531 -2.476) 3.065 ======================= Grid point 275 (152/164) ======================= q-point: (-0.44 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -11.758 -1.211 3.162) 12.236 2.313 ( -0.063 -1.378 3.795) 4.038 2.385 ( -3.909 0.183 8.974) 9.790 2.589 ( 3.636 -1.013 -5.774) 6.898 3.322 ( -1.762 -1.689 3.369) 4.160 3.381 ( -0.810 2.290 -3.170) 3.993 3.567 ( -2.282 3.965 -3.219) 5.594 3.622 ( 4.698 1.194 0.828) 4.917 3.925 ( -0.486 7.080 8.144) 10.802 4.054 ( 1.837 1.757 -4.748) 5.385 4.485 ( -5.759 4.875 2.236) 7.870 4.622 ( 3.362 4.380 -3.691) 6.641 4.928 ( -8.999 4.802 -3.981) 10.950 5.064 ( 10.455 8.029 4.220) 13.842 5.353 ( 4.294 -0.419 4.878) 6.512 5.447 ( 2.177 2.994 -10.034) 10.695 5.852 ( -7.437 2.645 5.034) 9.362 6.110 ( 11.095 -1.530 -4.549) 12.088 6.467 ( -2.729 -5.076 -0.957) 5.842 6.499 ( 1.509 -6.633 -0.174) 6.805 7.187 ( -1.834 -5.748 -2.078) 6.381 7.204 ( 3.190 -6.042 1.866) 7.082 7.629 ( -4.307 2.909 -0.344) 5.208 7.669 ( 0.283 1.832 0.975) 2.095 7.733 ( -5.301 0.155 -3.373) 6.285 7.818 ( 4.602 3.695 1.563) 6.105 8.182 ( 1.967 -5.970 -1.155) 6.391 8.275 ( 7.583 -3.030 -4.178) 9.173 9.346 ( -10.198 -3.156 3.260) 11.162 9.487 ( 1.406 -2.409 -0.610) 2.855 9.561 ( 0.281 -2.582 1.612) 3.057 9.598 ( 0.709 -1.712 -2.646) 3.230 10.181 ( -2.430 8.786 7.436) 11.764 10.311 ( 3.494 9.629 -2.210) 10.479 10.935 ( -1.371 -11.603 2.518) 11.952 11.027 ( 3.514 -13.390 -3.100) 14.186 11.995 ( -2.839 7.337 5.034) 9.340 12.121 ( 3.391 3.992 -3.431) 6.262 12.714 ( -13.388 3.965 8.280) 16.233 13.088 ( 15.140 7.361 -4.568) 17.443 13.531 ( -12.876 -3.542 -3.575) 13.825 13.723 ( 9.769 -2.333 0.316) 10.049 14.661 ( -11.149 -1.792 3.609) 11.855 14.884 ( 10.190 0.748 0.180) 10.219 15.444 ( 2.976 -0.275 5.505) 6.264 15.463 ( -4.103 -0.787 -6.708) 7.902 16.844 ( -0.002 2.501 1.720) 3.035 16.888 ( 1.017 1.792 -3.148) 3.762 ======================= Grid point 276 (153/164) ======================= q-point: (-0.33 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -11.715 1.599 9.818) 15.368 2.306 ( -4.662 1.418 10.041) 11.161 2.432 ( 1.298 -2.521 8.312) 8.782 2.645 ( 3.290 -2.515 0.878) 4.233 3.281 ( -3.082 2.716 -1.913) 4.531 3.386 ( 0.724 -0.097 4.386) 4.447 3.527 ( -0.156 0.887 -2.170) 2.350 3.711 ( 4.194 0.420 2.010) 4.670 3.988 ( 1.424 7.958 6.601) 10.437 4.082 ( 4.281 -0.420 -4.343) 6.113 4.421 ( -1.870 7.584 2.806) 8.300 4.590 ( -2.824 3.945 -3.709) 6.107 4.760 ( -5.788 4.311 -3.655) 8.089 5.232 ( 3.500 7.954 -4.774) 9.915 5.311 ( 1.939 3.012 -2.913) 4.617 5.654 ( 5.466 1.330 7.629) 9.479 5.836 ( 8.015 0.125 2.965) 8.547 6.285 ( 10.992 0.169 -6.357) 12.699 6.339 ( -7.006 -6.206 -2.493) 9.686 6.571 ( 2.549 -5.171 2.049) 6.119 7.147 ( -0.588 -7.190 -1.660) 7.402 7.281 ( 4.130 -5.232 -0.055) 6.666 7.552 ( -4.018 1.857 2.164) 4.927 7.627 ( -2.888 -0.524 -3.599) 4.645 7.677 ( -0.486 0.993 2.674) 2.893 7.885 ( 0.571 1.480 2.977) 3.374 8.265 ( 8.018 -3.968 -3.866) 9.746 8.399 ( 8.495 -0.626 -4.985) 9.869 9.122 ( -14.197 -3.192 1.931) 14.678 9.456 ( -5.164 -0.780 0.774) 5.279 9.533 ( -2.922 -0.813 -2.007) 3.636 9.587 ( -0.649 -2.637 -1.131) 2.942 10.219 ( 2.018 8.204 4.768) 9.701 10.376 ( 4.600 9.450 -2.030) 10.704 10.964 ( 2.250 -11.309 3.484) 12.046 11.096 ( 4.680 -12.837 -0.895) 13.693 12.004 ( 0.342 8.411 5.405) 10.004 12.175 ( 3.609 3.403 -1.201) 5.104 12.521 ( -10.718 1.488 4.044) 11.552 13.220 ( -13.585 -3.961 -8.331) 16.421 13.326 ( 10.401 9.796 -2.309) 14.473 13.889 ( 6.491 -3.708 1.656) 7.656 14.465 ( -11.242 -3.133 2.850) 12.013 14.932 ( -4.717 0.368 -13.509) 14.313 15.365 ( 7.333 0.004 3.751) 8.236 15.709 ( 9.001 0.345 15.119) 17.599 16.852 ( -0.302 2.654 1.055) 2.872 16.880 ( 0.589 1.703 -4.323) 4.683 ======================= Grid point 277 (154/164) ======================= q-point: (-0.22 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -6.996 3.822 14.381) 16.443 2.288 ( -4.882 2.438 11.486) 12.717 2.528 ( 2.542 -1.712 7.811) 8.391 2.693 ( 0.068 -2.173 2.507) 3.318 3.215 ( -1.303 3.106 -3.101) 4.578 3.396 ( -2.903 -0.864 1.774) 3.510 3.563 ( 4.197 -0.381 3.468) 5.458 3.825 ( 6.333 0.807 1.704) 6.608 4.045 ( 0.809 5.523 4.121) 6.939 4.167 ( 6.505 -0.989 -1.868) 6.840 4.388 ( -6.768 11.294 4.921) 14.056 4.561 ( 1.576 6.412 1.021) 6.682 4.662 ( 0.246 -0.635 -5.703) 5.744 5.186 ( -0.274 6.283 -8.484) 10.561 5.359 ( 1.290 2.112 0.624) 2.552 5.735 ( 1.777 4.193 7.299) 8.603 6.020 ( -0.431 -10.583 -5.590) 11.976 6.283 ( 6.679 2.225 6.724) 9.735 6.423 ( 7.116 -0.423 -7.216) 10.143 6.603 ( 1.846 -1.878 -1.531) 3.046 7.148 ( 1.476 -8.948 -1.620) 9.212 7.349 ( 3.483 -3.074 -3.159) 5.618 7.487 ( -4.141 -4.935 1.340) 6.580 7.611 ( 3.631 0.834 -0.401) 3.747 7.716 ( 2.255 1.071 4.754) 5.370 7.881 ( -2.610 0.527 1.176) 2.911 8.394 ( 6.772 -1.127 -1.611) 7.051 8.527 ( 8.408 1.198 -4.532) 9.627 8.870 ( -12.696 -2.501 1.801) 13.065 9.295 ( -13.023 0.094 3.205) 13.412 9.448 ( -3.058 -0.011 -4.619) 5.539 9.561 ( -0.887 -2.631 -2.597) 3.801 10.304 ( 3.900 9.141 2.233) 10.185 10.447 ( 4.255 9.373 -2.479) 10.588 11.056 ( 4.132 -11.035 4.249) 12.526 11.178 ( 4.093 -11.848 -0.131) 12.536 12.081 ( 3.207 8.317 6.451) 11.004 12.225 ( 1.508 3.315 0.365) 3.660 12.392 ( -4.147 -0.776 1.723) 4.557 12.882 ( -15.748 -3.277 -5.837) 17.112 13.474 ( 7.183 9.156 -5.304) 12.789 13.968 ( -0.188 -5.727 0.367) 5.741 14.295 ( -7.612 -1.620 2.504) 8.175 14.671 ( -9.806 2.425 -11.750) 15.495 15.653 ( 16.032 -1.620 6.981) 17.560 15.981 ( 8.119 1.173 16.093) 18.063 16.834 ( -1.733 2.423 -2.860) 4.130 16.851 ( -0.528 1.591 -3.289) 3.692 ======================= Grid point 278 (155/164) ======================= q-point: (-0.11 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.007 5.188 15.220) 16.079 2.276 ( -3.980 3.253 8.851) 10.235 2.594 ( -1.548 0.313 5.325) 5.555 2.704 ( 1.874 -0.044 -0.799) 2.038 3.202 ( 1.378 1.117 -1.210) 2.147 3.331 ( -3.900 -0.964 -0.319) 4.030 3.690 ( 4.916 0.494 5.540) 7.424 3.948 ( 5.825 3.343 -2.637) 7.215 4.092 ( 1.802 2.802 3.992) 5.199 4.248 ( -2.364 -1.523 2.558) 3.801 4.292 ( -3.436 7.471 6.976) 10.784 4.541 ( 0.140 6.759 -5.209) 8.535 4.772 ( 9.714 0.449 1.107) 9.787 5.122 ( -1.630 6.748 -5.480) 8.844 5.387 ( 1.996 -0.858 0.492) 2.228 5.766 ( -5.846 -4.094 -3.935) 8.150 5.913 ( -0.430 -2.833 5.735) 6.411 6.395 ( -2.299 0.397 -10.128) 10.393 6.519 ( 9.434 0.323 4.728) 10.557 6.680 ( 5.760 -0.678 -1.658) 6.032 7.164 ( 1.286 -8.785 -1.843) 9.068 7.312 ( -3.969 -3.779 -4.404) 7.031 7.488 ( 3.667 -4.440 1.218) 5.885 7.735 ( 7.290 1.426 1.249) 7.533 7.796 ( -4.617 0.678 -1.137) 4.803 7.819 ( 3.531 0.668 2.700) 4.495 8.470 ( -2.104 -0.868 7.147) 7.501 8.615 ( 3.226 2.942 -1.686) 4.680 8.758 ( 3.418 -2.015 -3.509) 5.297 9.039 ( -14.836 -0.890 2.064) 15.005 9.369 ( -1.796 0.638 -3.530) 4.012 9.512 ( -1.967 -1.524 -4.284) 4.954 10.381 ( 2.651 10.812 1.597) 11.246 10.489 ( 1.792 9.559 -2.904) 10.149 11.159 ( 3.117 -10.752 4.352) 12.010 11.244 ( 3.124 -11.302 -0.729) 11.748 12.170 ( 1.368 3.527 4.483) 5.866 12.272 ( 4.188 4.082 2.220) 6.255 12.375 ( -1.495 0.907 2.453) 3.012 12.580 ( -10.571 -2.239 -5.722) 12.227 13.530 ( 1.240 4.578 -0.698) 4.794 13.847 ( -8.953 -2.464 -5.011) 10.552 14.256 ( 1.108 1.360 2.042) 2.693 14.462 ( -6.382 2.233 -4.537) 8.143 16.012 ( 16.308 -2.014 6.018) 17.499 16.215 ( 4.496 0.895 15.028) 15.712 16.753 ( -2.495 1.149 -6.911) 7.436 16.803 ( -2.671 2.244 -3.029) 4.620 ======================= Grid point 279 (156/164) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 4.394 4.881 7.380) 9.879 2.274 ( -0.015 -1.389 0.463) 1.464 2.635 ( -2.549 2.049 7.619) 8.292 2.751 ( 2.310 -0.018 -1.124) 2.569 3.207 ( -3.297 -0.035 2.654) 4.233 3.254 ( 1.159 -1.428 -0.880) 2.038 3.893 ( 6.874 3.963 1.878) 8.154 4.016 ( -2.464 1.175 -9.131) 9.530 4.128 ( -7.785 -1.188 6.215) 10.033 4.189 ( 7.533 -0.946 1.577) 7.755 4.362 ( -9.717 1.872 10.570) 14.480 4.615 ( 7.899 1.364 -10.412) 13.140 5.084 ( 9.764 6.418 4.985) 12.704 5.193 ( -7.771 8.078 -5.273) 12.388 5.344 ( -0.160 -5.464 1.426) 5.649 5.428 ( -1.250 -7.341 -5.512) 9.265 6.040 ( 3.094 0.198 11.331) 11.747 6.293 ( -1.628 0.936 -12.288) 12.431 6.656 ( 1.003 0.431 1.344) 1.732 6.698 ( 2.094 -1.081 -2.603) 3.511 7.049 ( 1.677 -3.144 0.834) 3.660 7.085 ( -4.689 -4.445 -2.506) 6.930 7.579 ( 7.947 -0.785 3.438) 8.695 7.665 ( -7.647 0.299 -3.683) 8.493 7.855 ( -0.881 0.115 -0.524) 1.032 7.879 ( -0.468 0.433 -2.026) 2.124 8.475 ( -0.137 0.253 12.971) 12.974 8.725 ( -1.627 2.131 -1.546) 3.095 8.766 ( -6.331 -0.845 -3.317) 7.197 8.877 ( 12.477 0.063 -5.081) 13.472 9.354 ( 0.621 -0.297 0.458) 0.827 9.406 ( -1.988 -1.448 -3.974) 4.674 10.680 ( 0.283 11.861 1.864) 12.010 10.691 ( -2.655 9.544 -0.076) 9.907 10.969 ( -0.080 -12.103 4.688) 12.980 11.053 ( 0.906 -8.562 -2.971) 9.108 12.228 ( 4.577 -0.761 2.883) 5.463 12.282 ( -5.694 -0.068 -1.938) 6.015 12.441 ( -1.709 1.880 2.939) 3.885 12.499 ( 3.994 0.703 -2.781) 4.917 13.493 ( -8.439 0.358 15.315) 17.490 13.790 ( 3.725 1.904 -13.152) 13.802 14.339 ( 3.263 0.572 1.758) 3.751 14.376 ( -3.745 0.678 -1.974) 4.287 16.265 ( -8.904 0.200 9.414) 12.959 16.327 ( 14.332 -0.702 3.516) 14.774 16.720 ( 3.274 0.417 -4.391) 5.493 16.736 ( -5.186 0.868 -5.587) 7.672 ======================= Grid point 280 (157/164) ======================= q-point: ( 0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.531 1.507 -3.872) 4.189 2.367 ( 6.278 1.552 -0.695) 6.504 2.646 ( -1.550 1.744 6.281) 6.700 2.758 ( 0.770 0.024 -3.948) 4.022 3.171 ( -2.575 0.090 4.638) 5.306 3.301 ( 3.763 -1.320 -0.137) 3.990 3.857 ( -5.577 -0.047 -10.465) 11.859 3.923 ( -7.240 0.589 4.185) 8.383 4.088 ( 0.949 3.907 3.110) 5.083 4.236 ( -3.918 -1.726 1.789) 4.640 4.374 ( 4.107 0.236 7.393) 8.460 4.710 ( 8.668 3.837 -10.091) 13.845 4.971 ( -9.962 4.615 -5.849) 12.440 5.201 ( -0.332 6.787 1.023) 6.872 5.412 ( 1.740 -3.273 -4.077) 5.510 5.446 ( 8.543 -7.025 6.263) 12.711 6.170 ( 1.105 0.963 2.512) 2.908 6.181 ( 0.383 0.506 -5.260) 5.298 6.617 ( -4.025 1.273 -0.898) 4.316 6.690 ( -1.821 -0.544 -4.816) 5.178 6.971 ( -4.210 -4.696 1.467) 6.476 7.156 ( 5.194 -2.917 3.137) 6.733 7.488 ( -7.662 -0.552 -4.012) 8.666 7.716 ( -2.684 0.017 2.744) 3.838 7.771 ( -4.239 -2.176 1.610) 5.029 7.788 ( -1.654 -0.683 0.441) 1.843 8.560 ( -0.895 2.027 7.280) 7.610 8.607 ( -7.771 1.739 0.630) 7.988 8.778 ( 9.948 -0.944 -11.170) 14.988 9.110 ( 13.345 0.522 -2.212) 13.537 9.354 ( 0.340 -0.729 -3.088) 3.192 9.397 ( 1.947 -1.375 2.958) 3.799 10.611 ( -6.317 9.267 2.589) 11.510 10.658 ( -3.866 9.911 2.521) 10.933 10.964 ( -3.102 -9.753 3.074) 10.686 11.028 ( -0.938 -8.873 -4.086) 9.813 12.240 ( 2.941 0.589 -1.792) 3.494 12.330 ( -5.257 0.846 5.136) 7.398 12.437 ( 8.861 -0.599 -0.002) 8.882 12.516 ( -0.124 1.092 -4.095) 4.240 13.487 ( -4.454 3.367 16.370) 17.296 13.816 ( 6.547 -0.724 -8.355) 10.640 14.318 ( -0.949 0.755 -1.469) 1.905 14.420 ( 3.898 0.542 2.392) 4.605 16.042 ( -15.595 -0.693 0.415) 15.615 16.555 ( -2.653 0.993 -14.260) 14.539 16.595 ( 5.152 0.018 7.954) 9.477 16.795 ( 4.359 0.460 0.538) 4.416 ======================= Grid point 281 (158/164) ======================= q-point: ( 0.22 0.43 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.303 1.444 -7.391) 7.875 2.421 ( 1.066 0.165 -4.569) 4.695 2.652 ( -0.607 0.860 0.669) 1.247 2.743 ( -0.019 -0.174 -3.374) 3.379 3.188 ( 0.909 1.281 6.059) 6.260 3.379 ( 3.777 -1.434 0.008) 4.040 3.687 ( -4.382 -0.990 -10.125) 11.077 3.800 ( -6.887 -0.962 3.465) 7.769 4.085 ( -4.973 4.964 4.322) 8.249 4.196 ( 1.010 -2.206 -3.038) 3.888 4.495 ( 3.452 2.711 5.209) 6.812 4.692 ( -7.846 1.722 -5.788) 9.901 4.859 ( 5.475 7.599 -5.345) 10.784 5.178 ( -1.660 3.629 1.114) 4.143 5.423 ( 2.336 -2.199 -3.580) 4.807 5.645 ( 5.566 -5.366 6.937) 10.387 6.064 ( -1.425 1.816 -13.406) 13.603 6.250 ( -2.846 -0.104 8.550) 9.012 6.508 ( -6.301 3.748 -6.350) 9.699 6.578 ( -4.231 -0.682 -0.912) 4.382 6.925 ( -2.282 -5.496 2.670) 6.522 7.269 ( 1.980 -0.409 2.988) 3.608 7.350 ( -2.536 -4.547 -1.541) 5.430 7.610 ( -3.174 -0.114 1.704) 3.605 7.697 ( -2.194 -3.839 0.679) 4.474 7.894 ( 5.440 -0.018 0.499) 5.463 8.440 ( -8.437 2.191 -2.741) 9.137 8.514 ( -7.197 2.046 1.559) 7.642 8.938 ( 12.862 -0.484 -8.073) 15.193 9.281 ( 3.286 -0.283 5.263) 6.211 9.416 ( 7.323 0.032 -3.053) 7.934 9.461 ( 3.595 -2.370 1.163) 4.460 10.504 ( -7.603 8.111 5.875) 12.574 10.588 ( -4.668 8.494 2.334) 9.969 10.903 ( -4.262 -7.941 -0.031) 9.012 10.962 ( -2.911 -8.737 -4.266) 10.149 12.213 ( -7.286 1.186 2.947) 7.948 12.343 ( 6.670 2.378 -2.977) 7.681 12.447 ( -0.096 0.959 -4.153) 4.263 12.691 ( 12.153 -1.695 6.006) 13.662 13.507 ( -4.208 5.899 11.305) 13.427 13.877 ( 2.974 -3.759 -4.356) 6.477 14.339 ( 4.839 0.637 -1.526) 5.114 14.527 ( 4.754 0.658 5.772) 7.506 15.733 ( -15.261 -0.742 -3.243) 15.619 16.321 ( -9.437 0.598 -12.864) 15.966 16.753 ( 5.081 0.689 2.960) 5.921 16.865 ( 2.596 0.411 0.477) 2.671 ======================= Grid point 282 (159/164) ======================= q-point: ( 0.33 0.43 -0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 4.007 0.942 -6.698) 7.861 2.371 ( -3.123 -0.663 -2.155) 3.852 2.626 ( -0.451 0.295 -5.173) 5.201 2.680 ( -4.181 -0.374 -4.550) 6.190 3.286 ( 4.403 2.597 5.247) 7.325 3.405 ( -1.803 -2.800 1.266) 3.563 3.564 ( -1.605 -0.931 -8.931) 9.122 3.745 ( -0.227 0.362 -0.757) 0.870 4.007 ( -5.058 2.362 4.651) 7.265 4.224 ( 4.201 1.524 -4.874) 6.613 4.474 ( -7.537 2.348 1.191) 7.984 4.600 ( 1.190 0.858 3.465) 3.763 4.956 ( 6.636 8.339 -3.072) 11.091 5.168 ( -1.013 3.080 4.027) 5.170 5.442 ( 0.623 0.280 -3.285) 3.355 5.692 ( -4.725 -6.558 3.093) 8.654 5.924 ( -2.801 1.532 -12.719) 13.113 6.174 ( -9.386 0.715 5.995) 11.160 6.373 ( -0.334 3.085 -5.728) 6.515 6.542 ( -1.449 -0.991 -0.174) 1.764 6.928 ( 0.593 -5.749 3.288) 6.649 7.208 ( -3.310 -3.025 -2.954) 5.370 7.433 ( 4.650 -2.437 5.617) 7.689 7.631 ( 3.452 0.355 -0.128) 3.472 7.707 ( 3.061 -2.846 -0.758) 4.247 7.973 ( 3.824 0.399 -2.687) 4.691 8.256 ( -8.696 1.858 -3.241) 9.464 8.345 ( -10.396 1.072 0.405) 10.459 9.131 ( 11.406 -0.568 -3.377) 11.908 9.364 ( 1.566 -1.284 7.217) 7.496 9.501 ( 3.179 0.310 -1.372) 3.477 9.534 ( 2.801 -2.622 -1.182) 4.015 10.415 ( -7.030 6.452 9.131) 13.207 10.531 ( -1.926 9.548 -0.394) 9.748 10.813 ( -4.597 -8.584 -0.734) 9.765 10.870 ( -2.988 -8.205 -5.422) 10.279 12.123 ( -4.233 1.338 3.198) 5.472 12.291 ( -3.681 2.466 -5.548) 7.100 12.616 ( 14.515 1.824 -1.274) 14.685 12.931 ( 4.953 -1.150 12.281) 13.292 13.480 ( -2.182 5.333 1.648) 5.993 13.841 ( -3.800 -3.940 -3.531) 6.514 14.478 ( 10.016 -0.044 -0.936) 10.059 14.677 ( 4.365 0.500 10.929) 11.779 15.448 ( -11.499 -0.384 -4.016) 12.186 16.036 ( -10.491 0.137 -14.662) 18.029 16.833 ( 1.800 0.905 2.247) 3.018 16.901 ( 1.414 0.514 -0.702) 1.660 ======================= Grid point 283 (160/164) ======================= q-point: (-0.56 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 3.483 0.029 -3.114) 4.672 2.287 ( -5.527 -1.091 1.366) 5.797 2.531 ( -7.866 1.281 -0.302) 7.975 2.584 ( 0.042 -0.822 -7.140) 7.188 3.320 ( -3.532 -0.204 2.401) 4.276 3.405 ( 1.371 -0.913 -2.602) 3.079 3.539 ( 3.675 -0.215 -0.126) 3.684 3.722 ( -1.316 1.754 -4.629) 5.122 3.987 ( -0.631 2.447 5.819) 6.344 4.182 ( -4.661 3.024 -4.477) 7.135 4.521 ( 10.145 -0.052 2.322) 10.408 4.622 ( -2.333 1.834 3.728) 4.765 5.052 ( 6.080 6.033 -2.491) 8.920 5.203 ( -1.301 5.233 8.201) 9.815 5.304 ( -10.550 0.440 -1.641) 10.685 5.611 ( 0.612 -2.086 -11.836) 12.034 5.879 ( 4.282 -1.825 -1.994) 5.064 6.019 ( -9.572 0.144 3.250) 10.109 6.395 ( 3.632 1.901 -1.775) 4.467 6.485 ( -3.713 -2.053 -2.103) 4.735 6.986 ( 2.791 -5.180 3.641) 6.920 7.135 ( -2.563 -3.672 -3.024) 5.404 7.556 ( 4.264 -1.651 4.616) 6.497 7.683 ( 1.689 -0.454 -2.471) 3.027 7.797 ( 7.107 1.296 -1.126) 7.312 7.979 ( -3.618 3.283 -4.890) 6.912 8.118 ( -0.335 -0.385 -2.086) 2.148 8.162 ( -8.047 -2.062 1.032) 8.370 9.313 ( 8.340 -0.780 0.866) 8.421 9.423 ( -2.131 -1.710 6.251) 6.822 9.492 ( -1.645 -1.595 -0.534) 2.352 9.571 ( 2.563 -0.759 -3.281) 4.232 10.369 ( -5.097 5.920 10.925) 13.430 10.503 ( -0.322 10.367 -1.861) 10.537 10.734 ( -3.274 -10.670 0.343) 11.166 10.797 ( 0.365 -6.985 -6.927) 9.844 12.095 ( -1.417 1.643 3.624) 4.224 12.199 ( -2.120 1.966 -4.092) 5.010 12.901 ( 13.915 3.783 -0.020) 14.420 12.975 ( -7.566 0.327 11.718) 13.952 13.521 ( 7.726 1.563 -3.618) 8.673 13.698 ( -8.456 -3.114 -3.553) 9.686 14.681 ( 11.370 0.260 0.149) 11.373 14.772 ( -4.411 -0.276 9.956) 10.892 15.303 ( -0.657 -0.080 1.766) 1.886 15.733 ( -10.584 -0.301 -15.209) 18.531 16.864 ( 0.340 0.834 1.825) 2.035 16.915 ( 1.159 0.767 -1.918) 2.369 ======================= Grid point 284 (161/164) ======================= q-point: (-0.44 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -8.787 -0.395 3.497) 9.466 2.279 ( 0.813 -1.011 1.605) 2.064 2.424 ( -5.083 1.969 7.859) 9.564 2.560 ( 1.114 -1.338 -2.589) 3.120 3.286 ( -2.038 -1.123 4.766) 5.304 3.394 ( 1.181 -0.156 -4.143) 4.311 3.633 ( -2.651 1.661 -5.094) 5.978 3.637 ( 2.631 0.424 2.648) 3.757 4.049 ( 1.843 3.536 6.105) 7.292 4.089 ( -1.765 0.954 -2.327) 3.073 4.553 ( -5.289 1.410 -0.012) 5.474 4.689 ( 4.606 1.744 -2.643) 5.590 5.039 ( -9.057 3.905 -1.341) 9.954 5.222 ( 11.738 4.985 2.521) 13.000 5.346 ( 4.625 -0.058 9.931) 10.955 5.521 ( 0.974 3.231 -16.376) 16.720 5.876 ( -6.237 -0.631 0.355) 6.279 6.035 ( 10.665 -3.601 1.531) 11.360 6.378 ( -5.790 -2.393 -0.514) 6.286 6.459 ( 3.159 1.275 -0.109) 3.408 7.061 ( -2.088 -4.313 -2.616) 5.459 7.074 ( 3.008 -4.669 2.174) 5.964 7.636 ( 0.982 -0.552 1.734) 2.068 7.652 ( -1.652 -0.804 -4.138) 4.527 7.816 ( -7.445 3.766 -3.057) 8.886 7.912 ( 1.635 3.046 1.190) 3.656 8.073 ( 2.335 -3.503 1.743) 4.556 8.228 ( 9.869 -1.137 -4.584) 10.941 9.299 ( -10.922 -1.199 2.632) 11.299 9.449 ( 3.614 -1.004 1.461) 4.025 9.506 ( 0.321 -1.815 2.423) 3.045 9.570 ( 0.315 -0.754 -5.089) 5.154 10.361 ( -3.624 6.781 10.801) 13.258 10.509 ( 2.090 8.740 -0.222) 8.989 10.703 ( 0.339 -9.963 -0.906) 10.010 10.801 ( 4.076 -7.140 -4.716) 9.478 12.109 ( -0.025 3.256 3.809) 5.012 12.164 ( 0.952 0.414 -2.265) 2.492 12.783 ( -15.218 2.011 9.195) 17.894 13.212 ( 17.077 3.431 -7.004) 18.774 13.473 ( -12.292 -1.467 -0.811) 12.406 13.675 ( 8.249 -1.670 -1.449) 8.541 14.636 ( -12.697 -0.569 4.766) 13.574 14.897 ( 10.646 0.349 -1.326) 10.734 15.441 ( 2.222 0.073 3.611) 4.241 15.448 ( -2.799 -0.526 -4.147) 5.031 16.878 ( 0.094 0.751 1.374) 1.568 16.921 ( 1.189 0.943 -3.162) 3.508 ======================= Grid point 285 (162/164) ======================= q-point: (-0.33 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -8.069 1.677 8.047) 11.518 2.287 ( -2.305 -1.768 5.371) 6.106 2.442 ( -0.707 1.941 12.112) 12.287 2.590 ( 1.256 -2.145 3.929) 4.649 3.297 ( -1.310 -0.274 4.745) 4.930 3.393 ( -0.178 0.413 -0.241) 0.510 3.545 ( -0.352 0.666 -6.312) 6.357 3.711 ( 2.827 -0.188 3.137) 4.227 4.077 ( 2.296 0.079 -1.097) 2.546 4.110 ( -0.422 2.740 4.451) 5.243 4.508 ( 3.002 1.283 -1.773) 3.715 4.676 ( -2.513 3.032 -2.884) 4.881 4.896 ( -7.238 5.405 1.309) 9.127 5.363 ( 0.825 1.544 2.811) 3.311 5.398 ( 1.706 6.540 -13.810) 15.375 5.645 ( 11.747 -2.063 6.993) 13.826 5.813 ( 1.137 -2.022 -2.550) 3.447 6.239 ( 5.424 -0.157 1.219) 5.562 6.290 ( 1.498 -2.278 0.955) 2.889 6.518 ( 2.486 0.342 1.246) 2.802 6.997 ( -1.307 -5.288 -3.374) 6.407 7.161 ( 4.048 -4.179 1.955) 6.138 7.551 ( -4.597 -0.521 -5.178) 6.944 7.639 ( -1.074 0.646 -1.053) 1.637 7.702 ( -2.373 0.835 -1.088) 2.740 7.908 ( -1.642 0.243 3.343) 3.733 8.223 ( 9.768 -0.284 0.009) 9.772 8.397 ( 10.712 0.188 -4.396) 11.581 9.077 ( -13.718 -1.091 2.129) 13.925 9.454 ( -4.682 0.504 1.672) 4.997 9.505 ( -1.427 -1.162 -0.988) 2.088 9.527 ( -0.812 -2.325 -3.886) 4.600 10.396 ( 0.254 7.129 10.055) 12.328 10.572 ( 4.363 8.342 -0.416) 9.423 10.737 ( 3.682 -9.272 -0.606) 9.994 10.872 ( 5.423 -7.627 -2.005) 9.571 12.145 ( 1.904 4.567 2.408) 5.503 12.203 ( 2.969 -0.529 1.584) 3.407 12.553 ( -13.504 1.084 4.865) 14.395 13.152 ( -13.541 -1.930 -8.040) 15.866 13.512 ( 12.610 6.497 -2.117) 14.342 13.791 ( 3.681 -4.433 1.015) 5.850 14.423 ( -11.911 -0.839 4.322) 12.699 14.941 ( -3.679 0.334 -13.416) 13.915 15.366 ( 6.994 0.037 3.026) 7.621 15.713 ( 9.633 0.040 15.395) 18.160 16.887 ( 0.032 0.764 0.555) 0.945 16.911 ( 0.409 0.916 -4.636) 4.744 ======================= Grid point 286 (163/164) ======================= q-point: (-0.22 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -3.405 3.694 10.769) 11.883 2.277 ( -3.253 -2.149 8.051) 8.945 2.541 ( 1.923 2.149 11.734) 12.083 2.642 ( -0.039 -2.356 6.468) 6.883 3.270 ( -2.429 1.721 -0.513) 3.021 3.364 ( -3.686 -1.530 1.426) 4.238 3.572 ( 6.009 0.758 -1.284) 6.191 3.820 ( 6.912 -0.724 2.260) 7.308 4.112 ( -0.046 1.694 1.037) 1.987 4.149 ( 3.559 -1.095 1.746) 4.112 4.588 ( -4.537 5.494 -2.106) 7.430 4.622 ( 7.438 1.105 0.025) 7.519 4.764 ( -7.243 5.601 2.763) 9.564 5.326 ( 1.901 5.792 -11.610) 13.114 5.378 ( -1.202 -0.228 0.148) 1.232 5.782 ( -3.883 -4.753 -4.252) 7.466 5.803 ( 0.162 -2.540 8.665) 9.031 6.363 ( 9.595 3.929 6.276) 12.120 6.410 ( 5.974 -0.767 -5.743) 8.322 6.572 ( 3.128 -0.764 0.432) 3.249 6.976 ( 1.257 -5.643 -2.411) 6.264 7.264 ( 5.861 -3.633 1.583) 7.075 7.410 ( -6.607 -1.461 -4.935) 8.375 7.645 ( 3.875 1.662 -1.619) 4.517 7.711 ( 3.718 -1.200 -0.682) 3.966 7.890 ( -2.570 0.209 1.111) 2.807 8.397 ( 7.592 0.812 1.475) 7.776 8.562 ( 9.306 1.317 -3.391) 9.992 8.832 ( -12.580 -0.964 1.842) 12.751 9.296 ( -13.337 0.124 3.429) 13.771 9.445 ( -1.902 0.173 -5.479) 5.802 9.495 ( -0.821 -2.779 -1.946) 3.491 10.502 ( 4.063 8.360 7.244) 11.785 10.652 ( 4.347 8.741 -1.435) 9.867 10.821 ( 4.557 -10.008 1.082) 11.050 10.962 ( 4.796 -7.839 -0.876) 9.231 12.221 ( 3.618 4.203 3.312) 6.459 12.266 ( 0.002 0.520 2.762) 2.811 12.379 ( -4.988 -0.368 2.881) 5.772 12.823 ( -15.161 -1.752 -6.421) 16.558 13.662 ( 2.729 8.196 -1.862) 8.837 13.825 ( 0.699 -7.217 -0.696) 7.284 14.285 ( -4.897 0.044 3.561) 6.055 14.708 ( -8.820 0.893 -11.973) 14.898 15.633 ( 15.322 -0.391 6.183) 16.527 15.997 ( 8.292 0.348 16.790) 18.729 16.864 ( -1.568 0.675 -6.535) 6.754 16.881 ( -0.744 0.828 -0.877) 1.417 ======================= Grid point 287 (164/164) ======================= q-point: (-0.11 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 2.323 4.860 10.221) 11.554 2.277 ( -2.460 -2.062 7.222) 7.903 2.630 ( -1.471 2.459 8.471) 8.942 2.688 ( 2.339 -1.379 4.058) 4.883 3.231 ( -0.929 1.515 -0.660) 1.896 3.293 ( -3.885 -2.177 0.244) 4.460 3.721 ( 8.832 1.718 1.511) 9.124 3.986 ( 8.719 0.125 0.466) 8.732 4.109 ( -0.425 0.192 -0.450) 0.648 4.199 ( -1.916 -1.798 4.292) 5.032 4.485 ( -6.553 8.487 2.068) 10.919 4.602 ( -2.306 -1.612 -4.463) 5.276 4.853 ( 9.766 4.609 5.047) 11.920 5.293 ( 0.737 8.370 -7.403) 11.199 5.354 ( -1.152 -1.817 0.166) 2.157 5.582 ( -9.402 -9.575 -6.270) 14.812 5.911 ( 2.185 0.545 11.742) 11.956 6.394 ( -0.589 -0.186 -9.640) 9.659 6.565 ( 6.512 3.573 2.908) 7.977 6.652 ( 4.356 -2.292 -0.427) 4.941 7.002 ( 2.492 -4.998 -1.417) 5.762 7.241 ( -7.424 -2.290 -4.518) 8.987 7.408 ( 7.537 -2.194 2.828) 8.344 7.767 ( 8.569 1.435 -1.074) 8.755 7.807 ( -0.266 0.208 -1.945) 1.974 7.818 ( 1.937 -0.702 -2.082) 2.930 8.472 ( -5.470 0.570 10.216) 11.602 8.682 ( 5.690 2.630 -3.126) 7.004 8.726 ( 4.804 -1.138 -4.173) 6.465 9.023 ( -17.051 -0.442 3.874) 17.491 9.376 ( -1.354 0.286 -4.322) 4.538 9.461 ( -1.209 -2.249 -2.881) 3.850 10.621 ( 3.891 10.897 3.526) 12.096 10.704 ( 1.807 9.290 -1.402) 9.568 10.910 ( 3.100 -11.790 3.189) 12.601 11.031 ( 3.007 -8.164 -1.300) 8.797 12.196 ( -3.106 0.129 2.384) 3.917 12.352 ( 5.199 1.769 2.597) 6.074 12.407 ( 0.043 2.334 4.391) 4.973 12.528 ( -9.203 -2.211 -6.244) 11.340 13.594 ( -9.870 1.259 9.090) 13.477 13.824 ( 2.793 -0.045 -11.486) 11.820 14.278 ( 1.288 0.601 2.262) 2.672 14.496 ( -6.666 0.881 -5.676) 8.800 15.985 ( 16.995 -0.560 5.403) 17.842 16.229 ( 3.079 0.356 16.594) 16.881 16.768 ( -2.424 0.345 -8.482) 8.828 16.838 ( -2.578 0.883 -3.039) 4.082 =================== 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 3/27216 10.0 2417.359 3007.795 2757.950 0.000 -44.068 0.000 3/27216 20.0 285.182 314.780 417.161 0.000 -15.091 0.000 3/27216 30.0 88.117 88.893 131.181 0.000 -2.646 0.000 3/27216 40.0 43.610 42.046 64.536 0.000 -0.467 0.000 3/27216 50.0 27.031 25.283 39.496 0.000 -0.007 0.000 3/27216 60.0 18.987 17.330 27.345 0.000 0.091 0.000 3/27216 70.0 14.425 12.889 20.477 0.000 0.100 0.000 3/27216 80.0 11.559 10.137 16.186 0.000 0.088 0.000 3/27216 90.0 9.625 8.300 13.305 0.000 0.072 0.000 3/27216 100.0 8.249 7.006 11.265 0.000 0.058 0.000 3/27216 110.0 7.227 6.054 9.759 0.000 0.046 0.000 3/27216 120.0 6.442 5.328 8.609 0.000 0.038 0.000 3/27216 130.0 5.822 4.760 7.706 0.000 0.032 0.000 3/27216 140.0 5.321 4.303 6.980 0.000 0.027 0.000 3/27216 150.0 4.907 3.929 6.385 0.000 0.025 0.000 3/27216 160.0 4.560 3.617 5.889 0.000 0.023 0.000 3/27216 170.0 4.263 3.352 5.469 0.000 0.022 0.000 3/27216 180.0 4.007 3.126 5.109 0.000 0.022 0.000 3/27216 190.0 3.783 2.930 4.797 0.000 0.022 0.000 3/27216 200.0 3.586 2.757 4.523 0.000 0.022 0.000 3/27216 210.0 3.410 2.605 4.282 0.000 0.023 0.000 3/27216 220.0 3.252 2.470 4.066 0.000 0.023 0.000 3/27216 230.0 3.109 2.349 3.873 0.000 0.024 0.000 3/27216 240.0 2.979 2.239 3.698 0.000 0.024 0.000 3/27216 250.0 2.860 2.140 3.539 0.000 0.025 0.000 3/27216 260.0 2.751 2.049 3.395 0.000 0.025 0.000 3/27216 270.0 2.650 1.967 3.262 0.000 0.025 0.000 3/27216 280.0 2.557 1.890 3.140 0.000 0.026 0.000 3/27216 290.0 2.471 1.820 3.027 0.000 0.026 0.000 3/27216 300.0 2.390 1.755 2.922 0.000 0.026 0.000 3/27216 310.0 2.314 1.695 2.824 0.000 0.026 0.000 3/27216 320.0 2.244 1.638 2.734 0.000 0.026 0.000 3/27216 330.0 2.177 1.586 2.648 0.000 0.026 0.000 3/27216 340.0 2.115 1.537 2.569 0.000 0.026 0.000 3/27216 350.0 2.056 1.490 2.494 0.000 0.026 0.000 3/27216 360.0 2.000 1.447 2.423 0.000 0.026 0.000 3/27216 370.0 1.948 1.406 2.357 0.000 0.026 0.000 3/27216 380.0 1.898 1.368 2.294 0.000 0.026 0.000 3/27216 390.0 1.850 1.331 2.234 0.000 0.026 0.000 3/27216 400.0 1.805 1.297 2.178 0.000 0.026 0.000 3/27216 410.0 1.762 1.264 2.124 0.000 0.026 0.000 3/27216 420.0 1.721 1.233 2.073 0.000 0.026 0.000 3/27216 430.0 1.682 1.203 2.024 0.000 0.025 0.000 3/27216 440.0 1.645 1.175 1.978 0.000 0.025 0.000 3/27216 450.0 1.609 1.148 1.934 0.000 0.025 0.000 3/27216 460.0 1.575 1.122 1.891 0.000 0.025 0.000 3/27216 470.0 1.542 1.098 1.851 0.000 0.024 0.000 3/27216 480.0 1.511 1.074 1.812 0.000 0.024 0.000 3/27216 490.0 1.480 1.052 1.775 0.000 0.024 0.000 3/27216 500.0 1.451 1.030 1.739 0.000 0.024 0.000 3/27216 510.0 1.424 1.010 1.705 0.000 0.024 0.000 3/27216 520.0 1.397 0.990 1.672 0.000 0.023 0.000 3/27216 530.0 1.371 0.971 1.641 0.000 0.023 0.000 3/27216 540.0 1.346 0.953 1.610 0.000 0.023 0.000 3/27216 550.0 1.322 0.935 1.581 0.000 0.023 0.000 3/27216 560.0 1.299 0.918 1.553 0.000 0.022 0.000 3/27216 570.0 1.276 0.902 1.525 0.000 0.022 0.000 3/27216 580.0 1.255 0.886 1.499 0.000 0.022 0.000 3/27216 590.0 1.234 0.870 1.474 0.000 0.022 0.000 3/27216 600.0 1.214 0.856 1.449 0.000 0.021 0.000 3/27216 610.0 1.194 0.841 1.425 0.000 0.021 0.000 3/27216 620.0 1.175 0.828 1.402 0.000 0.021 0.000 3/27216 630.0 1.157 0.814 1.380 0.000 0.021 0.000 3/27216 640.0 1.139 0.801 1.358 0.000 0.021 0.000 3/27216 650.0 1.122 0.789 1.338 0.000 0.020 0.000 3/27216 660.0 1.105 0.777 1.317 0.000 0.020 0.000 3/27216 670.0 1.089 0.765 1.298 0.000 0.020 0.000 3/27216 680.0 1.073 0.754 1.279 0.000 0.020 0.000 3/27216 690.0 1.058 0.743 1.260 0.000 0.019 0.000 3/27216 700.0 1.043 0.732 1.242 0.000 0.019 0.000 3/27216 710.0 1.028 0.722 1.225 0.000 0.019 0.000 3/27216 720.0 1.014 0.711 1.208 0.000 0.019 0.000 3/27216 730.0 1.000 0.702 1.191 0.000 0.019 0.000 3/27216 740.0 0.987 0.692 1.175 0.000 0.019 0.000 3/27216 750.0 0.974 0.683 1.159 0.000 0.018 0.000 3/27216 760.0 0.961 0.674 1.144 0.000 0.018 0.000 3/27216 770.0 0.949 0.665 1.129 0.000 0.018 0.000 3/27216 780.0 0.937 0.656 1.115 0.000 0.018 0.000 3/27216 790.0 0.925 0.648 1.101 0.000 0.018 0.000 3/27216 800.0 0.914 0.640 1.087 0.000 0.017 0.000 3/27216 810.0 0.903 0.632 1.073 0.000 0.017 0.000 3/27216 820.0 0.892 0.624 1.060 0.000 0.017 0.000 3/27216 830.0 0.881 0.616 1.048 0.000 0.017 0.000 3/27216 840.0 0.871 0.609 1.035 0.000 0.017 0.000 3/27216 850.0 0.861 0.602 1.023 0.000 0.017 0.000 3/27216 860.0 0.851 0.595 1.011 0.000 0.016 0.000 3/27216 870.0 0.841 0.588 0.999 0.000 0.016 0.000 3/27216 880.0 0.831 0.581 0.988 0.000 0.016 0.000 3/27216 890.0 0.822 0.575 0.977 0.000 0.016 0.000 3/27216 900.0 0.813 0.568 0.966 0.000 0.016 0.000 3/27216 910.0 0.804 0.562 0.956 0.000 0.016 0.000 3/27216 920.0 0.796 0.556 0.945 0.000 0.016 0.000 3/27216 930.0 0.787 0.550 0.935 0.000 0.015 0.000 3/27216 940.0 0.779 0.544 0.925 0.000 0.015 0.000 3/27216 950.0 0.771 0.538 0.915 0.000 0.015 0.000 3/27216 960.0 0.763 0.532 0.906 0.000 0.015 0.000 3/27216 970.0 0.755 0.527 0.896 0.000 0.015 0.000 3/27216 980.0 0.747 0.521 0.887 0.000 0.015 0.000 3/27216 990.0 0.740 0.516 0.878 0.000 0.015 0.000 3/27216 1000.0 0.732 0.511 0.870 0.000 0.014 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m979.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:19:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|