----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:52:04]------------------------- 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: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.434806140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473409379999998 Atomic positions (fractional): *1 Na 0.76399572706681 0.25000000000000 0.50000000000000 22.990 2 Na 0.23600427293318 0.75000000000000 0.00000000000000 22.990 3 Na 0.23600427293318 0.75000000000000 0.50000000000000 22.990 4 Na 0.76399572706681 0.25000000000000 0.00000000000000 22.990 *5 H 0.81814476179343 0.91021080485012 0.25000000000000 1.008 6 H 0.18185523820657 0.08978919514988 0.75000000000000 1.008 7 H 0.81814476179343 0.58978919514988 0.75000000000000 1.008 8 H 0.18185523820657 0.41021080485012 0.25000000000000 1.008 *9 C 0.19141991826641 0.04901076850156 0.25000000000000 12.011 10 C 0.80858008173359 0.95098923149844 0.75000000000000 12.011 11 C 0.19141991826641 0.45098923149844 0.75000000000000 12.011 12 C 0.80858008173359 0.54901076850156 0.25000000000000 12.011 *13 N 0.29313148096977 0.15977188563612 0.25000000000000 14.007 14 N 0.70686851903023 0.84022811436388 0.75000000000000 14.007 15 N 0.29313148096977 0.34022811436388 0.75000000000000 14.007 16 N 0.70686851903023 0.65977188563612 0.25000000000000 14.007 *17 N 0.11270946522365 0.92917088423313 0.25000000000000 14.007 18 N 0.88729053477635 0.07082911576687 0.75000000000000 14.007 19 N 0.11270946522365 0.57082911576687 0.75000000000000 14.007 20 N 0.88729053477635 0.42917088423313 0.25000000000000 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.434806140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473409379999998 Atomic positions (fractional): *1 Na 0.76399572706681 0.25000000000000 0.50000000000000 22.990 > 1 2 Na 0.23600427293318 0.75000000000000 0.00000000000000 22.990 > 2 3 Na 0.23600427293318 0.75000000000000 0.50000000000000 22.990 > 3 4 Na 0.76399572706681 0.25000000000000 0.00000000000000 22.990 > 4 *5 H 0.81814476179343 0.91021080485012 0.25000000000000 1.008 > 5 6 H 0.18185523820657 0.08978919514988 0.75000000000000 1.008 > 6 7 H 0.81814476179343 0.58978919514988 0.75000000000000 1.008 > 7 8 H 0.18185523820657 0.41021080485012 0.25000000000000 1.008 > 8 *9 C 0.19141991826641 0.04901076850156 0.25000000000000 12.011 > 9 10 C 0.80858008173359 0.95098923149844 0.75000000000000 12.011 > 10 11 C 0.19141991826641 0.45098923149844 0.75000000000000 12.011 > 11 12 C 0.80858008173359 0.54901076850156 0.25000000000000 12.011 > 12 *13 N 0.29313148096977 0.15977188563612 0.25000000000000 14.007 > 13 14 N 0.70686851903023 0.84022811436388 0.75000000000000 14.007 > 14 15 N 0.29313148096977 0.34022811436388 0.75000000000000 14.007 > 15 16 N 0.70686851903023 0.65977188563612 0.25000000000000 14.007 > 16 *17 N 0.11270946522365 0.92917088423313 0.25000000000000 14.007 > 17 18 N 0.88729053477635 0.07082911576687 0.75000000000000 14.007 > 18 19 N 0.11270946522365 0.57082911576687 0.75000000000000 14.007 > 19 20 N 0.88729053477635 0.42917088423313 0.25000000000000 14.007 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.304418420000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946818759999996 Atomic positions (fractional): *1 Na 0.25466524235560 0.25000000000000 0.25000000000000 22.990 > 1 2 Na 0.58799857568894 0.25000000000000 0.25000000000000 22.990 > 1 3 Na 0.92133190902227 0.25000000000000 0.25000000000000 22.990 > 1 4 Na 0.25466524235560 0.25000000000000 0.75000000000000 22.990 > 1 5 Na 0.58799857568894 0.25000000000000 0.75000000000000 22.990 > 1 6 Na 0.92133190902227 0.25000000000000 0.75000000000000 22.990 > 1 7 Na 0.07866809097773 0.75000000000000 0.00000000000000 22.990 > 2 8 Na 0.41200142431106 0.75000000000000 0.00000000000000 22.990 > 2 9 Na 0.74533475764439 0.75000000000000 0.00000000000000 22.990 > 2 10 Na 0.07866809097773 0.75000000000000 0.50000000000000 22.990 > 2 11 Na 0.41200142431106 0.75000000000000 0.50000000000000 22.990 > 2 12 Na 0.74533475764439 0.75000000000000 0.50000000000000 22.990 > 2 13 Na 0.07866809097773 0.75000000000000 0.25000000000000 22.990 > 3 14 Na 0.41200142431106 0.75000000000000 0.25000000000000 22.990 > 3 15 Na 0.74533475764439 0.75000000000000 0.25000000000000 22.990 > 3 16 Na 0.07866809097773 0.75000000000000 0.75000000000000 22.990 > 3 17 Na 0.41200142431106 0.75000000000000 0.75000000000000 22.990 > 3 18 Na 0.74533475764439 0.75000000000000 0.75000000000000 22.990 > 3 19 Na 0.25466524235560 0.25000000000000 0.00000000000000 22.990 > 4 20 Na 0.58799857568894 0.25000000000000 0.00000000000000 22.990 > 4 21 Na 0.92133190902227 0.25000000000000 0.00000000000000 22.990 > 4 22 Na 0.25466524235560 0.25000000000000 0.50000000000000 22.990 > 4 23 Na 0.58799857568894 0.25000000000000 0.50000000000000 22.990 > 4 24 Na 0.92133190902227 0.25000000000000 0.50000000000000 22.990 > 4 *25 H 0.27271492059781 0.91021080485012 0.12500000000000 1.008 > 5 26 H 0.60604825393114 0.91021080485012 0.12500000000000 1.008 > 5 27 H 0.93938158726448 0.91021080485012 0.12500000000000 1.008 > 5 28 H 0.27271492059781 0.91021080485012 0.62500000000000 1.008 > 5 29 H 0.60604825393114 0.91021080485012 0.62500000000000 1.008 > 5 30 H 0.93938158726448 0.91021080485012 0.62500000000000 1.008 > 5 31 H 0.06061841273552 0.08978919514988 0.37500000000000 1.008 > 6 32 H 0.39395174606886 0.08978919514988 0.37500000000000 1.008 > 6 33 H 0.72728507940219 0.08978919514988 0.37500000000000 1.008 > 6 34 H 0.06061841273552 0.08978919514988 0.87500000000000 1.008 > 6 35 H 0.39395174606886 0.08978919514988 0.87500000000000 1.008 > 6 36 H 0.72728507940219 0.08978919514988 0.87500000000000 1.008 > 6 37 H 0.27271492059781 0.58978919514988 0.37500000000000 1.008 > 7 38 H 0.60604825393114 0.58978919514988 0.37500000000000 1.008 > 7 39 H 0.93938158726448 0.58978919514988 0.37500000000000 1.008 > 7 40 H 0.27271492059781 0.58978919514988 0.87500000000000 1.008 > 7 41 H 0.60604825393114 0.58978919514988 0.87500000000000 1.008 > 7 42 H 0.93938158726448 0.58978919514988 0.87500000000000 1.008 > 7 43 H 0.06061841273552 0.41021080485012 0.12500000000000 1.008 > 8 44 H 0.39395174606886 0.41021080485012 0.12500000000000 1.008 > 8 45 H 0.72728507940219 0.41021080485012 0.12500000000000 1.008 > 8 46 H 0.06061841273552 0.41021080485012 0.62500000000000 1.008 > 8 47 H 0.39395174606886 0.41021080485012 0.62500000000000 1.008 > 8 48 H 0.72728507940219 0.41021080485012 0.62500000000000 1.008 > 8 *49 C 0.06380663942214 0.04901076850156 0.12500000000000 12.011 > 9 50 C 0.39713997275547 0.04901076850156 0.12500000000000 12.011 > 9 51 C 0.73047330608880 0.04901076850156 0.12500000000000 12.011 > 9 52 C 0.06380663942214 0.04901076850156 0.62500000000000 12.011 > 9 53 C 0.39713997275547 0.04901076850156 0.62500000000000 12.011 > 9 54 C 0.73047330608880 0.04901076850156 0.62500000000000 12.011 > 9 55 C 0.26952669391120 0.95098923149844 0.37500000000000 12.011 > 10 56 C 0.60286002724453 0.95098923149844 0.37500000000000 12.011 > 10 57 C 0.93619336057786 0.95098923149844 0.37500000000000 12.011 > 10 58 C 0.26952669391120 0.95098923149844 0.87500000000000 12.011 > 10 59 C 0.60286002724453 0.95098923149844 0.87500000000000 12.011 > 10 60 C 0.93619336057786 0.95098923149844 0.87500000000000 12.011 > 10 61 C 0.06380663942214 0.45098923149844 0.37500000000000 12.011 > 11 62 C 0.39713997275547 0.45098923149844 0.37500000000000 12.011 > 11 63 C 0.73047330608880 0.45098923149844 0.37500000000000 12.011 > 11 64 C 0.06380663942214 0.45098923149844 0.87500000000000 12.011 > 11 65 C 0.39713997275547 0.45098923149844 0.87500000000000 12.011 > 11 66 C 0.73047330608880 0.45098923149844 0.87500000000000 12.011 > 11 67 C 0.26952669391120 0.54901076850156 0.12500000000000 12.011 > 12 68 C 0.60286002724453 0.54901076850156 0.12500000000000 12.011 > 12 69 C 0.93619336057786 0.54901076850156 0.12500000000000 12.011 > 12 70 C 0.26952669391120 0.54901076850156 0.62500000000000 12.011 > 12 71 C 0.60286002724453 0.54901076850156 0.62500000000000 12.011 > 12 72 C 0.93619336057786 0.54901076850156 0.62500000000000 12.011 > 12 *73 N 0.09771049365659 0.15977188563612 0.12500000000000 14.007 > 13 74 N 0.43104382698992 0.15977188563612 0.12500000000000 14.007 > 13 75 N 0.76437716032326 0.15977188563612 0.12500000000000 14.007 > 13 76 N 0.09771049365659 0.15977188563612 0.62500000000000 14.007 > 13 77 N 0.43104382698992 0.15977188563612 0.62500000000000 14.007 > 13 78 N 0.76437716032326 0.15977188563612 0.62500000000000 14.007 > 13 79 N 0.23562283967674 0.84022811436388 0.37500000000000 14.007 > 14 80 N 0.56895617301008 0.84022811436388 0.37500000000000 14.007 > 14 81 N 0.90228950634341 0.84022811436388 0.37500000000000 14.007 > 14 82 N 0.23562283967674 0.84022811436388 0.87500000000000 14.007 > 14 83 N 0.56895617301008 0.84022811436388 0.87500000000000 14.007 > 14 84 N 0.90228950634341 0.84022811436388 0.87500000000000 14.007 > 14 85 N 0.09771049365659 0.34022811436388 0.37500000000000 14.007 > 15 86 N 0.43104382698992 0.34022811436388 0.37500000000000 14.007 > 15 87 N 0.76437716032326 0.34022811436388 0.37500000000000 14.007 > 15 88 N 0.09771049365659 0.34022811436388 0.87500000000000 14.007 > 15 89 N 0.43104382698992 0.34022811436388 0.87500000000000 14.007 > 15 90 N 0.76437716032326 0.34022811436388 0.87500000000000 14.007 > 15 91 N 0.23562283967674 0.65977188563612 0.12500000000000 14.007 > 16 92 N 0.56895617301008 0.65977188563612 0.12500000000000 14.007 > 16 93 N 0.90228950634341 0.65977188563612 0.12500000000000 14.007 > 16 94 N 0.23562283967674 0.65977188563612 0.62500000000000 14.007 > 16 95 N 0.56895617301008 0.65977188563612 0.62500000000000 14.007 > 16 96 N 0.90228950634341 0.65977188563612 0.62500000000000 14.007 > 16 *97 N 0.03756982174122 0.92917088423313 0.12500000000000 14.007 > 17 98 N 0.37090315507455 0.92917088423313 0.12500000000000 14.007 > 17 99 N 0.70423648840788 0.92917088423313 0.12500000000000 14.007 > 17 100 N 0.03756982174122 0.92917088423313 0.62500000000000 14.007 > 17 101 N 0.37090315507455 0.92917088423313 0.62500000000000 14.007 > 17 102 N 0.70423648840788 0.92917088423313 0.62500000000000 14.007 > 17 103 N 0.29576351159212 0.07082911576687 0.37500000000000 14.007 > 18 104 N 0.62909684492545 0.07082911576687 0.37500000000000 14.007 > 18 105 N 0.96243017825878 0.07082911576687 0.37500000000000 14.007 > 18 106 N 0.29576351159212 0.07082911576687 0.87500000000000 14.007 > 18 107 N 0.62909684492545 0.07082911576687 0.87500000000000 14.007 > 18 108 N 0.96243017825878 0.07082911576687 0.87500000000000 14.007 > 18 109 N 0.03756982174122 0.57082911576687 0.37500000000000 14.007 > 19 110 N 0.37090315507455 0.57082911576687 0.37500000000000 14.007 > 19 111 N 0.70423648840788 0.57082911576687 0.37500000000000 14.007 > 19 112 N 0.03756982174122 0.57082911576687 0.87500000000000 14.007 > 19 113 N 0.37090315507455 0.57082911576687 0.87500000000000 14.007 > 19 114 N 0.70423648840788 0.57082911576687 0.87500000000000 14.007 > 19 115 N 0.29576351159212 0.42917088423313 0.12500000000000 14.007 > 20 116 N 0.62909684492545 0.42917088423313 0.12500000000000 14.007 > 20 117 N 0.96243017825878 0.42917088423313 0.12500000000000 14.007 > 20 118 N 0.29576351159212 0.42917088423313 0.62500000000000 14.007 > 20 119 N 0.62909684492545 0.42917088423313 0.62500000000000 14.007 > 20 120 N 0.96243017825878 0.42917088423313 0.62500000000000 14.007 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3618585 0.0000000 0.0000000 0.0000000 3.2680363 0.0000000 0.0000000 0.0000000 2.2178354 -------------------------- Born effective charges -------------------------- 1 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 0.1010472 0.0000000 0.0277515 1.0730892 2 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 -0.1010472 0.0000000 -0.0277515 1.0730892 3 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 0.1010472 0.0000000 0.0277515 1.0730892 4 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 -0.1010472 0.0000000 -0.0277515 1.0730892 5 H 0.3935603 0.1133847 0.0000000 -0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 6 H 0.3935603 0.1133847 0.0000000 -0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 7 H 0.3935603 -0.1133847 0.0000000 0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 8 H 0.3935603 -0.1133847 0.0000000 0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 9 C 0.2340849 0.4874117 0.0000000 0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 10 C 0.2340849 0.4874117 0.0000000 0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 11 C 0.2340849 -0.4874117 0.0000000 -0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 12 C 0.2340849 -0.4874117 0.0000000 -0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 13 N -0.9267012 -0.1507373 0.0000000 -0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 14 N -0.9267012 -0.1507373 0.0000000 -0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 15 N -0.9267012 0.1507373 0.0000000 0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 16 N -0.9267012 0.1507373 0.0000000 0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 17 N -0.7353341 -0.4144773 0.0000000 -0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 18 N -0.7353341 -0.4144773 0.0000000 -0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 19 N -0.7353341 0.4144773 0.0000000 0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 20 N -0.7353341 0.4144773 0.0000000 0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1491 Number of blocks in projector: 1491 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: 390 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 231 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 231 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 231 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 198 Use standard eigh solver. Tree of FC basis block matrices: - (1491, 1466), data: False |-- (198, 198), data: True |-- (210, 208), data: True |-- (231, 226), data: True |-- (231, 226), data: True |-- (231, 226), data: True |-- (390, 382), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.076 Solver_block: 200 / 320 - Time: 2.101 Solver_block: 300 / 320 - Time: 2.105 Solver_block: 320 / 320 - Time: 0.518 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.833 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1491 Number of blocks in projector: 1491 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: 390 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 231 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 231 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 231 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 198 Use standard eigh solver. Tree of FC basis block matrices: - (1491, 1466), data: False |-- (198, 198), data: True |-- (210, 208), data: True |-- (231, 226), data: True |-- (231, 226), data: True |-- (231, 226), data: True |-- (390, 382), 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 20:52:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:52:26]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.434806140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473409379999998 Atomic positions (fractional): 1 Na 0.76399572706681 0.25000000000000 0.50000000000000 22.990 2 Na 0.23600427293318 0.75000000000000 0.00000000000000 22.990 3 Na 0.23600427293318 0.75000000000000 0.50000000000000 22.990 4 Na 0.76399572706681 0.25000000000000 0.00000000000000 22.990 5 H 0.81814476179343 0.91021080485012 0.25000000000000 1.008 6 H 0.18185523820657 0.08978919514988 0.75000000000000 1.008 7 H 0.81814476179343 0.58978919514988 0.75000000000000 1.008 8 H 0.18185523820657 0.41021080485012 0.25000000000000 1.008 9 C 0.19141991826641 0.04901076850156 0.25000000000000 12.011 10 C 0.80858008173359 0.95098923149844 0.75000000000000 12.011 11 C 0.19141991826641 0.45098923149844 0.75000000000000 12.011 12 C 0.80858008173359 0.54901076850156 0.25000000000000 12.011 13 N 0.29313148096977 0.15977188563612 0.25000000000000 14.007 14 N 0.70686851903023 0.84022811436388 0.75000000000000 14.007 15 N 0.29313148096977 0.34022811436388 0.75000000000000 14.007 16 N 0.70686851903023 0.65977188563612 0.25000000000000 14.007 17 N 0.11270946522365 0.92917088423313 0.25000000000000 14.007 18 N 0.88729053477635 0.07082911576687 0.75000000000000 14.007 19 N 0.11270946522365 0.57082911576687 0.75000000000000 14.007 20 N 0.88729053477635 0.42917088423313 0.25000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.304418420000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946818759999996 Atomic positions (fractional): 1 Na 0.25466524235560 0.25000000000000 0.25000000000000 22.990 > 1 2 Na 0.58799857568894 0.25000000000000 0.25000000000000 22.990 > 1 3 Na 0.92133190902227 0.25000000000000 0.25000000000000 22.990 > 1 4 Na 0.25466524235560 0.25000000000000 0.75000000000000 22.990 > 1 5 Na 0.58799857568894 0.25000000000000 0.75000000000000 22.990 > 1 6 Na 0.92133190902227 0.25000000000000 0.75000000000000 22.990 > 1 7 Na 0.07866809097773 0.75000000000000 0.00000000000000 22.990 > 7 8 Na 0.41200142431106 0.75000000000000 0.00000000000000 22.990 > 7 9 Na 0.74533475764439 0.75000000000000 0.00000000000000 22.990 > 7 10 Na 0.07866809097773 0.75000000000000 0.50000000000000 22.990 > 7 11 Na 0.41200142431106 0.75000000000000 0.50000000000000 22.990 > 7 12 Na 0.74533475764439 0.75000000000000 0.50000000000000 22.990 > 7 13 Na 0.07866809097773 0.75000000000000 0.25000000000000 22.990 > 13 14 Na 0.41200142431106 0.75000000000000 0.25000000000000 22.990 > 13 15 Na 0.74533475764439 0.75000000000000 0.25000000000000 22.990 > 13 16 Na 0.07866809097773 0.75000000000000 0.75000000000000 22.990 > 13 17 Na 0.41200142431106 0.75000000000000 0.75000000000000 22.990 > 13 18 Na 0.74533475764439 0.75000000000000 0.75000000000000 22.990 > 13 19 Na 0.25466524235560 0.25000000000000 0.00000000000000 22.990 > 19 20 Na 0.58799857568894 0.25000000000000 0.00000000000000 22.990 > 19 21 Na 0.92133190902227 0.25000000000000 0.00000000000000 22.990 > 19 22 Na 0.25466524235560 0.25000000000000 0.50000000000000 22.990 > 19 23 Na 0.58799857568894 0.25000000000000 0.50000000000000 22.990 > 19 24 Na 0.92133190902227 0.25000000000000 0.50000000000000 22.990 > 19 25 H 0.27271492059781 0.91021080485012 0.12500000000000 1.008 > 25 26 H 0.60604825393114 0.91021080485012 0.12500000000000 1.008 > 25 27 H 0.93938158726448 0.91021080485012 0.12500000000000 1.008 > 25 28 H 0.27271492059781 0.91021080485012 0.62500000000000 1.008 > 25 29 H 0.60604825393114 0.91021080485012 0.62500000000000 1.008 > 25 30 H 0.93938158726448 0.91021080485012 0.62500000000000 1.008 > 25 31 H 0.06061841273552 0.08978919514988 0.37500000000000 1.008 > 31 32 H 0.39395174606886 0.08978919514988 0.37500000000000 1.008 > 31 33 H 0.72728507940219 0.08978919514988 0.37500000000000 1.008 > 31 34 H 0.06061841273552 0.08978919514988 0.87500000000000 1.008 > 31 35 H 0.39395174606886 0.08978919514988 0.87500000000000 1.008 > 31 36 H 0.72728507940219 0.08978919514988 0.87500000000000 1.008 > 31 37 H 0.27271492059781 0.58978919514988 0.37500000000000 1.008 > 37 38 H 0.60604825393114 0.58978919514988 0.37500000000000 1.008 > 37 39 H 0.93938158726448 0.58978919514988 0.37500000000000 1.008 > 37 40 H 0.27271492059781 0.58978919514988 0.87500000000000 1.008 > 37 41 H 0.60604825393114 0.58978919514988 0.87500000000000 1.008 > 37 42 H 0.93938158726448 0.58978919514988 0.87500000000000 1.008 > 37 43 H 0.06061841273552 0.41021080485012 0.12500000000000 1.008 > 43 44 H 0.39395174606886 0.41021080485012 0.12500000000000 1.008 > 43 45 H 0.72728507940219 0.41021080485012 0.12500000000000 1.008 > 43 46 H 0.06061841273552 0.41021080485012 0.62500000000000 1.008 > 43 47 H 0.39395174606886 0.41021080485012 0.62500000000000 1.008 > 43 48 H 0.72728507940219 0.41021080485012 0.62500000000000 1.008 > 43 49 C 0.06380663942214 0.04901076850156 0.12500000000000 12.011 > 49 50 C 0.39713997275547 0.04901076850156 0.12500000000000 12.011 > 49 51 C 0.73047330608880 0.04901076850156 0.12500000000000 12.011 > 49 52 C 0.06380663942214 0.04901076850156 0.62500000000000 12.011 > 49 53 C 0.39713997275547 0.04901076850156 0.62500000000000 12.011 > 49 54 C 0.73047330608880 0.04901076850156 0.62500000000000 12.011 > 49 55 C 0.26952669391120 0.95098923149844 0.37500000000000 12.011 > 55 56 C 0.60286002724453 0.95098923149844 0.37500000000000 12.011 > 55 57 C 0.93619336057786 0.95098923149844 0.37500000000000 12.011 > 55 58 C 0.26952669391120 0.95098923149844 0.87500000000000 12.011 > 55 59 C 0.60286002724453 0.95098923149844 0.87500000000000 12.011 > 55 60 C 0.93619336057786 0.95098923149844 0.87500000000000 12.011 > 55 61 C 0.06380663942214 0.45098923149844 0.37500000000000 12.011 > 61 62 C 0.39713997275547 0.45098923149844 0.37500000000000 12.011 > 61 63 C 0.73047330608880 0.45098923149844 0.37500000000000 12.011 > 61 64 C 0.06380663942214 0.45098923149844 0.87500000000000 12.011 > 61 65 C 0.39713997275547 0.45098923149844 0.87500000000000 12.011 > 61 66 C 0.73047330608880 0.45098923149844 0.87500000000000 12.011 > 61 67 C 0.26952669391120 0.54901076850156 0.12500000000000 12.011 > 67 68 C 0.60286002724453 0.54901076850156 0.12500000000000 12.011 > 67 69 C 0.93619336057786 0.54901076850156 0.12500000000000 12.011 > 67 70 C 0.26952669391120 0.54901076850156 0.62500000000000 12.011 > 67 71 C 0.60286002724453 0.54901076850156 0.62500000000000 12.011 > 67 72 C 0.93619336057786 0.54901076850156 0.62500000000000 12.011 > 67 73 N 0.09771049365659 0.15977188563612 0.12500000000000 14.007 > 73 74 N 0.43104382698992 0.15977188563612 0.12500000000000 14.007 > 73 75 N 0.76437716032326 0.15977188563612 0.12500000000000 14.007 > 73 76 N 0.09771049365659 0.15977188563612 0.62500000000000 14.007 > 73 77 N 0.43104382698992 0.15977188563612 0.62500000000000 14.007 > 73 78 N 0.76437716032326 0.15977188563612 0.62500000000000 14.007 > 73 79 N 0.23562283967674 0.84022811436388 0.37500000000000 14.007 > 79 80 N 0.56895617301008 0.84022811436388 0.37500000000000 14.007 > 79 81 N 0.90228950634341 0.84022811436388 0.37500000000000 14.007 > 79 82 N 0.23562283967674 0.84022811436388 0.87500000000000 14.007 > 79 83 N 0.56895617301008 0.84022811436388 0.87500000000000 14.007 > 79 84 N 0.90228950634341 0.84022811436388 0.87500000000000 14.007 > 79 85 N 0.09771049365659 0.34022811436388 0.37500000000000 14.007 > 85 86 N 0.43104382698992 0.34022811436388 0.37500000000000 14.007 > 85 87 N 0.76437716032326 0.34022811436388 0.37500000000000 14.007 > 85 88 N 0.09771049365659 0.34022811436388 0.87500000000000 14.007 > 85 89 N 0.43104382698992 0.34022811436388 0.87500000000000 14.007 > 85 90 N 0.76437716032326 0.34022811436388 0.87500000000000 14.007 > 85 91 N 0.23562283967674 0.65977188563612 0.12500000000000 14.007 > 91 92 N 0.56895617301008 0.65977188563612 0.12500000000000 14.007 > 91 93 N 0.90228950634341 0.65977188563612 0.12500000000000 14.007 > 91 94 N 0.23562283967674 0.65977188563612 0.62500000000000 14.007 > 91 95 N 0.56895617301008 0.65977188563612 0.62500000000000 14.007 > 91 96 N 0.90228950634341 0.65977188563612 0.62500000000000 14.007 > 91 97 N 0.03756982174122 0.92917088423313 0.12500000000000 14.007 > 97 98 N 0.37090315507455 0.92917088423313 0.12500000000000 14.007 > 97 99 N 0.70423648840788 0.92917088423313 0.12500000000000 14.007 > 97 100 N 0.03756982174122 0.92917088423313 0.62500000000000 14.007 > 97 101 N 0.37090315507455 0.92917088423313 0.62500000000000 14.007 > 97 102 N 0.70423648840788 0.92917088423313 0.62500000000000 14.007 > 97 103 N 0.29576351159212 0.07082911576687 0.37500000000000 14.007 > 103 104 N 0.62909684492545 0.07082911576687 0.37500000000000 14.007 > 103 105 N 0.96243017825878 0.07082911576687 0.37500000000000 14.007 > 103 106 N 0.29576351159212 0.07082911576687 0.87500000000000 14.007 > 103 107 N 0.62909684492545 0.07082911576687 0.87500000000000 14.007 > 103 108 N 0.96243017825878 0.07082911576687 0.87500000000000 14.007 > 103 109 N 0.03756982174122 0.57082911576687 0.37500000000000 14.007 > 109 110 N 0.37090315507455 0.57082911576687 0.37500000000000 14.007 > 109 111 N 0.70423648840788 0.57082911576687 0.37500000000000 14.007 > 109 112 N 0.03756982174122 0.57082911576687 0.87500000000000 14.007 > 109 113 N 0.37090315507455 0.57082911576687 0.87500000000000 14.007 > 109 114 N 0.70423648840788 0.57082911576687 0.87500000000000 14.007 > 109 115 N 0.29576351159212 0.42917088423313 0.12500000000000 14.007 > 115 116 N 0.62909684492545 0.42917088423313 0.12500000000000 14.007 > 115 117 N 0.96243017825878 0.42917088423313 0.12500000000000 14.007 > 115 118 N 0.29576351159212 0.42917088423313 0.62500000000000 14.007 > 115 119 N 0.62909684492545 0.42917088423313 0.62500000000000 14.007 > 115 120 N 0.96243017825878 0.42917088423313 0.62500000000000 14.007 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3618585 0.0000000 0.0000000 0.0000000 3.2680363 0.0000000 0.0000000 0.0000000 2.2178354 -------------------------- Born effective charges -------------------------- 1 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 0.1010472 0.0000000 0.0277515 1.0730892 2 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 -0.1010472 0.0000000 -0.0277515 1.0730892 3 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 0.1010472 0.0000000 0.0277515 1.0730892 4 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 -0.1010472 0.0000000 -0.0277515 1.0730892 5 H 0.3935603 0.1133847 0.0000000 -0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 6 H 0.3935603 0.1133847 0.0000000 -0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 7 H 0.3935603 -0.1133847 0.0000000 0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 8 H 0.3935603 -0.1133847 0.0000000 0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 9 C 0.2340849 0.4874117 0.0000000 0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 10 C 0.2340849 0.4874117 0.0000000 0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 11 C 0.2340849 -0.4874117 0.0000000 -0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 12 C 0.2340849 -0.4874117 0.0000000 -0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 13 N -0.9267012 -0.1507373 0.0000000 -0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 14 N -0.9267012 -0.1507373 0.0000000 -0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 15 N -0.9267012 0.1507373 0.0000000 0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 16 N -0.9267012 0.1507373 0.0000000 0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 17 N -0.7353341 -0.4144773 0.0000000 -0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 18 N -0.7353341 -0.4144773 0.0000000 -0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 19 N -0.7353341 0.4144773 0.0000000 0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 20 N -0.7353341 0.4144773 0.0000000 0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 20:52:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:52:46]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.434806140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473409379999998 Atomic positions (fractional): 1 Na 0.76399572706681 0.25000000000000 0.50000000000000 22.990 2 Na 0.23600427293318 0.75000000000000 0.00000000000000 22.990 3 Na 0.23600427293318 0.75000000000000 0.50000000000000 22.990 4 Na 0.76399572706681 0.25000000000000 0.00000000000000 22.990 5 H 0.81814476179343 0.91021080485012 0.25000000000000 1.008 6 H 0.18185523820657 0.08978919514988 0.75000000000000 1.008 7 H 0.81814476179343 0.58978919514988 0.75000000000000 1.008 8 H 0.18185523820657 0.41021080485012 0.25000000000000 1.008 9 C 0.19141991826641 0.04901076850156 0.25000000000000 12.011 10 C 0.80858008173359 0.95098923149844 0.75000000000000 12.011 11 C 0.19141991826641 0.45098923149844 0.75000000000000 12.011 12 C 0.80858008173359 0.54901076850156 0.25000000000000 12.011 13 N 0.29313148096977 0.15977188563612 0.25000000000000 14.007 14 N 0.70686851903023 0.84022811436388 0.75000000000000 14.007 15 N 0.29313148096977 0.34022811436388 0.75000000000000 14.007 16 N 0.70686851903023 0.65977188563612 0.25000000000000 14.007 17 N 0.11270946522365 0.92917088423313 0.25000000000000 14.007 18 N 0.88729053477635 0.07082911576687 0.75000000000000 14.007 19 N 0.11270946522365 0.57082911576687 0.75000000000000 14.007 20 N 0.88729053477635 0.42917088423313 0.25000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.304418420000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.383050619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946818759999996 Atomic positions (fractional): 1 Na 0.25466524235560 0.25000000000000 0.25000000000000 22.990 > 1 2 Na 0.58799857568894 0.25000000000000 0.25000000000000 22.990 > 1 3 Na 0.92133190902227 0.25000000000000 0.25000000000000 22.990 > 1 4 Na 0.25466524235560 0.25000000000000 0.75000000000000 22.990 > 1 5 Na 0.58799857568894 0.25000000000000 0.75000000000000 22.990 > 1 6 Na 0.92133190902227 0.25000000000000 0.75000000000000 22.990 > 1 7 Na 0.07866809097773 0.75000000000000 0.00000000000000 22.990 > 7 8 Na 0.41200142431106 0.75000000000000 0.00000000000000 22.990 > 7 9 Na 0.74533475764439 0.75000000000000 0.00000000000000 22.990 > 7 10 Na 0.07866809097773 0.75000000000000 0.50000000000000 22.990 > 7 11 Na 0.41200142431106 0.75000000000000 0.50000000000000 22.990 > 7 12 Na 0.74533475764439 0.75000000000000 0.50000000000000 22.990 > 7 13 Na 0.07866809097773 0.75000000000000 0.25000000000000 22.990 > 13 14 Na 0.41200142431106 0.75000000000000 0.25000000000000 22.990 > 13 15 Na 0.74533475764439 0.75000000000000 0.25000000000000 22.990 > 13 16 Na 0.07866809097773 0.75000000000000 0.75000000000000 22.990 > 13 17 Na 0.41200142431106 0.75000000000000 0.75000000000000 22.990 > 13 18 Na 0.74533475764439 0.75000000000000 0.75000000000000 22.990 > 13 19 Na 0.25466524235560 0.25000000000000 0.00000000000000 22.990 > 19 20 Na 0.58799857568894 0.25000000000000 0.00000000000000 22.990 > 19 21 Na 0.92133190902227 0.25000000000000 0.00000000000000 22.990 > 19 22 Na 0.25466524235560 0.25000000000000 0.50000000000000 22.990 > 19 23 Na 0.58799857568894 0.25000000000000 0.50000000000000 22.990 > 19 24 Na 0.92133190902227 0.25000000000000 0.50000000000000 22.990 > 19 25 H 0.27271492059781 0.91021080485012 0.12500000000000 1.008 > 25 26 H 0.60604825393114 0.91021080485012 0.12500000000000 1.008 > 25 27 H 0.93938158726448 0.91021080485012 0.12500000000000 1.008 > 25 28 H 0.27271492059781 0.91021080485012 0.62500000000000 1.008 > 25 29 H 0.60604825393114 0.91021080485012 0.62500000000000 1.008 > 25 30 H 0.93938158726448 0.91021080485012 0.62500000000000 1.008 > 25 31 H 0.06061841273552 0.08978919514988 0.37500000000000 1.008 > 31 32 H 0.39395174606886 0.08978919514988 0.37500000000000 1.008 > 31 33 H 0.72728507940219 0.08978919514988 0.37500000000000 1.008 > 31 34 H 0.06061841273552 0.08978919514988 0.87500000000000 1.008 > 31 35 H 0.39395174606886 0.08978919514988 0.87500000000000 1.008 > 31 36 H 0.72728507940219 0.08978919514988 0.87500000000000 1.008 > 31 37 H 0.27271492059781 0.58978919514988 0.37500000000000 1.008 > 37 38 H 0.60604825393114 0.58978919514988 0.37500000000000 1.008 > 37 39 H 0.93938158726448 0.58978919514988 0.37500000000000 1.008 > 37 40 H 0.27271492059781 0.58978919514988 0.87500000000000 1.008 > 37 41 H 0.60604825393114 0.58978919514988 0.87500000000000 1.008 > 37 42 H 0.93938158726448 0.58978919514988 0.87500000000000 1.008 > 37 43 H 0.06061841273552 0.41021080485012 0.12500000000000 1.008 > 43 44 H 0.39395174606886 0.41021080485012 0.12500000000000 1.008 > 43 45 H 0.72728507940219 0.41021080485012 0.12500000000000 1.008 > 43 46 H 0.06061841273552 0.41021080485012 0.62500000000000 1.008 > 43 47 H 0.39395174606886 0.41021080485012 0.62500000000000 1.008 > 43 48 H 0.72728507940219 0.41021080485012 0.62500000000000 1.008 > 43 49 C 0.06380663942214 0.04901076850156 0.12500000000000 12.011 > 49 50 C 0.39713997275547 0.04901076850156 0.12500000000000 12.011 > 49 51 C 0.73047330608880 0.04901076850156 0.12500000000000 12.011 > 49 52 C 0.06380663942214 0.04901076850156 0.62500000000000 12.011 > 49 53 C 0.39713997275547 0.04901076850156 0.62500000000000 12.011 > 49 54 C 0.73047330608880 0.04901076850156 0.62500000000000 12.011 > 49 55 C 0.26952669391120 0.95098923149844 0.37500000000000 12.011 > 55 56 C 0.60286002724453 0.95098923149844 0.37500000000000 12.011 > 55 57 C 0.93619336057786 0.95098923149844 0.37500000000000 12.011 > 55 58 C 0.26952669391120 0.95098923149844 0.87500000000000 12.011 > 55 59 C 0.60286002724453 0.95098923149844 0.87500000000000 12.011 > 55 60 C 0.93619336057786 0.95098923149844 0.87500000000000 12.011 > 55 61 C 0.06380663942214 0.45098923149844 0.37500000000000 12.011 > 61 62 C 0.39713997275547 0.45098923149844 0.37500000000000 12.011 > 61 63 C 0.73047330608880 0.45098923149844 0.37500000000000 12.011 > 61 64 C 0.06380663942214 0.45098923149844 0.87500000000000 12.011 > 61 65 C 0.39713997275547 0.45098923149844 0.87500000000000 12.011 > 61 66 C 0.73047330608880 0.45098923149844 0.87500000000000 12.011 > 61 67 C 0.26952669391120 0.54901076850156 0.12500000000000 12.011 > 67 68 C 0.60286002724453 0.54901076850156 0.12500000000000 12.011 > 67 69 C 0.93619336057786 0.54901076850156 0.12500000000000 12.011 > 67 70 C 0.26952669391120 0.54901076850156 0.62500000000000 12.011 > 67 71 C 0.60286002724453 0.54901076850156 0.62500000000000 12.011 > 67 72 C 0.93619336057786 0.54901076850156 0.62500000000000 12.011 > 67 73 N 0.09771049365659 0.15977188563612 0.12500000000000 14.007 > 73 74 N 0.43104382698992 0.15977188563612 0.12500000000000 14.007 > 73 75 N 0.76437716032326 0.15977188563612 0.12500000000000 14.007 > 73 76 N 0.09771049365659 0.15977188563612 0.62500000000000 14.007 > 73 77 N 0.43104382698992 0.15977188563612 0.62500000000000 14.007 > 73 78 N 0.76437716032326 0.15977188563612 0.62500000000000 14.007 > 73 79 N 0.23562283967674 0.84022811436388 0.37500000000000 14.007 > 79 80 N 0.56895617301008 0.84022811436388 0.37500000000000 14.007 > 79 81 N 0.90228950634341 0.84022811436388 0.37500000000000 14.007 > 79 82 N 0.23562283967674 0.84022811436388 0.87500000000000 14.007 > 79 83 N 0.56895617301008 0.84022811436388 0.87500000000000 14.007 > 79 84 N 0.90228950634341 0.84022811436388 0.87500000000000 14.007 > 79 85 N 0.09771049365659 0.34022811436388 0.37500000000000 14.007 > 85 86 N 0.43104382698992 0.34022811436388 0.37500000000000 14.007 > 85 87 N 0.76437716032326 0.34022811436388 0.37500000000000 14.007 > 85 88 N 0.09771049365659 0.34022811436388 0.87500000000000 14.007 > 85 89 N 0.43104382698992 0.34022811436388 0.87500000000000 14.007 > 85 90 N 0.76437716032326 0.34022811436388 0.87500000000000 14.007 > 85 91 N 0.23562283967674 0.65977188563612 0.12500000000000 14.007 > 91 92 N 0.56895617301008 0.65977188563612 0.12500000000000 14.007 > 91 93 N 0.90228950634341 0.65977188563612 0.12500000000000 14.007 > 91 94 N 0.23562283967674 0.65977188563612 0.62500000000000 14.007 > 91 95 N 0.56895617301008 0.65977188563612 0.62500000000000 14.007 > 91 96 N 0.90228950634341 0.65977188563612 0.62500000000000 14.007 > 91 97 N 0.03756982174122 0.92917088423313 0.12500000000000 14.007 > 97 98 N 0.37090315507455 0.92917088423313 0.12500000000000 14.007 > 97 99 N 0.70423648840788 0.92917088423313 0.12500000000000 14.007 > 97 100 N 0.03756982174122 0.92917088423313 0.62500000000000 14.007 > 97 101 N 0.37090315507455 0.92917088423313 0.62500000000000 14.007 > 97 102 N 0.70423648840788 0.92917088423313 0.62500000000000 14.007 > 97 103 N 0.29576351159212 0.07082911576687 0.37500000000000 14.007 > 103 104 N 0.62909684492545 0.07082911576687 0.37500000000000 14.007 > 103 105 N 0.96243017825878 0.07082911576687 0.37500000000000 14.007 > 103 106 N 0.29576351159212 0.07082911576687 0.87500000000000 14.007 > 103 107 N 0.62909684492545 0.07082911576687 0.87500000000000 14.007 > 103 108 N 0.96243017825878 0.07082911576687 0.87500000000000 14.007 > 103 109 N 0.03756982174122 0.57082911576687 0.37500000000000 14.007 > 109 110 N 0.37090315507455 0.57082911576687 0.37500000000000 14.007 > 109 111 N 0.70423648840788 0.57082911576687 0.37500000000000 14.007 > 109 112 N 0.03756982174122 0.57082911576687 0.87500000000000 14.007 > 109 113 N 0.37090315507455 0.57082911576687 0.87500000000000 14.007 > 109 114 N 0.70423648840788 0.57082911576687 0.87500000000000 14.007 > 109 115 N 0.29576351159212 0.42917088423313 0.12500000000000 14.007 > 115 116 N 0.62909684492545 0.42917088423313 0.12500000000000 14.007 > 115 117 N 0.96243017825878 0.42917088423313 0.12500000000000 14.007 > 115 118 N 0.29576351159212 0.42917088423313 0.62500000000000 14.007 > 115 119 N 0.62909684492545 0.42917088423313 0.62500000000000 14.007 > 115 120 N 0.96243017825878 0.42917088423313 0.62500000000000 14.007 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3618585 0.0000000 0.0000000 0.0000000 3.2680363 0.0000000 0.0000000 0.0000000 2.2178354 -------------------------- Born effective charges -------------------------- 1 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 0.1010472 0.0000000 0.0277515 1.0730892 2 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 -0.1010472 0.0000000 -0.0277515 1.0730892 3 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 0.1010472 0.0000000 0.0277515 1.0730892 4 Na 1.0343902 0.0000000 0.0000000 0.0000000 1.3858630 -0.1010472 0.0000000 -0.0277515 1.0730892 5 H 0.3935603 0.1133847 0.0000000 -0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 6 H 0.3935603 0.1133847 0.0000000 -0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 7 H 0.3935603 -0.1133847 0.0000000 0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 8 H 0.3935603 -0.1133847 0.0000000 0.0288593 0.4776247 0.0000000 0.0000000 0.0000000 0.3848578 9 C 0.2340849 0.4874117 0.0000000 0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 10 C 0.2340849 0.4874117 0.0000000 0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 11 C 0.2340849 -0.4874117 0.0000000 -0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 12 C 0.2340849 -0.4874117 0.0000000 -0.8001764 2.6369596 0.0000000 0.0000000 0.0000000 0.1337868 13 N -0.9267012 -0.1507373 0.0000000 -0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 14 N -0.9267012 -0.1507373 0.0000000 -0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 15 N -0.9267012 0.1507373 0.0000000 0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 16 N -0.9267012 0.1507373 0.0000000 0.4090779 -2.0656349 0.0000000 0.0000000 0.0000000 -0.7943655 17 N -0.7353341 -0.4144773 0.0000000 -0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 18 N -0.7353341 -0.4144773 0.0000000 -0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 19 N -0.7353341 0.4144773 0.0000000 0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 20 N -0.7353341 0.4144773 0.0000000 0.3724494 -2.4348124 0.0000000 0.0000000 0.0000000 -0.7973683 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) 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 ... [ 15 5 8 ] 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: 0.68, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 6.547 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 13.035 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.426 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.276 ( 0.000 0.000 0.000) 0.000 18.301 ( 0.000 0.000 0.000) 0.000 18.316 ( 0.000 0.000 0.000) 0.000 31.699 ( 0.000 0.000 0.000) 0.000 31.772 ( 0.000 0.000 0.000) 0.000 32.487 ( 0.000 0.000 0.000) 0.000 32.691 ( 0.000 0.000 0.000) 0.000 36.891 ( 0.000 0.000 0.000) 0.000 36.971 ( 0.000 0.000 0.000) 0.000 36.995 ( 0.000 0.000 0.000) 0.000 37.035 ( 0.000 0.000 0.000) 0.000 64.434 ( 0.000 0.000 0.000) 0.000 64.864 ( 0.000 0.000 0.000) 0.000 65.025 ( 0.000 0.000 0.000) 0.000 67.052 ( 0.000 0.000 0.000) 0.000 100.132 ( 0.000 0.000 0.000) 0.000 100.138 ( 0.000 0.000 0.000) 0.000 100.147 ( 0.000 0.000 0.000) 0.000 100.154 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 26.244 0.000 0.000) 26.244 0.555 ( 28.280 0.000 0.000) 28.280 0.890 ( 44.701 0.000 0.000) 44.701 2.021 ( 9.705 0.000 0.000) 9.705 2.222 ( 11.253 0.000 0.000) 11.253 2.537 ( 3.222 0.000 0.000) 3.222 3.146 ( 0.776 0.000 0.000) 0.776 3.351 ( 7.248 0.000 0.000) 7.248 3.430 ( 4.435 0.000 0.000) 4.435 3.641 ( 3.899 0.000 0.000) 3.899 3.680 ( -0.616 0.000 0.000) 0.616 3.829 ( -3.360 0.000 0.000) 3.360 4.385 ( 4.621 0.000 0.000) 4.621 4.404 ( -0.467 0.000 0.000) 0.467 4.535 ( 1.621 0.000 0.000) 1.621 4.751 ( 6.727 0.000 0.000) 6.727 4.836 ( 4.378 0.000 0.000) 4.378 5.279 ( 7.555 0.000 0.000) 7.555 5.507 ( 0.718 0.000 0.000) 0.718 5.580 ( 5.115 0.000 0.000) 5.115 5.701 ( -3.208 0.000 0.000) 3.208 5.799 ( 1.017 0.000 0.000) 1.017 6.015 ( -1.393 0.000 0.000) 1.393 6.169 ( -2.744 0.000 0.000) 2.744 6.183 ( 4.196 0.000 0.000) 4.196 6.295 ( 8.617 0.000 0.000) 8.617 6.337 ( -2.107 0.000 0.000) 2.107 6.543 ( -0.363 0.000 0.000) 0.363 6.972 ( -4.053 0.000 0.000) 4.053 7.491 ( -5.694 0.000 0.000) 5.694 7.560 ( -2.527 0.000 0.000) 2.527 7.718 ( 1.095 0.000 0.000) 1.095 12.251 ( 6.913 0.000 0.000) 6.913 12.284 ( 6.466 0.000 0.000) 6.466 13.100 ( 6.602 0.000 0.000) 6.602 13.673 ( 6.751 0.000 0.000) 6.751 17.270 ( -2.378 0.000 0.000) 2.378 17.399 ( -2.800 0.000 0.000) 2.800 17.509 ( -4.483 0.000 0.000) 4.483 17.579 ( -3.165 0.000 0.000) 3.165 18.230 ( -1.128 0.000 0.000) 1.128 18.253 ( -1.004 0.000 0.000) 1.004 18.349 ( 3.568 0.000 0.000) 3.568 18.357 ( 3.534 0.000 0.000) 3.534 31.697 ( -0.178 0.000 0.000) 0.178 31.768 ( -0.398 0.000 0.000) 0.398 32.444 ( -4.340 0.000 0.000) 4.340 32.650 ( -4.191 0.000 0.000) 4.191 36.882 ( -0.823 0.000 0.000) 0.823 36.968 ( -0.226 0.000 0.000) 0.226 36.992 ( -0.333 0.000 0.000) 0.333 37.027 ( -0.809 0.000 0.000) 0.809 64.420 ( -1.417 0.000 0.000) 1.417 64.820 ( -4.280 0.000 0.000) 4.280 65.007 ( -1.963 0.000 0.000) 1.963 67.048 ( -10.220 0.000 0.000) 10.220 100.141 ( 0.755 0.000 0.000) 0.755 100.145 ( 1.263 0.000 0.000) 1.263 100.174 ( 2.219 0.000 0.000) 2.219 100.487 ( -0.012 0.000 0.000) 0.012 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 25.876 0.000 0.000) 25.876 1.090 ( 26.598 0.000 0.000) 26.598 1.710 ( 39.057 0.000 0.000) 39.057 2.270 ( 15.123 0.000 0.000) 15.123 2.496 ( 15.617 0.000 0.000) 15.617 2.635 ( 6.848 0.000 0.000) 6.848 3.176 ( 2.427 0.000 0.000) 2.427 3.509 ( 1.503 0.000 0.000) 1.503 3.533 ( 10.743 0.000 0.000) 10.743 3.673 ( 0.389 0.000 0.000) 0.389 3.735 ( -4.603 0.000 0.000) 4.603 3.751 ( 7.264 0.000 0.000) 7.264 4.393 ( -0.640 0.000 0.000) 0.640 4.518 ( 9.016 0.000 0.000) 9.016 4.625 ( 7.141 0.000 0.000) 7.141 4.932 ( 11.916 0.000 0.000) 11.916 4.953 ( 7.463 0.000 0.000) 7.463 5.457 ( 9.924 0.000 0.000) 9.924 5.526 ( 1.361 0.000 0.000) 1.361 5.624 ( -4.710 0.000 0.000) 4.710 5.736 ( 10.833 0.000 0.000) 10.833 5.810 ( 0.031 0.000 0.000) 0.031 5.995 ( -0.565 0.000 0.000) 0.565 6.092 ( -5.135 0.000 0.000) 5.135 6.270 ( 4.200 0.000 0.000) 4.200 6.278 ( -3.796 0.000 0.000) 3.796 6.520 ( 13.902 0.000 0.000) 13.902 6.537 ( -0.066 0.000 0.000) 0.066 6.836 ( -10.248 0.000 0.000) 10.248 7.370 ( -6.265 0.000 0.000) 6.265 7.488 ( -4.274 0.000 0.000) 4.274 7.745 ( 1.520 0.000 0.000) 1.520 12.445 ( 12.799 0.000 0.000) 12.799 12.465 ( 11.862 0.000 0.000) 11.862 13.284 ( 11.978 0.000 0.000) 11.978 13.861 ( 12.389 0.000 0.000) 12.389 17.203 ( -4.513 0.000 0.000) 4.513 17.315 ( -5.987 0.000 0.000) 5.987 17.385 ( -8.077 0.000 0.000) 8.077 17.498 ( -4.921 0.000 0.000) 4.921 18.215 ( -0.279 0.000 0.000) 0.279 18.245 ( 0.178 0.000 0.000) 0.178 18.430 ( 4.733 0.000 0.000) 4.733 18.440 ( 4.906 0.000 0.000) 4.906 31.692 ( -0.349 0.000 0.000) 0.349 31.757 ( -0.748 0.000 0.000) 0.748 32.326 ( -7.643 0.000 0.000) 7.643 32.537 ( -7.097 0.000 0.000) 7.097 36.865 ( -0.830 0.000 0.000) 0.830 36.961 ( -0.526 0.000 0.000) 0.526 36.982 ( -0.721 0.000 0.000) 0.721 37.008 ( -1.134 0.000 0.000) 1.134 64.383 ( -2.238 0.000 0.000) 2.238 64.710 ( -6.698 0.000 0.000) 6.698 64.945 ( -4.444 0.000 0.000) 4.444 66.770 ( -17.851 0.000 0.000) 17.851 100.168 ( 1.938 0.000 0.000) 1.938 100.179 ( 2.243 0.000 0.000) 2.243 100.227 ( 3.155 0.000 0.000) 3.155 100.486 ( -0.024 0.000 0.000) 0.024 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 25.002 0.000 0.000) 25.002 1.575 ( 22.982 0.000 0.000) 22.982 2.354 ( 24.899 0.000 0.000) 24.899 2.582 ( 16.480 0.000 0.000) 16.480 2.797 ( 9.635 0.000 0.000) 9.635 2.800 ( 16.572 0.000 0.000) 16.572 3.243 ( 4.484 0.000 0.000) 4.484 3.417 ( -9.270 0.000 0.000) 9.270 3.721 ( 5.161 0.000 0.000) 5.161 3.723 ( 2.049 0.000 0.000) 2.049 3.743 ( 10.445 0.000 0.000) 10.445 3.913 ( 9.116 0.000 0.000) 9.116 4.376 ( -1.249 0.000 0.000) 1.249 4.723 ( 11.557 0.000 0.000) 11.557 4.777 ( 7.559 0.000 0.000) 7.559 5.117 ( 9.203 0.000 0.000) 9.203 5.195 ( 14.176 0.000 0.000) 14.176 5.517 ( -6.369 0.000 0.000) 6.369 5.569 ( 3.480 0.000 0.000) 3.480 5.631 ( 7.308 0.000 0.000) 7.308 5.793 ( -2.111 0.000 0.000) 2.111 5.979 ( -5.996 0.000 0.000) 5.996 5.995 ( 15.659 0.000 0.000) 15.659 5.995 ( 0.713 0.000 0.000) 0.713 6.195 ( -4.688 0.000 0.000) 4.688 6.333 ( 2.113 0.000 0.000) 2.113 6.550 ( 0.500 0.000 0.000) 0.500 6.592 ( -12.562 0.000 0.000) 12.562 6.806 ( 14.889 0.000 0.000) 14.889 7.252 ( -5.963 0.000 0.000) 5.963 7.424 ( -1.679 0.000 0.000) 1.679 7.771 ( 0.978 0.000 0.000) 0.978 12.731 ( 15.126 0.000 0.000) 15.126 12.733 ( 16.386 0.000 0.000) 16.386 13.551 ( 15.160 0.000 0.000) 15.160 14.140 ( 15.957 0.000 0.000) 15.957 17.096 ( -6.484 0.000 0.000) 6.484 17.170 ( -8.697 0.000 0.000) 8.697 17.207 ( -9.803 0.000 0.000) 9.803 17.397 ( -5.300 0.000 0.000) 5.300 18.219 ( 0.641 0.000 0.000) 0.641 18.259 ( 1.221 0.000 0.000) 1.221 18.530 ( 5.540 0.000 0.000) 5.540 18.544 ( 5.753 0.000 0.000) 5.753 31.684 ( -0.494 0.000 0.000) 0.494 31.739 ( -1.002 0.000 0.000) 1.002 32.158 ( -9.281 0.000 0.000) 9.281 32.386 ( -8.123 0.000 0.000) 8.123 36.854 ( -0.166 0.000 0.000) 0.166 36.948 ( -0.856 0.000 0.000) 0.856 36.965 ( -0.942 0.000 0.000) 0.942 36.987 ( -0.915 0.000 0.000) 0.915 64.340 ( -2.009 0.000 0.000) 2.009 64.571 ( -7.347 0.000 0.000) 7.347 64.837 ( -6.492 0.000 0.000) 6.492 66.379 ( -21.844 0.000 0.000) 21.844 100.213 ( 2.598 0.000 0.000) 2.598 100.229 ( 2.786 0.000 0.000) 2.786 100.291 ( 3.372 0.000 0.000) 3.372 100.485 ( -0.056 0.000 0.000) 0.056 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 16.364 0.000 0.000) 16.364 1.983 ( 23.440 0.000 0.000) 23.440 2.606 ( 3.016 0.000 0.000) 3.016 2.889 ( 14.384 0.000 0.000) 14.384 3.004 ( 11.804 0.000 0.000) 11.804 3.187 ( 21.734 0.000 0.000) 21.734 3.233 ( -8.326 0.000 0.000) 8.326 3.347 ( 6.075 0.000 0.000) 6.075 3.755 ( 0.748 0.000 0.000) 0.748 3.874 ( 10.030 0.000 0.000) 10.030 3.925 ( 8.050 0.000 0.000) 8.050 4.092 ( 8.967 0.000 0.000) 8.967 4.339 ( -2.620 0.000 0.000) 2.620 4.879 ( 1.742 0.000 0.000) 1.742 4.932 ( 8.881 0.000 0.000) 8.881 5.302 ( 9.569 0.000 0.000) 9.569 5.376 ( -8.049 0.000 0.000) 8.049 5.407 ( 5.207 0.000 0.000) 5.207 5.682 ( 8.710 0.000 0.000) 8.710 5.702 ( -7.568 0.000 0.000) 7.568 5.754 ( 7.362 0.000 0.000) 7.362 5.890 ( -2.718 0.000 0.000) 2.718 6.023 ( 2.128 0.000 0.000) 2.128 6.103 ( -4.642 0.000 0.000) 4.642 6.328 ( -11.677 0.000 0.000) 11.677 6.331 ( 18.483 0.000 0.000) 18.483 6.349 ( -0.392 0.000 0.000) 0.392 6.636 ( 6.251 0.000 0.000) 6.251 7.075 ( 12.285 0.000 0.000) 12.285 7.152 ( -3.721 0.000 0.000) 3.721 7.425 ( 1.523 0.000 0.000) 1.523 7.778 ( -0.325 0.000 0.000) 0.325 13.034 ( 15.539 0.000 0.000) 15.539 13.060 ( 16.768 0.000 0.000) 16.768 13.854 ( 15.638 0.000 0.000) 15.638 14.463 ( 16.789 0.000 0.000) 16.789 16.942 ( -9.491 0.000 0.000) 9.491 16.989 ( -9.552 0.000 0.000) 9.552 17.030 ( -7.844 0.000 0.000) 7.844 17.295 ( -5.158 0.000 0.000) 5.158 18.238 ( 1.313 0.000 0.000) 1.313 18.291 ( 1.939 0.000 0.000) 1.939 18.641 ( 5.789 0.000 0.000) 5.789 18.660 ( 6.004 0.000 0.000) 6.004 31.673 ( -0.573 0.000 0.000) 0.573 31.719 ( -1.125 0.000 0.000) 1.125 31.977 ( -9.142 0.000 0.000) 9.142 32.233 ( -7.476 0.000 0.000) 7.476 36.859 ( 0.572 0.000 0.000) 0.572 36.930 ( -0.867 0.000 0.000) 0.867 36.947 ( -0.890 0.000 0.000) 0.890 36.972 ( -0.651 0.000 0.000) 0.651 64.314 ( -0.520 0.000 0.000) 0.520 64.434 ( -6.585 0.000 0.000) 6.585 64.700 ( -7.472 0.000 0.000) 7.472 65.943 ( -22.618 0.000 0.000) 22.618 100.265 ( 2.689 0.000 0.000) 2.689 100.285 ( 2.892 0.000 0.000) 2.892 100.354 ( 3.007 0.000 0.000) 3.007 100.484 ( -0.152 0.000 0.000) 0.152 ======================= Grid point 5 (6/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 6.766 0.000 0.000) 6.766 2.415 ( 20.864 0.000 0.000) 20.864 2.580 ( -3.899 0.000 0.000) 3.899 3.108 ( 8.260 0.000 0.000) 8.260 3.132 ( -1.786 0.000 0.000) 1.786 3.266 ( 14.551 0.000 0.000) 14.551 3.475 ( 6.944 0.000 0.000) 6.944 3.570 ( 16.982 0.000 0.000) 16.982 3.748 ( -1.393 0.000 0.000) 1.393 4.052 ( 5.128 0.000 0.000) 5.128 4.081 ( 10.778 0.000 0.000) 10.778 4.226 ( 1.048 0.000 0.000) 1.048 4.298 ( 1.968 0.000 0.000) 1.968 4.803 ( -9.490 0.000 0.000) 9.490 5.040 ( 2.234 0.000 0.000) 2.234 5.209 ( -8.937 0.000 0.000) 8.937 5.429 ( 0.356 0.000 0.000) 0.356 5.477 ( 8.223 0.000 0.000) 8.223 5.522 ( -10.278 0.000 0.000) 10.278 5.860 ( -0.767 0.000 0.000) 0.767 5.911 ( 14.181 0.000 0.000) 14.181 5.923 ( 6.451 0.000 0.000) 6.451 6.019 ( -3.904 0.000 0.000) 3.904 6.074 ( 2.915 0.000 0.000) 2.915 6.145 ( -5.678 0.000 0.000) 5.678 6.324 ( -1.883 0.000 0.000) 1.883 6.693 ( 18.213 0.000 0.000) 18.213 6.769 ( 6.279 0.000 0.000) 6.279 7.129 ( 1.628 0.000 0.000) 1.628 7.269 ( 7.494 0.000 0.000) 7.494 7.474 ( 3.243 0.000 0.000) 3.243 7.757 ( -1.867 0.000 0.000) 1.867 13.316 ( 13.134 0.000 0.000) 13.134 13.364 ( 14.055 0.000 0.000) 14.055 14.141 ( 13.431 0.000 0.000) 13.431 14.772 ( 14.665 0.000 0.000) 14.665 16.750 ( -9.629 0.000 0.000) 9.629 16.812 ( -8.442 0.000 0.000) 8.442 16.900 ( -5.794 0.000 0.000) 5.794 17.201 ( -4.453 0.000 0.000) 4.453 18.267 ( 1.557 0.000 0.000) 1.557 18.331 ( 2.152 0.000 0.000) 2.152 18.750 ( 5.210 0.000 0.000) 5.210 18.772 ( 5.400 0.000 0.000) 5.400 31.662 ( -0.544 0.000 0.000) 0.544 31.696 ( -1.222 0.000 0.000) 1.222 31.814 ( -7.360 0.000 0.000) 7.360 32.103 ( -5.763 0.000 0.000) 5.763 36.874 ( 0.902 0.000 0.000) 0.902 36.916 ( -0.595 0.000 0.000) 0.595 36.932 ( -0.609 0.000 0.000) 0.609 36.961 ( -0.506 0.000 0.000) 0.506 64.322 ( -4.805 0.000 0.000) 4.805 64.328 ( 2.158 0.000 0.000) 2.158 64.556 ( -7.150 0.000 0.000) 7.150 65.516 ( -21.083 0.000 0.000) 21.083 100.314 ( 2.293 0.000 0.000) 2.293 100.339 ( 2.652 0.000 0.000) 2.652 100.406 ( 2.289 0.000 0.000) 2.289 100.479 ( -0.349 0.000 0.000) 0.349 ======================= Grid point 6 (7/120) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 1.843 0.000 0.000) 1.843 2.496 ( -4.155 0.000 0.000) 4.155 2.782 ( 16.624 0.000 0.000) 16.624 3.126 ( -0.705 0.000 0.000) 0.705 3.220 ( 3.257 0.000 0.000) 3.257 3.532 ( 12.155 0.000 0.000) 12.155 3.611 ( 6.916 0.000 0.000) 6.916 3.720 ( -0.554 0.000 0.000) 0.554 3.834 ( 10.089 0.000 0.000) 10.089 4.126 ( 2.558 0.000 0.000) 2.558 4.148 ( -5.623 0.000 0.000) 5.623 4.277 ( 8.991 0.000 0.000) 8.991 4.398 ( 5.039 0.000 0.000) 5.039 4.577 ( -11.587 0.000 0.000) 11.587 5.038 ( -1.835 0.000 0.000) 1.835 5.043 ( -7.664 0.000 0.000) 7.664 5.326 ( -9.332 0.000 0.000) 9.332 5.468 ( 3.505 0.000 0.000) 3.505 5.611 ( 5.285 0.000 0.000) 5.285 5.853 ( -0.001 0.000 0.000) 0.001 5.862 ( -8.668 0.000 0.000) 8.668 5.953 ( -2.816 0.000 0.000) 2.816 6.128 ( 2.475 0.000 0.000) 2.475 6.189 ( 13.292 0.000 0.000) 13.292 6.197 ( 6.467 0.000 0.000) 6.467 6.286 ( -1.785 0.000 0.000) 1.785 6.854 ( 2.538 0.000 0.000) 2.538 7.011 ( 13.738 0.000 0.000) 13.738 7.202 ( 4.901 0.000 0.000) 4.901 7.370 ( 3.626 0.000 0.000) 3.626 7.540 ( 3.240 0.000 0.000) 3.240 7.705 ( -3.510 0.000 0.000) 3.510 13.530 ( 8.637 0.000 0.000) 8.637 13.592 ( 9.171 0.000 0.000) 9.171 14.361 ( 9.011 0.000 0.000) 9.011 15.015 ( 9.944 0.000 0.000) 9.944 16.587 ( -6.816 0.000 0.000) 6.816 16.672 ( -5.758 0.000 0.000) 5.758 16.805 ( -3.859 0.000 0.000) 3.859 17.127 ( -3.051 0.000 0.000) 3.051 18.295 ( 1.262 0.000 0.000) 1.262 18.370 ( 1.713 0.000 0.000) 1.713 18.837 ( 3.666 0.000 0.000) 3.666 18.863 ( 3.800 0.000 0.000) 3.800 31.653 ( -0.390 0.000 0.000) 0.390 31.662 ( -2.810 0.000 0.000) 2.810 31.708 ( -2.843 0.000 0.000) 2.843 32.012 ( -3.558 0.000 0.000) 3.558 36.890 ( 0.636 0.000 0.000) 0.636 36.907 ( -0.297 0.000 0.000) 0.297 36.925 ( -0.181 0.000 0.000) 0.181 36.953 ( -0.353 0.000 0.000) 0.353 64.251 ( -2.516 0.000 0.000) 2.516 64.403 ( 5.633 0.000 0.000) 5.633 64.431 ( -5.467 0.000 0.000) 5.467 65.135 ( -17.929 0.000 0.000) 17.929 100.352 ( 1.530 0.000 0.000) 1.530 100.386 ( 2.188 0.000 0.000) 2.188 100.442 ( 1.406 0.000 0.000) 1.406 100.469 ( -0.664 0.000 0.000) 0.664 ======================= Grid point 7 (8/120) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.406 0.000 0.000) 1.406 2.436 ( -1.669 0.000 0.000) 1.669 3.040 ( 8.967 0.000 0.000) 8.967 3.079 ( -2.765 0.000 0.000) 2.765 3.232 ( -1.659 0.000 0.000) 1.659 3.708 ( 5.109 0.000 0.000) 5.109 3.727 ( 4.116 0.000 0.000) 4.116 3.738 ( 1.520 0.000 0.000) 1.520 3.963 ( 3.276 0.000 0.000) 3.276 4.047 ( -3.785 0.000 0.000) 3.785 4.156 ( 0.664 0.000 0.000) 0.664 4.409 ( -4.920 0.000 0.000) 4.920 4.410 ( 3.996 0.000 0.000) 3.996 4.467 ( 1.850 0.000 0.000) 1.850 4.933 ( -3.143 0.000 0.000) 3.143 4.996 ( -1.647 0.000 0.000) 1.647 5.188 ( -4.107 0.000 0.000) 4.107 5.558 ( 5.724 0.000 0.000) 5.724 5.679 ( 1.731 0.000 0.000) 1.731 5.694 ( -8.010 0.000 0.000) 8.010 5.858 ( 0.323 0.000 0.000) 0.323 5.912 ( -1.274 0.000 0.000) 1.274 6.163 ( 0.955 0.000 0.000) 0.955 6.262 ( -0.649 0.000 0.000) 0.649 6.289 ( 2.560 0.000 0.000) 2.560 6.383 ( 5.661 0.000 0.000) 5.661 6.882 ( 0.596 0.000 0.000) 0.596 7.184 ( 3.695 0.000 0.000) 3.695 7.279 ( 2.297 0.000 0.000) 2.297 7.453 ( 5.243 0.000 0.000) 5.243 7.587 ( 1.367 0.000 0.000) 1.367 7.620 ( -4.876 0.000 0.000) 4.876 13.644 ( 2.994 0.000 0.000) 2.994 13.713 ( 3.165 0.000 0.000) 3.165 14.481 ( 3.166 0.000 0.000) 3.166 15.147 ( 3.509 0.000 0.000) 3.509 16.495 ( -2.455 0.000 0.000) 2.455 16.595 ( -2.040 0.000 0.000) 2.040 16.753 ( -1.366 0.000 0.000) 1.366 17.086 ( -1.088 0.000 0.000) 1.088 18.313 ( 0.486 0.000 0.000) 0.486 18.394 ( 0.658 0.000 0.000) 0.658 18.887 ( 1.326 0.000 0.000) 1.326 18.914 ( 1.374 0.000 0.000) 1.374 31.611 ( -1.563 0.000 0.000) 1.563 31.648 ( -0.141 0.000 0.000) 0.141 31.685 ( -0.406 0.000 0.000) 0.406 31.966 ( -1.195 0.000 0.000) 1.195 36.897 ( 0.145 0.000 0.000) 0.145 36.904 ( -0.082 0.000 0.000) 0.082 36.924 ( 0.060 0.000 0.000) 0.060 36.948 ( -0.131 0.000 0.000) 0.131 64.222 ( -0.576 0.000 0.000) 0.576 64.354 ( -2.225 0.000 0.000) 2.225 64.542 ( 7.916 0.000 0.000) 7.916 64.834 ( -12.170 0.000 0.000) 12.170 100.372 ( 0.536 0.000 0.000) 0.536 100.423 ( 1.527 0.000 0.000) 1.527 100.453 ( -0.995 0.000 0.000) 0.995 100.460 ( 0.471 0.000 0.000) 0.471 ======================= Grid point 15 (9/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 25.996 0.000) 25.996 0.574 ( 0.000 29.324 0.000) 29.324 1.295 ( 0.000 65.213 0.000) 65.213 1.805 ( 0.000 -12.886 0.000) 12.886 1.974 ( 0.000 -12.504 0.000) 12.504 2.507 ( 0.000 3.185 0.000) 3.185 3.163 ( 0.000 -10.467 0.000) 10.467 3.276 ( 0.000 11.113 0.000) 11.113 3.413 ( 0.000 2.625 0.000) 2.625 3.619 ( 0.000 0.594 0.000) 0.594 3.824 ( 0.000 9.958 0.000) 9.958 3.996 ( 0.000 11.537 0.000) 11.537 4.290 ( 0.000 -0.618 0.000) 0.618 4.462 ( 0.000 5.435 0.000) 5.435 4.514 ( 0.000 -3.882 0.000) 3.882 4.779 ( 0.000 -35.623 0.000) 35.623 4.804 ( 0.000 0.489 0.000) 0.489 5.115 ( 0.000 0.881 0.000) 0.881 5.204 ( 0.000 10.641 0.000) 10.641 5.490 ( 0.000 -4.666 0.000) 4.666 5.604 ( 0.000 -9.540 0.000) 9.540 5.699 ( 0.000 -7.269 0.000) 7.269 6.081 ( 0.000 -5.790 0.000) 5.790 6.143 ( 0.000 6.407 0.000) 6.407 6.149 ( 0.000 -5.907 0.000) 5.907 6.161 ( 0.000 1.939 0.000) 1.939 6.208 ( 0.000 2.019 0.000) 2.019 6.363 ( 0.000 0.410 0.000) 0.410 7.214 ( 0.000 15.297 0.000) 15.297 7.529 ( 0.000 -3.002 0.000) 3.002 7.609 ( 0.000 5.361 0.000) 5.361 8.405 ( 0.000 -8.021 0.000) 8.021 12.186 ( 0.000 0.293 0.000) 0.293 12.217 ( 0.000 -0.407 0.000) 0.407 13.088 ( 0.000 5.295 0.000) 5.295 13.549 ( 0.000 -5.673 0.000) 5.673 17.391 ( 0.000 0.287 0.000) 0.287 17.421 ( 0.000 -0.455 0.000) 0.455 17.522 ( 0.000 0.475 0.000) 0.475 17.551 ( 0.000 -0.222 0.000) 0.222 18.249 ( 0.000 0.202 0.000) 0.202 18.273 ( 0.000 -0.348 0.000) 0.348 18.303 ( 0.000 0.204 0.000) 0.204 18.315 ( 0.000 -0.087 0.000) 0.087 31.765 ( 0.000 6.686 0.000) 6.686 32.378 ( 0.000 -9.380 0.000) 9.380 32.751 ( 0.000 4.392 0.000) 4.392 32.930 ( 0.000 -1.398 0.000) 1.398 36.885 ( 0.000 -0.359 0.000) 0.359 36.952 ( 0.000 -1.736 0.000) 1.736 37.056 ( 0.000 1.911 0.000) 1.911 37.128 ( 0.000 -0.001 0.000) 0.001 64.480 ( 0.000 4.513 0.000) 4.513 64.827 ( 0.000 -3.728 0.000) 3.728 67.030 ( 0.000 0.165 0.000) 0.165 67.049 ( 0.000 -0.289 0.000) 0.289 100.133 ( 0.000 0.102 0.000) 0.102 100.145 ( 0.000 -0.222 0.000) 0.222 100.156 ( 0.000 0.211 0.000) 0.211 100.166 ( 0.000 -0.085 0.000) 0.085 ======================= Grid point 16 (10/120) ======================= q-point: ( 0.07 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 18.837 18.459 0.000) 26.373 0.927 ( 26.323 19.755 0.000) 32.911 1.482 ( 19.206 53.681 0.000) 57.014 1.898 ( 9.159 -13.202 0.000) 16.068 2.097 ( 12.050 -11.353 0.000) 16.555 2.550 ( 4.430 4.204 0.000) 6.107 3.232 ( 6.674 -10.298 0.000) 12.272 3.282 ( 0.793 10.570 0.000) 10.600 3.462 ( 4.440 2.368 0.000) 5.032 3.655 ( 3.552 0.143 0.000) 3.555 3.816 ( -0.867 10.629 0.000) 10.664 3.977 ( -2.506 12.227 0.000) 12.481 4.325 ( 4.534 -0.835 0.000) 4.610 4.462 ( 0.092 5.947 0.000) 5.948 4.563 ( 3.905 -3.518 0.000) 5.256 4.788 ( 1.687 -23.860 0.000) 23.920 4.843 ( 3.887 -0.025 0.000) 3.887 4.977 ( 0.028 0.541 0.000) 0.542 5.435 ( 9.164 -3.639 0.000) 9.860 5.575 ( 8.306 -1.630 0.000) 8.465 5.596 ( -0.829 -8.214 0.000) 8.256 5.702 ( 0.360 -6.976 0.000) 6.985 6.120 ( -1.925 5.520 0.000) 5.846 6.173 ( -0.411 0.393 0.000) 0.569 6.174 ( 6.777 -8.651 0.000) 10.990 6.200 ( 0.161 2.738 0.000) 2.743 6.299 ( 12.934 -10.096 0.000) 16.408 6.351 ( -1.055 1.043 0.000) 1.483 7.196 ( -1.873 16.373 0.000) 16.480 7.490 ( -4.547 0.673 0.000) 4.596 7.543 ( -5.825 1.151 0.000) 5.937 8.131 ( -18.289 8.726 0.000) 20.264 12.253 ( 6.826 0.217 0.000) 6.829 12.281 ( 6.478 -0.394 0.000) 6.490 13.154 ( 6.691 5.372 0.000) 8.581 13.616 ( 6.800 -5.628 0.000) 8.827 17.319 ( -4.593 2.626 0.000) 5.291 17.417 ( -2.350 1.073 0.000) 2.583 17.493 ( -3.307 -2.263 0.000) 4.007 17.517 ( -3.332 -1.820 0.000) 3.797 18.231 ( -1.107 0.201 0.000) 1.125 18.251 ( -1.021 -0.242 0.000) 1.049 18.350 ( 3.561 0.075 0.000) 3.562 18.356 ( 3.532 -0.067 0.000) 3.532 31.761 ( -0.491 6.390 0.000) 6.409 32.343 ( -3.537 -8.738 0.000) 9.427 32.464 ( -29.260 27.827 0.000) 40.379 32.697 ( -5.403 3.342 0.000) 6.353 36.880 ( -0.513 -0.094 0.000) 0.522 36.948 ( -0.438 -1.605 0.000) 1.664 37.041 ( -1.590 1.285 0.000) 2.045 37.054 ( -3.897 2.773 0.000) 4.783 64.457 ( -2.165 4.242 0.000) 4.763 64.791 ( -3.647 -3.566 0.000) 5.101 66.126 ( -50.151 51.010 0.000) 71.535 67.009 ( -10.977 -3.845 0.000) 11.631 100.142 ( 0.852 0.062 0.000) 0.854 100.145 ( 1.117 0.014 0.000) 1.117 100.178 ( 2.322 0.454 0.000) 2.366 100.313 ( 7.852 -8.028 0.000) 11.229 ======================= Grid point 17 (11/120) ======================= q-point: ( 0.13 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 23.196 11.940 0.000) 26.089 1.403 ( 22.398 20.955 0.000) 30.673 1.981 ( 28.703 28.054 0.000) 40.136 2.133 ( 14.345 -13.789 0.000) 19.898 2.400 ( 18.130 -7.013 0.000) 19.439 2.676 ( 8.293 6.247 0.000) 10.383 3.308 ( 2.452 10.904 0.000) 11.176 3.406 ( 10.249 -11.240 0.000) 15.211 3.553 ( 3.968 2.548 0.000) 4.716 3.752 ( 6.302 -1.307 0.000) 6.436 3.779 ( -3.732 9.524 0.000) 10.229 3.907 ( -2.910 15.359 0.000) 15.632 4.468 ( 0.541 7.413 0.000) 7.432 4.476 ( 10.596 -0.992 0.000) 10.642 4.654 ( 5.720 -3.202 0.000) 6.555 4.901 ( 10.065 -15.309 0.000) 18.321 4.945 ( 6.323 -1.635 0.000) 6.531 5.053 ( 5.747 -11.139 0.000) 12.534 5.569 ( -1.949 -4.512 0.000) 4.915 5.596 ( 8.430 -1.527 0.000) 8.567 5.711 ( 0.570 -6.443 0.000) 6.469 5.777 ( 12.346 0.610 0.000) 12.361 6.058 ( -4.693 2.142 0.000) 5.158 6.147 ( -1.420 4.988 0.000) 5.186 6.199 ( -1.451 -2.172 0.000) 2.612 6.319 ( 7.192 -9.153 0.000) 11.641 6.339 ( 0.210 2.220 0.000) 2.230 6.504 ( 6.896 -6.424 0.000) 9.425 7.132 ( -5.048 19.448 0.000) 20.093 7.345 ( -8.222 1.166 0.000) 8.304 7.448 ( -3.778 -2.797 0.000) 4.701 7.882 ( -7.459 6.493 0.000) 9.889 12.445 ( 12.612 -0.026 0.000) 12.612 12.461 ( 11.896 -0.346 0.000) 11.901 13.340 ( 12.156 5.603 0.000) 13.385 13.806 ( 12.457 -5.523 0.000) 13.627 17.225 ( -5.283 2.063 0.000) 5.672 17.330 ( -6.461 1.359 0.000) 6.603 17.382 ( -7.798 -0.278 0.000) 7.803 17.443 ( -4.192 -4.592 0.000) 6.218 18.218 ( -0.238 0.262 0.000) 0.354 18.242 ( 0.126 -0.313 0.000) 0.338 18.431 ( 4.751 0.092 0.000) 4.752 18.439 ( 4.890 -0.088 0.000) 4.891 31.747 ( -0.874 5.558 0.000) 5.627 32.066 ( -12.926 22.867 0.000) 26.268 32.248 ( -6.266 -7.065 0.000) 9.444 32.556 ( -8.698 0.961 0.000) 8.750 36.867 ( -0.674 0.324 0.000) 0.748 36.934 ( -0.968 -1.629 0.000) 1.895 37.003 ( -1.237 0.556 0.000) 1.356 37.011 ( -1.755 0.742 0.000) 1.905 64.405 ( -2.981 3.169 0.000) 4.351 64.693 ( -6.202 -2.923 0.000) 6.856 65.452 ( -22.792 40.012 0.000) 46.048 66.709 ( -19.072 -6.454 0.000) 20.134 100.170 ( 1.985 0.161 0.000) 1.991 100.179 ( 2.239 -0.053 0.000) 2.239 100.234 ( 3.257 0.733 0.000) 3.338 100.411 ( 2.945 -5.894 0.000) 6.589 ======================= Grid point 18 (12/120) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 23.589 8.534 0.000) 25.086 1.810 ( 19.461 18.694 0.000) 26.986 2.433 ( 16.083 -13.855 0.000) 21.228 2.439 ( 15.610 5.282 0.000) 16.480 2.802 ( 23.613 5.553 0.000) 24.257 2.858 ( 10.126 7.424 0.000) 12.556 3.378 ( 4.747 11.002 0.000) 11.983 3.553 ( -5.808 9.119 0.000) 10.812 3.607 ( 9.862 -11.798 0.000) 15.377 3.705 ( -0.776 4.162 0.000) 4.234 3.890 ( 7.722 -3.362 0.000) 8.423 3.915 ( 3.275 14.410 0.000) 14.778 4.481 ( 0.697 9.665 0.000) 9.690 4.709 ( 11.765 2.047 0.000) 11.941 4.783 ( 8.236 -6.630 0.000) 10.573 5.075 ( 6.640 -4.755 0.000) 8.167 5.144 ( 10.265 -25.745 0.000) 27.716 5.177 ( 10.700 0.566 0.000) 10.715 5.521 ( -2.861 0.773 0.000) 2.963 5.725 ( 0.740 -5.285 0.000) 5.337 5.757 ( 7.437 1.052 0.000) 7.511 5.940 ( -7.149 0.187 0.000) 7.152 6.048 ( 14.975 -0.357 0.000) 14.980 6.124 ( -1.269 3.531 0.000) 3.752 6.142 ( -3.635 -0.495 0.000) 3.668 6.352 ( 0.546 0.850 0.000) 1.010 6.406 ( 0.521 -6.727 0.000) 6.747 6.565 ( 0.749 0.678 0.000) 1.010 7.040 ( -2.244 12.014 0.000) 12.221 7.216 ( -5.439 -3.213 0.000) 6.317 7.414 ( 0.900 2.209 0.000) 2.385 7.801 ( -1.926 1.300 0.000) 2.323 12.727 ( 15.593 -0.369 0.000) 15.597 12.730 ( 15.704 -0.317 0.000) 15.708 13.611 ( 15.411 5.974 0.000) 16.528 14.086 ( 16.003 -5.425 0.000) 16.897 17.110 ( -6.498 1.507 0.000) 6.671 17.175 ( -9.243 0.446 0.000) 9.254 17.210 ( -9.460 0.315 0.000) 9.465 17.354 ( -4.968 -4.028 0.000) 6.396 18.222 ( 0.689 0.351 0.000) 0.773 18.255 ( 1.156 -0.426 0.000) 1.232 18.532 ( 5.565 0.134 0.000) 5.566 18.543 ( 5.737 -0.120 0.000) 5.738 31.727 ( -1.177 4.350 0.000) 4.506 31.893 ( -6.088 13.379 0.000) 14.699 32.108 ( -7.914 -4.828 0.000) 9.271 32.378 ( -9.233 -1.296 0.000) 9.324 36.856 ( -0.383 0.236 0.000) 0.450 36.912 ( -1.217 -2.090 0.000) 2.418 36.981 ( -1.291 0.180 0.000) 1.303 36.990 ( -0.292 0.390 0.000) 0.487 64.349 ( -2.645 1.819 0.000) 3.210 64.562 ( -6.942 -1.985 0.000) 7.221 65.114 ( -13.936 25.197 0.000) 28.794 66.300 ( -22.377 -8.283 0.000) 23.861 100.216 ( 2.637 0.242 0.000) 2.648 100.229 ( 2.793 -0.053 0.000) 2.794 100.299 ( 3.345 0.821 0.000) 3.445 100.448 ( 1.170 -3.372 0.000) 3.569 ======================= Grid point 19 (13/120) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 22.467 6.375 0.000) 23.354 2.139 ( 13.541 15.240 0.000) 20.387 2.606 ( 3.855 -0.407 0.000) 3.877 2.743 ( 15.513 -12.999 0.000) 20.239 3.056 ( 10.135 6.774 0.000) 12.191 3.254 ( 20.252 8.015 0.000) 21.780 3.395 ( -7.575 13.001 0.000) 15.047 3.489 ( 6.552 11.153 0.000) 12.935 3.726 ( 1.445 -0.058 0.000) 1.446 3.769 ( 6.522 -12.578 0.000) 14.168 4.014 ( 6.635 11.578 0.000) 13.345 4.045 ( 8.101 -4.892 0.000) 9.464 4.489 ( -0.031 12.158 0.000) 12.158 4.836 ( 2.507 -2.140 0.000) 3.297 5.014 ( 11.850 2.796 0.000) 12.175 5.170 ( 1.792 -9.128 0.000) 9.302 5.243 ( 3.795 -14.887 0.000) 15.363 5.481 ( -0.166 6.162 0.000) 6.165 5.484 ( 16.461 -7.934 0.000) 18.273 5.716 ( -3.816 0.865 0.000) 3.913 5.810 ( -3.905 -4.342 0.000) 5.839 5.859 ( 3.332 1.818 0.000) 3.795 6.052 ( -4.491 -4.664 0.000) 6.475 6.121 ( 0.123 6.705 0.000) 6.706 6.217 ( -3.751 -9.628 0.000) 10.332 6.348 ( -0.944 -0.418 0.000) 1.033 6.456 ( 12.952 9.600 0.000) 16.122 6.622 ( 5.496 0.600 0.000) 5.528 7.054 ( 2.500 -2.655 0.000) 3.647 7.135 ( -2.357 -3.854 0.000) 4.517 7.476 ( 4.723 6.395 0.000) 7.950 7.778 ( -1.014 -0.432 0.000) 1.102 13.031 ( 15.584 -0.199 0.000) 15.585 13.051 ( 16.499 -0.858 0.000) 16.521 13.920 ( 15.922 6.440 0.000) 17.175 14.409 ( 16.789 -5.395 0.000) 17.634 16.964 ( -9.174 2.015 0.000) 9.392 16.992 ( -8.717 0.377 0.000) 8.725 17.031 ( -8.600 0.200 0.000) 8.603 17.253 ( -5.251 -4.055 0.000) 6.634 18.243 ( 1.362 0.447 0.000) 1.434 18.285 ( 1.866 -0.559 0.000) 1.948 18.643 ( 5.817 0.185 0.000) 5.820 18.658 ( 5.992 -0.149 0.000) 5.994 31.701 ( -1.506 2.881 0.000) 3.251 31.804 ( -3.412 7.774 0.000) 8.490 31.950 ( -8.084 -2.576 0.000) 8.485 32.210 ( -7.824 -2.467 0.000) 8.204 36.852 ( -0.106 -0.567 0.000) 0.577 36.889 ( -1.096 -2.494 0.000) 2.724 36.963 ( -0.500 0.799 0.000) 0.942 36.988 ( -0.019 0.845 0.000) 0.845 64.309 ( -1.256 0.532 0.000) 1.364 64.434 ( -6.026 -0.956 0.000) 6.102 64.874 ( -11.166 16.657 0.000) 20.053 65.861 ( -22.400 -8.467 0.000) 23.947 100.268 ( 2.724 0.310 0.000) 2.742 100.285 ( 2.892 -0.048 0.000) 2.892 100.360 ( 2.877 0.645 0.000) 2.949 100.463 ( 0.467 -1.929 0.000) 1.984 ======================= Grid point 20 (14/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 1.314 10.878 0.000) 10.958 2.460 ( 19.980 4.648 0.000) 20.513 2.682 ( 5.237 5.074 0.000) 7.292 3.010 ( 11.202 -10.150 0.000) 15.117 3.228 ( -6.776 10.288 0.000) 12.318 3.260 ( 11.306 3.707 0.000) 11.898 3.614 ( 13.396 2.263 0.000) 13.586 3.622 ( 6.925 11.000 0.000) 12.998 3.747 ( 1.389 2.294 0.000) 2.682 3.857 ( 2.581 -13.118 0.000) 13.370 4.159 ( 7.871 7.563 0.000) 10.916 4.197 ( 7.236 -5.268 0.000) 8.950 4.476 ( -1.431 13.563 0.000) 13.639 4.815 ( -4.906 0.653 0.000) 4.950 5.121 ( -0.298 6.475 0.000) 6.482 5.122 ( -5.803 -7.569 0.000) 9.537 5.344 ( 6.225 -6.843 0.000) 9.251 5.511 ( -1.261 2.754 0.000) 3.029 5.588 ( -3.524 5.905 0.000) 6.877 5.777 ( 12.675 -7.899 0.000) 14.935 5.803 ( 0.947 -4.798 0.000) 4.890 5.931 ( 3.545 -4.131 0.000) 5.443 5.970 ( -3.765 -4.251 0.000) 5.679 6.113 ( -1.975 -3.111 0.000) 3.685 6.135 ( 1.260 4.664 0.000) 4.831 6.318 ( -1.936 -0.766 0.000) 2.082 6.744 ( 7.453 0.191 0.000) 7.455 6.770 ( 14.889 5.582 0.000) 15.901 7.111 ( 3.539 -2.084 0.000) 4.107 7.142 ( 2.943 -10.127 0.000) 10.546 7.568 ( 4.143 6.608 0.000) 7.799 7.750 ( -2.064 -0.689 0.000) 2.176 13.314 ( 13.166 -0.119 0.000) 13.167 13.349 ( 13.845 -1.272 0.000) 13.903 14.211 ( 13.685 6.912 0.000) 15.331 14.719 ( 14.626 -5.450 0.000) 15.609 16.778 ( -9.175 2.431 0.000) 9.491 16.831 ( -7.924 2.271 0.000) 8.243 16.889 ( -6.174 -1.092 0.000) 6.270 17.155 ( -4.697 -4.509 0.000) 6.511 18.272 ( 1.601 0.541 0.000) 1.690 18.324 ( 2.079 -0.699 0.000) 2.194 18.752 ( 5.240 0.241 0.000) 5.245 18.770 ( 5.394 -0.169 0.000) 5.397 31.670 ( -1.656 1.210 0.000) 2.051 31.748 ( -2.914 3.749 0.000) 4.748 31.809 ( -5.802 0.262 0.000) 5.808 32.079 ( -5.668 -2.557 0.000) 6.218 36.851 ( -0.067 -1.696 0.000) 1.698 36.871 ( -0.820 -2.746 0.000) 2.866 36.961 ( 0.233 1.801 0.000) 1.816 36.988 ( 0.060 1.529 0.000) 1.530 64.301 ( -0.277 -0.454 0.000) 0.532 64.341 ( -2.658 -0.123 0.000) 2.661 64.676 ( -9.173 11.521 0.000) 14.727 65.443 ( -20.404 -7.440 0.000) 21.718 100.318 ( 2.325 0.378 0.000) 2.355 100.339 ( 2.629 -0.071 0.000) 2.630 100.409 ( 2.131 0.334 0.000) 2.158 100.468 ( 0.016 -1.070 0.000) 1.070 ======================= Grid point 21 (15/120) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -2.258 7.234 0.000) 7.578 2.778 ( 3.692 14.822 0.000) 15.275 2.808 ( 15.503 2.768 0.000) 15.749 3.112 ( -5.695 2.458 0.000) 6.203 3.163 ( 4.725 -5.706 0.000) 7.409 3.493 ( 11.950 -0.188 0.000) 11.952 3.733 ( 2.398 -2.036 0.000) 3.145 3.746 ( 5.469 9.900 0.000) 11.310 3.844 ( 5.608 3.673 0.000) 6.704 3.878 ( -0.176 -12.101 0.000) 12.102 4.306 ( 6.890 3.912 0.000) 7.923 4.317 ( 4.916 -4.327 0.000) 6.549 4.435 ( -2.646 12.063 0.000) 12.350 4.676 ( -7.723 7.929 0.000) 11.069 4.991 ( -6.795 -5.135 0.000) 8.517 5.093 ( -1.659 5.325 0.000) 5.577 5.371 ( -7.990 4.520 0.000) 9.180 5.446 ( 4.507 -1.466 0.000) 4.739 5.638 ( 3.444 2.031 0.000) 3.999 5.797 ( -7.328 -6.907 0.000) 10.070 5.823 ( 1.048 -3.087 0.000) 3.260 5.909 ( -2.583 -3.381 0.000) 4.255 6.083 ( 10.813 -6.513 0.000) 12.623 6.165 ( 1.625 2.929 0.000) 3.350 6.212 ( 8.482 -2.013 0.000) 8.718 6.282 ( -1.668 -0.562 0.000) 1.760 6.839 ( 3.170 -1.127 0.000) 3.364 7.021 ( 8.642 0.352 0.000) 8.649 7.209 ( 6.174 0.480 0.000) 6.192 7.232 ( 6.655 -9.029 0.000) 11.217 7.624 ( 1.574 4.603 0.000) 4.865 7.695 ( -3.659 -0.823 0.000) 3.751 13.529 ( 8.657 -0.065 0.000) 8.658 13.574 ( 9.047 -1.553 0.000) 9.179 14.436 ( 9.180 7.284 0.000) 11.719 14.960 ( 9.900 -5.545 0.000) 11.347 16.624 ( -6.372 3.375 0.000) 7.211 16.698 ( -5.530 2.918 0.000) 6.253 16.789 ( -4.047 -1.624 0.000) 4.360 17.077 ( -3.265 -5.018 0.000) 5.987 18.301 ( 1.293 0.617 0.000) 1.433 18.362 ( 1.655 -0.825 0.000) 1.849 18.840 ( 3.691 0.292 0.000) 3.702 18.861 ( 3.799 -0.178 0.000) 3.803 31.640 ( -1.319 -0.213 0.000) 1.336 31.671 ( -4.112 -0.152 0.000) 4.115 31.748 ( -1.283 3.883 0.000) 4.089 31.991 ( -3.384 -2.213 0.000) 4.043 36.849 ( -0.064 -2.492 0.000) 2.492 36.858 ( -0.507 -2.902 0.000) 2.946 36.969 ( 0.482 2.494 0.000) 2.540 36.990 ( 0.063 2.132 0.000) 2.132 64.268 ( -1.508 1.545 0.000) 2.159 64.362 ( 2.720 -1.926 0.000) 3.333 64.530 ( -5.118 7.800 0.000) 9.330 65.078 ( -17.056 -5.814 0.000) 18.020 100.356 ( 1.553 0.440 0.000) 1.615 100.385 ( 2.118 -0.162 0.000) 2.124 100.442 ( 1.271 0.032 0.000) 1.271 100.464 ( -0.399 -0.497 0.000) 0.638 ======================= Grid point 22 (16/120) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -0.324 5.530 0.000) 5.540 2.827 ( 1.701 24.021 0.000) 24.082 3.003 ( -4.429 -5.648 0.000) 7.177 3.040 ( 7.457 0.263 0.000) 7.462 3.204 ( -0.077 -2.767 0.000) 2.768 3.683 ( 6.308 -0.887 0.000) 6.370 3.800 ( 3.956 3.449 0.000) 5.249 3.823 ( 2.293 7.666 0.000) 8.001 3.859 ( -1.353 -9.507 0.000) 9.603 3.885 ( -0.968 -4.657 0.000) 4.756 4.372 ( -0.244 9.884 0.000) 9.887 4.396 ( 0.169 -4.032 0.000) 4.035 4.407 ( 2.947 1.139 0.000) 3.160 4.567 ( -2.943 12.712 0.000) 13.048 4.889 ( -3.007 -4.402 0.000) 5.331 5.066 ( -0.869 6.594 0.000) 6.651 5.255 ( -3.330 6.539 0.000) 7.339 5.535 ( 5.005 -2.193 0.000) 5.465 5.650 ( -6.949 -4.562 0.000) 8.312 5.681 ( 1.054 -0.677 0.000) 1.252 5.843 ( 1.119 -2.440 0.000) 2.684 5.869 ( -1.528 -2.035 0.000) 2.545 6.190 ( 0.754 2.128 0.000) 2.257 6.227 ( 3.608 -5.375 0.000) 6.474 6.259 ( -0.613 -0.327 0.000) 0.695 6.354 ( 4.622 -3.514 0.000) 5.806 6.876 ( 0.875 -0.554 0.000) 1.035 7.104 ( 1.314 -7.668 0.000) 7.780 7.294 ( 2.371 1.605 0.000) 2.863 7.399 ( 7.991 -2.299 0.000) 8.315 7.605 ( -4.797 -0.820 0.000) 4.866 7.639 ( 0.045 2.118 0.000) 2.119 13.643 ( 3.001 -0.037 0.000) 3.001 13.693 ( 3.126 -1.688 0.000) 3.552 14.558 ( 3.224 7.485 0.000) 8.150 15.092 ( 3.491 -5.614 0.000) 6.611 16.539 ( -2.281 4.005 0.000) 4.609 16.624 ( -1.968 3.183 0.000) 3.742 16.735 ( -1.429 -1.872 0.000) 2.355 17.033 ( -1.171 -5.335 0.000) 5.462 18.319 ( 0.498 0.662 0.000) 0.828 18.385 ( 0.636 -0.903 0.000) 1.104 18.890 ( 1.335 0.325 0.000) 1.374 18.912 ( 1.375 -0.180 0.000) 1.386 31.611 ( -1.437 -0.039 0.000) 1.437 31.626 ( -0.575 -1.077 0.000) 1.221 31.734 ( -0.310 3.833 0.000) 3.846 31.947 ( -1.122 -1.940 0.000) 2.241 36.849 ( 0.018 -2.852 0.000) 2.852 36.851 ( -0.214 -2.959 0.000) 2.967 36.976 ( 0.229 2.769 0.000) 2.778 36.991 ( 0.022 2.480 0.000) 2.480 64.258 ( 0.173 3.349 0.000) 3.353 64.366 ( -1.762 1.063 0.000) 2.058 64.544 ( 5.801 0.538 0.000) 5.826 64.793 ( -11.453 -4.061 0.000) 12.152 100.377 ( 0.546 0.481 0.000) 0.727 100.419 ( 1.271 -0.438 0.000) 1.345 100.451 ( -0.588 -0.060 0.000) 0.591 100.460 ( 0.332 -0.085 0.000) 0.343 ======================= Grid point 30 (17/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 24.990 0.000) 24.990 1.119 ( 0.000 26.998 0.000) 26.998 1.454 ( 0.000 -21.982 0.000) 21.982 1.598 ( 0.000 -21.873 0.000) 21.873 2.539 ( 0.000 58.585 0.000) 58.585 2.663 ( 0.000 11.875 0.000) 11.875 2.920 ( 0.000 -13.851 0.000) 13.851 3.376 ( 0.000 -16.308 0.000) 16.308 3.478 ( 0.000 8.700 0.000) 8.700 3.595 ( 0.000 -3.488 0.000) 3.488 3.864 ( 0.000 -3.609 0.000) 3.609 3.999 ( 0.000 -29.869 0.000) 29.869 4.231 ( 0.000 11.559 0.000) 11.559 4.431 ( 0.000 -8.622 0.000) 8.622 4.542 ( 0.000 23.840 0.000) 23.840 4.609 ( 0.000 9.118 0.000) 9.118 4.765 ( 0.000 -5.546 0.000) 5.546 4.978 ( 0.000 -17.443 0.000) 17.443 5.411 ( 0.000 8.663 0.000) 8.663 5.464 ( 0.000 2.128 0.000) 2.128 5.485 ( 0.000 -1.256 0.000) 1.256 5.551 ( 0.000 -6.865 0.000) 6.865 5.966 ( 0.000 -4.043 0.000) 4.043 6.006 ( 0.000 -7.325 0.000) 7.325 6.186 ( 0.000 0.644 0.000) 0.644 6.189 ( 0.000 0.390 0.000) 0.390 6.299 ( 0.000 4.869 0.000) 4.869 6.359 ( 0.000 -1.353 0.000) 1.353 7.399 ( 0.000 4.343 0.000) 4.343 7.464 ( 0.000 -3.318 0.000) 3.318 7.851 ( 0.000 17.763 0.000) 17.763 8.180 ( 0.000 -15.032 0.000) 15.032 12.195 ( 0.000 0.556 0.000) 0.556 12.206 ( 0.000 -0.622 0.000) 0.622 13.227 ( 0.000 8.724 0.000) 8.724 13.403 ( 0.000 -8.961 0.000) 8.961 17.399 ( 0.000 0.537 0.000) 0.537 17.410 ( 0.000 -0.636 0.000) 0.636 17.533 ( 0.000 0.617 0.000) 0.617 17.544 ( 0.000 -0.467 0.000) 0.467 18.255 ( 0.000 0.411 0.000) 0.411 18.264 ( 0.000 -0.499 0.000) 0.499 18.308 ( 0.000 0.264 0.000) 0.264 18.312 ( 0.000 -0.193 0.000) 0.193 31.941 ( 0.000 11.015 0.000) 11.015 32.167 ( 0.000 -11.885 0.000) 11.885 32.831 ( 0.000 3.669 0.000) 3.669 32.891 ( 0.000 -2.614 0.000) 2.614 36.888 ( 0.000 0.786 0.000) 0.786 36.914 ( 0.000 -1.882 0.000) 1.882 37.095 ( 0.000 1.817 0.000) 1.817 37.121 ( 0.000 -0.835 0.000) 0.835 64.594 ( 0.000 6.895 0.000) 6.895 64.727 ( 0.000 -6.410 0.000) 6.410 67.035 ( 0.000 0.324 0.000) 0.324 67.042 ( 0.000 -0.401 0.000) 0.401 100.136 ( 0.000 0.182 0.000) 0.182 100.140 ( 0.000 -0.226 0.000) 0.226 100.160 ( 0.000 0.205 0.000) 0.205 100.164 ( 0.000 -0.156 0.000) 0.156 ======================= Grid point 31 (18/120) ======================= q-point: ( 0.07 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 12.455 22.438 0.000) 25.663 1.333 ( 19.217 21.949 0.000) 29.173 1.553 ( 9.638 -21.109 0.000) 23.205 1.740 ( 13.593 -19.259 0.000) 23.573 2.620 ( 8.474 55.000 0.000) 55.649 2.721 ( 5.784 12.379 0.000) 13.663 2.985 ( 6.396 -14.119 0.000) 15.500 3.416 ( 3.915 -16.330 0.000) 16.793 3.486 ( 0.918 9.164 0.000) 9.210 3.617 ( 2.192 -4.334 0.000) 4.857 3.885 ( 1.648 -2.098 0.000) 2.668 4.043 ( 4.304 -28.089 0.000) 28.417 4.229 ( 0.056 13.027 0.000) 13.027 4.446 ( 2.467 -7.558 0.000) 7.951 4.602 ( 5.293 19.374 0.000) 20.084 4.620 ( 1.197 9.727 0.000) 9.800 4.790 ( 2.457 -6.371 0.000) 6.828 4.983 ( 1.124 -12.658 0.000) 12.707 5.428 ( 3.880 6.467 0.000) 7.542 5.496 ( 1.093 -0.620 0.000) 1.256 5.556 ( 6.937 -2.749 0.000) 7.462 5.564 ( 1.280 -6.522 0.000) 6.647 6.052 ( 8.407 -1.876 0.000) 8.614 6.128 ( 10.953 -7.862 0.000) 13.482 6.163 ( -2.610 0.792 0.000) 2.727 6.174 ( -1.446 -0.334 0.000) 1.484 6.296 ( -0.371 4.855 0.000) 4.869 6.354 ( -0.340 -1.192 0.000) 1.240 7.379 ( -2.282 3.924 0.000) 4.539 7.444 ( -2.176 -3.418 0.000) 4.052 7.768 ( -7.808 17.684 0.000) 19.332 8.068 ( -10.116 -11.530 0.000) 15.338 12.260 ( 6.656 0.477 0.000) 6.673 12.271 ( 6.532 -0.580 0.000) 6.557 13.294 ( 6.837 8.777 0.000) 11.126 13.471 ( 6.872 -8.941 0.000) 11.277 17.361 ( -3.267 2.080 0.000) 3.873 17.403 ( -1.367 -2.146 0.000) 2.544 17.480 ( -5.025 0.892 0.000) 5.104 17.499 ( -4.603 -0.867 0.000) 4.684 18.237 ( -1.071 0.364 0.000) 1.131 18.245 ( -1.046 -0.391 0.000) 1.117 18.352 ( 3.542 0.137 0.000) 3.544 18.354 ( 3.531 -0.131 0.000) 3.533 31.928 ( -1.285 10.519 0.000) 10.597 32.144 ( -2.349 -11.311 0.000) 11.553 32.724 ( -14.950 4.628 0.000) 15.650 32.746 ( -8.234 1.280 0.000) 8.333 36.886 ( -0.175 0.873 0.000) 0.891 36.913 ( -0.201 -1.794 0.000) 1.805 37.067 ( -2.576 1.173 0.000) 2.830 37.079 ( -3.424 0.139 0.000) 3.427 64.566 ( -2.738 6.636 0.000) 7.179 64.694 ( -3.245 -6.185 0.000) 6.985 66.695 ( -27.922 16.008 0.000) 32.186 66.903 ( -15.602 -7.375 0.000) 17.257 100.143 ( 0.949 0.085 0.000) 0.953 100.145 ( 1.000 -0.052 0.000) 1.002 100.192 ( 2.902 1.042 0.000) 3.084 100.223 ( 4.645 -2.478 0.000) 5.265 ======================= Grid point 32 (19/120) ======================= q-point: ( 0.13 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 18.638 18.031 0.000) 25.932 1.750 ( 21.611 16.616 0.000) 27.260 1.802 ( 15.364 -19.069 0.000) 24.488 2.060 ( 17.531 -14.724 0.000) 22.894 2.864 ( 16.138 44.529 0.000) 47.363 2.873 ( 9.455 13.217 0.000) 16.251 3.149 ( 9.889 -14.580 0.000) 17.618 3.513 ( 5.473 -13.539 0.000) 14.604 3.520 ( 2.772 10.103 0.000) 10.476 3.679 ( 4.236 -6.200 0.000) 7.509 3.899 ( -0.809 3.316 0.000) 3.414 4.114 ( 0.907 -18.011 0.000) 18.034 4.282 ( 7.639 7.722 0.000) 10.862 4.550 ( 8.340 -13.165 0.000) 15.584 4.654 ( 2.237 11.055 0.000) 11.279 4.727 ( 7.517 17.352 0.000) 18.910 4.853 ( 3.804 -8.307 0.000) 9.136 5.041 ( 4.990 -8.118 0.000) 9.529 5.524 ( 1.716 0.964 0.000) 1.968 5.559 ( 9.017 3.486 0.000) 9.667 5.595 ( 1.745 -5.495 0.000) 5.765 5.716 ( 9.565 -7.785 0.000) 12.332 6.088 ( -5.080 1.561 0.000) 5.315 6.126 ( -3.528 -2.456 0.000) 4.299 6.247 ( 10.505 2.345 0.000) 10.764 6.284 ( -0.827 5.229 0.000) 5.294 6.349 ( -0.245 -1.371 0.000) 1.393 6.361 ( 11.461 -7.692 0.000) 13.803 7.296 ( -6.567 2.702 0.000) 7.101 7.357 ( -8.012 -3.505 0.000) 8.746 7.612 ( -5.708 17.215 0.000) 18.136 7.868 ( -8.631 -7.922 0.000) 11.716 12.446 ( 12.264 0.231 0.000) 12.266 12.453 ( 12.012 -0.446 0.000) 12.021 13.485 ( 12.447 8.941 0.000) 15.325 13.662 ( 12.545 -8.907 0.000) 15.385 17.276 ( -5.447 3.261 0.000) 6.349 17.347 ( -6.307 -3.156 0.000) 7.052 17.360 ( -5.268 0.270 0.000) 5.275 17.377 ( -7.501 -0.892 0.000) 7.554 18.225 ( -0.132 0.452 0.000) 0.471 18.234 ( 0.003 -0.484 0.000) 0.484 18.433 ( 4.796 0.165 0.000) 4.799 18.437 ( 4.848 -0.162 0.000) 4.851 31.893 ( -2.314 9.120 0.000) 9.409 32.079 ( -4.268 -9.674 0.000) 10.573 32.411 ( -15.439 11.691 0.000) 19.366 32.543 ( -11.762 -2.954 0.000) 12.127 36.879 ( -0.545 0.980 0.000) 1.121 36.904 ( -0.821 -1.490 0.000) 1.701 37.012 ( -2.365 0.556 0.000) 2.430 37.020 ( -2.465 -0.078 0.000) 2.466 64.496 ( -4.242 5.769 0.000) 7.160 64.609 ( -5.323 -5.465 0.000) 7.629 66.123 ( -28.202 27.165 0.000) 39.157 66.513 ( -23.001 -14.371 0.000) 27.122 100.174 ( 2.096 0.210 0.000) 2.106 100.177 ( 2.197 -0.149 0.000) 2.202 100.258 ( 3.641 1.907 0.000) 4.110 100.313 ( 4.143 -3.938 0.000) 5.716 ======================= Grid point 33 (20/120) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 20.536 14.341 0.000) 25.048 2.127 ( 17.629 -16.650 0.000) 24.249 2.129 ( 17.161 13.996 0.000) 22.145 2.366 ( 13.206 -10.347 0.000) 16.776 3.066 ( 9.918 13.331 0.000) 16.616 3.206 ( 17.676 30.057 0.000) 34.869 3.343 ( 9.505 -14.685 0.000) 17.492 3.597 ( 5.138 10.808 0.000) 11.967 3.599 ( 2.416 -6.128 0.000) 6.587 3.779 ( 6.039 -7.887 0.000) 9.933 3.854 ( -3.119 9.264 0.000) 9.775 4.105 ( -0.210 -7.854 0.000) 7.857 4.509 ( 14.097 -1.542 0.000) 14.181 4.702 ( 2.421 12.310 0.000) 12.546 4.747 ( 11.005 -14.916 0.000) 18.536 4.900 ( 10.445 13.809 0.000) 17.315 4.927 ( 3.497 -10.346 0.000) 10.921 5.169 ( 8.045 -7.539 0.000) 11.026 5.558 ( 1.683 3.057 0.000) 3.489 5.631 ( 1.981 -4.351 0.000) 4.781 5.746 ( 9.207 2.995 0.000) 9.682 5.910 ( 9.355 -10.770 0.000) 14.266 5.969 ( -6.985 2.648 0.000) 7.470 6.040 ( -5.088 -4.584 0.000) 6.848 6.265 ( -1.161 5.653 0.000) 5.770 6.341 ( -0.694 -2.196 0.000) 2.303 6.435 ( 8.979 6.166 0.000) 10.892 6.542 ( 7.216 -3.663 0.000) 8.092 7.131 ( -9.674 0.637 0.000) 9.695 7.159 ( -9.735 -2.372 0.000) 10.019 7.580 ( 1.367 11.875 0.000) 11.953 7.763 ( -2.526 -5.945 0.000) 6.459 12.721 ( 15.549 -0.109 0.000) 15.549 12.723 ( 15.437 -0.280 0.000) 15.439 13.763 ( 15.831 9.226 0.000) 18.323 13.944 ( 16.029 -8.920 0.000) 18.344 17.152 ( -7.246 2.479 0.000) 7.658 17.180 ( -9.481 -0.227 0.000) 9.484 17.220 ( -8.234 0.958 0.000) 8.290 17.269 ( -5.318 -4.103 0.000) 6.717 18.232 ( 0.821 0.600 0.000) 1.017 18.244 ( 0.997 -0.647 0.000) 1.188 18.535 ( 5.625 0.226 0.000) 5.629 18.540 ( 5.691 -0.219 0.000) 5.695 31.841 ( -3.028 7.054 0.000) 7.677 31.982 ( -5.605 -7.111 0.000) 9.055 32.156 ( -10.786 11.418 0.000) 15.707 32.318 ( -10.926 -5.413 0.000) 12.193 36.864 ( -1.010 0.575 0.000) 1.162 36.880 ( -1.478 -1.191 0.000) 1.898 36.983 ( -0.793 0.262 0.000) 0.835 36.990 ( -0.469 -0.349 0.000) 0.584 64.412 ( -4.192 4.331 0.000) 6.028 64.499 ( -5.733 -4.255 0.000) 7.140 65.637 ( -22.045 25.922 0.000) 34.028 66.056 ( -23.374 -17.209 0.000) 29.026 100.221 ( 2.721 0.310 0.000) 2.739 100.226 ( 2.784 -0.201 0.000) 2.791 100.326 ( 3.224 2.041 0.000) 3.816 100.379 ( 2.685 -3.396 0.000) 4.330 ======================= Grid point 34 (21/120) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 20.138 11.437 0.000) 23.159 2.410 ( 11.403 11.000 0.000) 15.844 2.471 ( 17.534 -14.210 0.000) 22.569 2.561 ( 7.183 -4.913 0.000) 8.703 3.244 ( 8.315 12.134 0.000) 14.709 3.485 ( 8.746 12.302 0.000) 15.094 3.501 ( 6.644 -13.888 0.000) 15.396 3.578 ( -3.963 2.939 0.000) 4.933 3.715 ( 6.801 11.032 0.000) 12.960 3.831 ( 2.297 13.438 0.000) 13.633 3.910 ( 7.279 -8.866 0.000) 11.471 4.135 ( 3.215 -7.526 0.000) 8.184 4.738 ( 0.999 12.932 0.000) 12.971 4.761 ( 10.049 1.528 0.000) 10.164 4.961 ( 10.651 -12.054 0.000) 16.086 4.973 ( 0.854 -11.312 0.000) 11.344 5.121 ( 11.782 9.471 0.000) 15.116 5.361 ( 11.865 -9.813 0.000) 15.397 5.586 ( 1.077 4.752 0.000) 4.872 5.672 ( 2.145 -4.355 0.000) 4.855 5.826 ( -7.383 4.828 0.000) 8.822 5.871 ( 2.868 3.769 0.000) 4.736 5.940 ( -4.861 -6.395 0.000) 8.033 6.022 ( 1.502 -9.733 0.000) 9.849 6.241 ( -1.155 5.356 0.000) 5.480 6.320 ( -1.448 -2.727 0.000) 3.088 6.629 ( 11.973 6.609 0.000) 13.677 6.663 ( 6.043 2.213 0.000) 6.436 6.991 ( -3.892 -2.545 0.000) 4.650 7.022 ( -3.810 -5.672 0.000) 6.832 7.629 ( 2.976 7.779 0.000) 8.329 7.742 ( -0.343 -3.718 0.000) 3.734 13.029 ( 15.733 0.034 0.000) 15.733 13.035 ( 16.036 -0.623 0.000) 16.048 14.081 ( 16.411 9.617 0.000) 19.022 14.266 ( 16.709 -9.036 0.000) 18.996 16.993 ( -9.476 0.804 0.000) 9.510 17.003 ( -7.840 0.033 0.000) 7.841 17.062 ( -8.004 3.790 0.000) 8.856 17.157 ( -6.036 -5.471 0.000) 8.146 18.255 ( 1.500 0.770 0.000) 1.686 18.271 ( 1.690 -0.839 0.000) 1.887 18.648 ( 5.885 0.299 0.000) 5.893 18.654 ( 5.952 -0.277 0.000) 5.959 31.777 ( -3.546 4.644 0.000) 5.843 31.866 ( -6.157 -4.105 0.000) 7.400 31.989 ( -6.615 8.519 0.000) 10.786 32.132 ( -8.074 -5.799 0.000) 9.941 36.843 ( -1.051 -0.162 0.000) 1.063 36.852 ( -1.328 -1.204 0.000) 1.792 36.980 ( 0.330 0.859 0.000) 0.920 36.992 ( 0.459 -0.336 0.000) 0.569 64.342 ( -2.836 2.587 0.000) 3.839 64.396 ( -4.619 -2.687 0.000) 5.344 65.256 ( -17.506 20.855 0.000) 27.228 65.621 ( -21.185 -16.216 0.000) 26.679 100.276 ( 2.807 0.392 0.000) 2.834 100.282 ( 2.874 -0.235 0.000) 2.883 100.381 ( 2.441 1.575 0.000) 2.905 100.420 ( 1.605 -2.332 0.000) 2.831 ======================= Grid point 35 (22/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 1.234 11.922 0.000) 11.986 2.591 ( 17.734 8.833 0.000) 19.812 2.688 ( 6.437 -3.957 0.000) 7.556 2.791 ( 14.838 -11.500 0.000) 18.773 3.394 ( 7.397 9.405 0.000) 11.965 3.446 ( -6.299 9.675 0.000) 11.545 3.577 ( 0.632 -4.566 0.000) 4.609 3.604 ( 4.249 -12.084 0.000) 12.809 3.847 ( 6.488 11.266 0.000) 13.001 3.940 ( 6.849 15.762 0.000) 17.186 4.051 ( 6.847 -9.451 0.000) 11.670 4.214 ( 4.469 -7.359 0.000) 8.609 4.731 ( -1.782 12.477 0.000) 12.603 4.883 ( 3.078 9.463 0.000) 9.951 4.949 ( -3.285 -10.163 0.000) 10.681 5.105 ( 3.847 -9.319 0.000) 10.082 5.346 ( 10.007 8.408 0.000) 13.070 5.581 ( -2.681 4.466 0.000) 5.209 5.585 ( 8.377 -13.570 0.000) 15.947 5.667 ( -3.446 -2.470 0.000) 4.239 5.750 ( 1.291 3.932 0.000) 4.139 5.867 ( -2.399 -6.246 0.000) 6.691 5.890 ( 1.800 4.180 0.000) 4.551 6.022 ( 1.284 -6.619 0.000) 6.742 6.224 ( -0.565 4.186 0.000) 4.224 6.288 ( -1.638 -2.451 0.000) 2.948 6.775 ( 4.755 4.387 0.000) 6.470 6.893 ( 13.737 -0.114 0.000) 13.737 6.951 ( -0.046 -2.488 0.000) 2.488 7.048 ( 6.128 -4.930 0.000) 7.865 7.675 ( 1.419 4.167 0.000) 4.402 7.729 ( -1.329 -1.651 0.000) 2.119 13.314 ( 13.274 0.223 0.000) 13.276 13.326 ( 13.498 -0.982 0.000) 13.534 14.382 ( 14.140 10.052 0.000) 17.349 14.573 ( 14.471 -9.249 0.000) 17.174 16.822 ( -8.017 2.028 0.000) 8.270 16.858 ( -6.825 -1.743 0.000) 7.044 16.914 ( -7.011 5.941 0.000) 9.190 17.042 ( -5.578 -6.769 0.000) 8.771 18.287 ( 1.726 0.940 0.000) 1.966 18.307 ( 1.908 -1.037 0.000) 2.171 18.758 ( 5.307 0.372 0.000) 5.320 18.765 ( 5.366 -0.329 0.000) 5.376 31.706 ( -3.536 2.358 0.000) 4.250 31.751 ( -5.474 -2.037 0.000) 5.841 31.891 ( -3.704 6.364 0.000) 7.364 32.005 ( -5.116 -5.070 0.000) 7.203 36.825 ( -0.765 -0.684 0.000) 1.027 36.830 ( -0.935 -1.244 0.000) 1.556 36.991 ( 0.790 1.218 0.000) 1.452 37.004 ( 0.649 0.030 0.000) 0.649 64.307 ( -0.791 0.912 0.000) 1.208 64.328 ( -2.123 -1.055 0.000) 2.371 64.950 ( -14.006 15.676 0.000) 21.022 65.239 ( -18.135 -13.408 0.000) 22.553 100.327 ( 2.426 0.498 0.000) 2.476 100.335 ( 2.552 -0.303 0.000) 2.570 100.420 ( 1.630 0.902 0.000) 1.863 100.443 ( 0.832 -1.358 0.000) 1.593 ======================= Grid point 36 (23/120) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -2.425 15.793 0.000) 15.978 2.774 ( 1.769 -10.158 0.000) 10.311 2.891 ( 12.660 5.818 0.000) 13.933 3.026 ( 8.910 -7.726 0.000) 11.794 3.346 ( -3.509 15.372 0.000) 15.767 3.543 ( 7.958 4.996 0.000) 9.396 3.593 ( 1.577 -10.454 0.000) 10.572 3.676 ( 3.274 -8.701 0.000) 9.296 3.954 ( 4.276 11.227 0.000) 12.013 4.037 ( 2.710 14.143 0.000) 14.400 4.163 ( 4.434 -10.010 0.000) 10.948 4.289 ( 2.813 -8.704 0.000) 9.147 4.672 ( -3.991 11.210 0.000) 11.899 4.859 ( -5.345 -8.308 0.000) 9.879 4.903 ( -0.279 15.913 0.000) 15.915 5.142 ( 0.749 -4.480 0.000) 4.542 5.465 ( 2.865 4.312 0.000) 5.178 5.488 ( -5.122 7.224 0.000) 8.855 5.611 ( -3.461 -10.548 0.000) 11.101 5.621 ( -1.720 -5.170 0.000) 5.449 5.791 ( 2.080 1.485 0.000) 2.556 5.845 ( -0.181 -3.265 0.000) 3.270 6.016 ( 9.174 1.517 0.000) 9.298 6.121 ( 7.467 -6.856 0.000) 10.137 6.221 ( 0.202 2.624 0.000) 2.631 6.262 ( -1.045 -1.574 0.000) 1.889 6.842 ( 2.456 2.352 0.000) 3.401 6.943 ( 0.326 -7.424 0.000) 7.431 7.167 ( 12.575 1.990 0.000) 12.731 7.207 ( 8.896 -1.156 0.000) 8.970 7.676 ( -1.354 1.072 0.000) 1.727 7.684 ( -3.258 -0.207 0.000) 3.265 13.530 ( 8.721 0.346 0.000) 8.727 13.545 ( 8.847 -1.217 0.000) 8.931 14.614 ( 9.496 10.426 0.000) 14.103 14.812 ( 9.754 -9.479 0.000) 13.601 16.690 ( -5.368 3.145 0.000) 6.221 16.746 ( -4.579 -2.662 0.000) 5.297 16.797 ( -4.896 7.158 0.000) 8.672 16.948 ( -3.940 -7.854 0.000) 8.787 18.318 ( 1.385 1.084 0.000) 1.759 18.341 ( 1.522 -1.210 0.000) 1.944 18.848 ( 3.742 0.435 0.000) 3.767 18.856 ( 3.784 -0.366 0.000) 3.802 31.646 ( -2.535 0.662 0.000) 2.620 31.661 ( -3.713 -0.757 0.000) 3.790 31.838 ( -1.842 5.027 0.000) 5.354 31.929 ( -2.803 -4.131 0.000) 4.992 36.814 ( -0.435 -0.988 0.000) 1.079 36.816 ( -0.546 -1.232 0.000) 1.348 37.007 ( 0.709 1.300 0.000) 1.481 37.016 ( 0.516 0.447 0.000) 0.682 64.300 ( 0.425 1.628 0.000) 1.683 64.330 ( 1.992 -1.500 0.000) 2.494 64.714 ( -10.073 10.845 0.000) 14.801 64.922 ( -14.398 -9.987 0.000) 17.522 100.367 ( 1.664 0.655 0.000) 1.788 100.379 ( 1.900 -0.483 0.000) 1.961 100.445 ( 0.872 0.279 0.000) 0.915 100.453 ( 0.240 -0.566 0.000) 0.614 ======================= Grid point 37 (24/120) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -1.059 16.237 0.000) 16.272 2.771 ( -0.967 -13.555 0.000) 13.589 3.064 ( 4.771 2.498 0.000) 5.385 3.133 ( 2.412 -4.209 0.000) 4.851 3.311 ( -0.494 20.138 0.000) 20.144 3.631 ( 1.575 -13.671 0.000) 13.762 3.680 ( 4.980 0.826 0.000) 5.048 3.726 ( 1.308 -4.268 0.000) 4.464 4.008 ( 1.268 10.678 0.000) 10.753 4.055 ( -0.164 14.483 0.000) 14.484 4.216 ( 1.110 -10.480 0.000) 10.539 4.320 ( 0.565 -10.585 0.000) 10.600 4.602 ( -2.325 10.302 0.000) 10.561 4.773 ( -2.733 -7.483 0.000) 7.966 4.896 ( -0.196 18.901 0.000) 18.902 5.149 ( 0.156 -3.109 0.000) 3.112 5.416 ( -1.995 9.540 0.000) 9.747 5.497 ( 0.998 -0.479 0.000) 1.107 5.543 ( -2.544 -4.810 0.000) 5.442 5.595 ( -0.759 -8.126 0.000) 8.162 5.820 ( 0.798 0.890 0.000) 1.195 5.846 ( 0.055 -1.305 0.000) 1.306 6.154 ( 3.965 -0.027 0.000) 3.965 6.227 ( 0.278 1.540 0.000) 1.565 6.242 ( 3.784 -7.228 0.000) 8.159 6.249 ( -0.320 -0.773 0.000) 0.837 6.875 ( 0.887 1.234 0.000) 1.519 6.950 ( 0.228 -6.687 0.000) 6.691 7.341 ( 4.606 2.733 0.000) 5.356 7.377 ( 7.336 -0.941 0.000) 7.396 7.604 ( -4.132 1.092 0.000) 4.274 7.639 ( -1.846 -1.758 0.000) 2.549 13.646 ( 3.022 0.405 0.000) 3.049 13.662 ( 3.062 -1.328 0.000) 3.338 14.740 ( 3.336 10.640 0.000) 11.151 14.941 ( 3.432 -9.626 0.000) 10.220 16.619 ( -1.890 3.813 0.000) 4.256 16.685 ( -1.601 -3.116 0.000) 3.503 16.731 ( -1.772 7.773 0.000) 7.972 16.895 ( -1.423 -8.482 0.000) 8.600 18.337 ( 0.532 1.169 0.000) 1.284 18.362 ( 0.584 -1.315 0.000) 1.439 18.898 ( 1.355 0.472 0.000) 1.435 18.907 ( 1.370 -0.385 0.000) 1.423 31.610 ( -1.188 0.027 0.000) 1.189 31.613 ( -1.020 -0.335 0.000) 1.074 31.815 ( -0.563 4.347 0.000) 4.383 31.893 ( -0.897 -3.560 0.000) 3.671 36.808 ( -0.132 -1.143 0.000) 1.150 36.809 ( -0.186 -1.200 0.000) 1.214 37.017 ( 0.279 1.282 0.000) 1.313 37.023 ( 0.192 0.712 0.000) 0.738 64.330 ( 2.151 3.457 0.000) 4.072 64.374 ( 1.232 -0.861 0.000) 1.503 64.584 ( -2.124 4.085 0.000) 4.604 64.690 ( -8.799 -6.133 0.000) 10.725 100.390 ( 0.601 0.815 0.000) 1.013 100.406 ( 0.812 -0.830 0.000) 1.161 100.453 ( -0.034 0.167 0.000) 0.171 100.457 ( 0.216 -0.215 0.000) 0.305 ======================= Grid point 75 (25/120) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 0.000 25.967) 25.967 0.508 ( 0.000 0.000 26.251) 26.251 0.956 ( 0.000 0.000 48.821) 48.821 2.067 ( 0.000 0.000 14.229) 14.229 2.158 ( 0.000 0.000 5.377) 5.377 2.605 ( 0.000 0.000 9.878) 9.878 3.066 ( 0.000 0.000 -8.957) 8.957 3.219 ( 0.000 0.000 -18.327) 18.327 3.378 ( 0.000 0.000 1.218) 1.218 3.525 ( 0.000 0.000 -7.709) 7.709 3.868 ( 0.000 0.000 1.098) 1.098 3.908 ( 0.000 0.000 12.842) 12.842 4.356 ( 0.000 0.000 2.164) 2.164 4.456 ( 0.000 0.000 -5.121) 5.121 4.497 ( 0.000 0.000 5.164) 5.164 4.622 ( 0.000 0.000 -4.738) 4.738 4.860 ( 0.000 0.000 5.137) 5.137 5.072 ( 0.000 0.000 -1.384) 1.384 5.215 ( 0.000 0.000 1.704) 1.704 5.521 ( 0.000 0.000 -0.918) 0.918 5.782 ( 0.000 0.000 0.013) 0.013 5.959 ( 0.000 0.000 -7.153) 7.153 5.995 ( 0.000 0.000 -0.932) 0.932 6.096 ( 0.000 0.000 -3.618) 3.618 6.099 ( 0.000 0.000 -3.725) 3.725 6.201 ( 0.000 0.000 -0.627) 0.627 6.447 ( 0.000 0.000 8.126) 8.126 6.516 ( 0.000 0.000 -3.079) 3.079 6.937 ( 0.000 0.000 -8.035) 8.035 7.490 ( 0.000 0.000 -7.421) 7.421 7.591 ( 0.000 0.000 2.600) 2.600 7.723 ( 0.000 0.000 0.386) 0.386 12.329 ( 0.000 0.000 14.070) 14.070 13.084 ( 0.000 0.000 4.741) 4.741 13.667 ( 0.000 0.000 6.133) 6.133 14.853 ( 0.000 0.000 -4.033) 4.033 17.300 ( 0.000 0.000 0.684) 0.684 17.393 ( 0.000 0.000 0.509) 0.509 17.423 ( 0.000 0.000 -0.351) 0.351 17.546 ( 0.000 0.000 -0.695) 0.695 18.248 ( 0.000 0.000 0.017) 0.017 18.278 ( 0.000 0.000 0.157) 0.157 18.294 ( 0.000 0.000 -0.642) 0.642 18.357 ( 0.000 0.000 -0.510) 0.510 31.701 ( 0.000 0.000 0.177) 0.177 31.768 ( 0.000 0.000 -0.388) 0.388 32.492 ( 0.000 0.000 0.493) 0.493 32.678 ( 0.000 0.000 -1.337) 1.337 36.894 ( 0.000 0.000 0.372) 0.372 36.971 ( 0.000 0.000 0.031) 0.031 36.994 ( 0.000 0.000 -0.162) 0.162 37.029 ( 0.000 0.000 -0.591) 0.591 64.455 ( 0.000 0.000 2.112) 2.112 64.921 ( 0.000 0.000 5.963) 5.963 65.000 ( 0.000 0.000 -2.483) 2.483 66.939 ( 0.000 0.000 -11.369) 11.369 100.133 ( 0.000 0.000 0.101) 0.101 100.138 ( 0.000 0.000 0.057) 0.057 100.149 ( 0.000 0.000 0.170) 0.170 100.155 ( 0.000 0.000 0.115) 0.115 ======================= Grid point 76 (26/120) ======================= q-point: ( 0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 20.685 0.000 17.152) 26.871 0.812 ( 20.967 0.000 19.759) 28.811 1.236 ( 27.586 0.000 34.039) 43.814 2.156 ( 8.922 0.000 12.801) 15.603 2.275 ( 11.141 0.000 5.722) 12.525 2.646 ( 3.687 0.000 10.166) 10.814 3.098 ( 3.011 0.000 -6.886) 7.515 3.181 ( 0.554 0.000 -14.439) 14.449 3.400 ( 2.296 0.000 -0.868) 2.454 3.566 ( 3.896 0.000 -7.327) 8.299 3.839 ( -3.168 0.000 1.015) 3.327 3.897 ( -0.398 0.000 13.452) 13.458 4.396 ( 4.453 0.000 1.811) 4.807 4.470 ( 1.547 0.000 0.040) 1.548 4.492 ( 0.295 0.000 0.505) 0.585 4.675 ( 5.297 0.000 -4.789) 7.140 4.915 ( 5.513 0.000 5.214) 7.588 5.266 ( 12.821 0.000 -9.462) 15.935 5.290 ( 7.082 0.000 1.162) 7.177 5.534 ( 1.249 0.000 -1.663) 2.079 5.769 ( -1.247 0.000 1.080) 1.649 5.904 ( -4.559 0.000 2.995) 5.455 5.946 ( -0.896 0.000 -6.514) 6.575 6.128 ( 2.788 0.000 -2.902) 4.024 6.145 ( 4.277 0.000 -3.705) 5.659 6.311 ( 5.318 0.000 -0.301) 5.327 6.448 ( 0.773 0.000 8.896) 8.929 6.516 ( -0.033 0.000 -2.770) 2.770 6.892 ( -4.759 0.000 -8.638) 9.862 7.450 ( -3.720 0.000 -5.242) 6.428 7.555 ( -3.561 0.000 1.273) 3.782 7.657 ( -3.714 0.000 -2.117) 4.275 12.392 ( 6.496 0.000 13.690) 15.153 13.148 ( 6.459 0.000 4.633) 7.949 13.562 ( -61.026 0.000 64.783) 89.000 13.729 ( 6.344 0.000 5.679) 8.514 17.277 ( -2.388 0.000 0.674) 2.481 17.394 ( -2.793 0.000 -0.512) 2.839 17.502 ( -4.439 0.000 -0.647) 4.486 17.504 ( 1.785 0.000 -4.883) 5.199 18.244 ( -0.873 0.000 0.818) 1.196 18.255 ( -0.892 0.000 0.131) 0.902 18.343 ( 3.451 0.000 -0.621) 3.507 18.360 ( 2.175 0.000 -0.044) 2.175 31.699 ( -0.187 0.000 0.167) 0.251 31.764 ( -0.388 0.000 -0.379) 0.542 32.450 ( -4.289 0.000 0.544) 4.324 32.637 ( -4.127 0.000 -1.277) 4.320 36.886 ( -0.780 0.000 0.419) 0.885 36.969 ( -0.239 0.000 0.017) 0.240 36.991 ( -0.327 0.000 -0.157) 0.363 37.021 ( -0.742 0.000 -0.587) 0.946 64.440 ( -1.464 0.000 2.066) 2.532 64.873 ( -4.557 0.000 5.203) 6.916 64.987 ( -1.699 0.000 -1.741) 2.432 66.893 ( -7.264 0.000 -13.455) 15.291 100.143 ( 0.832 0.000 0.221) 0.861 100.145 ( 1.258 0.000 0.059) 1.260 100.174 ( 2.140 0.000 0.009) 2.140 100.329 ( 8.585 0.000 -8.425) 12.028 ======================= Grid point 77 (27/120) ======================= q-point: ( 0.13 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 23.876 0.000 10.039) 25.900 1.216 ( 21.169 0.000 16.832) 27.045 1.861 ( 32.594 0.000 15.927) 36.277 2.395 ( 15.248 0.000 11.920) 19.354 2.542 ( 15.047 0.000 5.055) 15.873 2.744 ( 6.627 0.000 10.577) 12.482 3.170 ( 4.258 0.000 -2.465) 4.920 3.271 ( 7.487 0.000 -16.053) 17.713 3.452 ( 2.080 0.000 -4.068) 4.569 3.627 ( -0.544 0.000 -7.486) 7.506 3.788 ( 1.486 0.000 1.190) 1.904 3.909 ( 2.010 0.000 12.586) 12.745 4.470 ( -0.602 0.000 6.048) 6.078 4.524 ( 8.357 0.000 0.831) 8.399 4.576 ( 7.133 0.000 -5.249) 8.856 4.819 ( 9.208 0.000 -5.078) 10.515 5.067 ( 9.953 0.000 5.388) 11.318 5.452 ( 5.507 0.000 -5.770) 7.976 5.457 ( 9.245 0.000 -0.073) 9.246 5.568 ( 1.885 0.000 -3.457) 3.938 5.762 ( 2.196 0.000 2.304) 3.183 5.860 ( -0.405 0.000 1.877) 1.920 5.937 ( 0.074 0.000 -5.389) 5.389 6.143 ( -2.094 0.000 3.432) 4.020 6.237 ( 4.707 0.000 -3.124) 5.650 6.340 ( -1.976 0.000 5.437) 5.785 6.519 ( 0.598 0.000 -1.836) 1.931 6.546 ( 10.027 0.000 3.087) 10.492 6.747 ( -10.102 0.000 -8.954) 13.499 7.364 ( -4.917 0.000 -1.320) 5.092 7.464 ( -5.216 0.000 -1.515) 5.432 7.631 ( 0.704 0.000 -8.719) 8.747 12.575 ( 12.129 0.000 12.695) 17.558 12.971 ( -8.674 0.000 41.275) 42.177 13.328 ( 11.774 0.000 4.271) 12.525 13.907 ( 11.796 0.000 4.580) 12.654 17.209 ( -4.530 0.000 0.650) 4.576 17.310 ( -5.969 0.000 -0.487) 5.989 17.380 ( -7.993 0.000 -0.510) 8.009 17.470 ( -3.884 0.000 -2.485) 4.611 18.229 ( -0.364 0.000 1.243) 1.295 18.249 ( 0.324 0.000 0.406) 0.520 18.421 ( 4.571 0.000 -0.920) 4.663 18.431 ( 4.649 0.000 -0.944) 4.744 31.693 ( -0.361 0.000 0.145) 0.389 31.753 ( -0.727 0.000 -0.349) 0.806 32.332 ( -7.562 0.000 0.676) 7.592 32.526 ( -7.021 0.000 -1.140) 7.113 36.869 ( -0.800 0.000 0.494) 0.940 36.961 ( -0.553 0.000 -0.026) 0.554 36.981 ( -0.702 0.000 -0.132) 0.714 37.003 ( -1.064 0.000 -0.476) 1.166 64.402 ( -2.342 0.000 1.918) 3.027 64.759 ( -6.855 0.000 4.787) 8.361 64.928 ( -4.330 0.000 -1.393) 4.549 66.656 ( -16.356 0.000 -11.279) 19.868 100.172 ( 1.988 0.000 0.349) 2.018 100.180 ( 2.238 0.000 0.049) 2.238 100.226 ( 3.097 0.000 -0.122) 3.100 100.426 ( 2.619 0.000 -5.010) 5.653 ======================= Grid point 78 (28/120) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 21.895 0.000 11.454) 24.710 1.639 ( 21.534 0.000 6.425) 22.472 2.379 ( 18.392 0.000 3.701) 18.760 2.730 ( 17.422 0.000 13.551) 22.072 2.816 ( 12.797 0.000 4.176) 13.461 2.927 ( 14.039 0.000 10.691) 17.647 3.254 ( 3.563 0.000 -0.385) 3.583 3.413 ( -5.911 0.000 0.163) 5.913 3.442 ( 9.915 0.000 -14.761) 17.781 3.596 ( 0.315 0.000 -10.339) 10.343 3.913 ( 9.010 0.000 -0.719) 9.038 3.988 ( 6.225 0.000 11.255) 12.862 4.455 ( -1.073 0.000 6.012) 6.107 4.703 ( 9.479 0.000 -1.876) 9.663 4.728 ( 7.628 0.000 -4.840) 9.034 5.015 ( 10.419 0.000 -5.567) 11.813 5.284 ( 11.450 0.000 4.026) 12.137 5.496 ( -0.277 0.000 -2.335) 2.351 5.574 ( -0.094 0.000 1.143) 1.147 5.620 ( 7.025 0.000 -1.264) 7.137 5.821 ( 0.460 0.000 1.303) 1.382 5.924 ( 6.000 0.000 -1.985) 6.320 5.951 ( 1.412 0.000 -3.981) 4.224 6.080 ( -1.304 0.000 5.846) 5.990 6.281 ( -2.859 0.000 8.273) 8.753 6.313 ( 2.951 0.000 -1.825) 3.469 6.505 ( -9.933 0.000 -6.682) 11.971 6.564 ( 0.379 0.000 -0.399) 0.550 6.788 ( 13.707 0.000 -1.773) 13.821 7.253 ( -6.475 0.000 0.020) 6.475 7.390 ( -1.777 0.000 -3.433) 3.865 7.662 ( 1.910 0.000 -9.917) 10.099 12.850 ( 15.670 0.000 11.421) 19.390 12.997 ( 8.216 0.000 24.534) 25.874 13.591 ( 14.955 0.000 3.871) 15.448 14.175 ( 15.408 0.000 3.355) 15.769 17.102 ( -6.584 0.000 0.560) 6.608 17.165 ( -8.681 0.000 -0.446) 8.692 17.204 ( -9.602 0.000 -0.243) 9.605 17.380 ( -5.067 0.000 -1.670) 5.335 18.232 ( 0.635 0.000 1.275) 1.425 18.266 ( 1.381 0.000 0.716) 1.556 18.518 ( 5.361 0.000 -1.271) 5.510 18.532 ( 5.611 0.000 -1.310) 5.762 31.685 ( -0.501 0.000 0.125) 0.516 31.736 ( -0.966 0.000 -0.293) 1.010 32.167 ( -9.196 0.000 0.843) 9.234 32.376 ( -8.088 0.000 -1.034) 8.154 36.859 ( -0.188 0.000 0.498) 0.533 36.947 ( -0.877 0.000 -0.083) 0.881 36.965 ( -0.918 0.000 -0.087) 0.922 36.984 ( -0.859 0.000 -0.347) 0.926 64.356 ( -2.186 0.000 1.642) 2.734 64.617 ( -7.558 0.000 4.507) 8.799 64.823 ( -6.363 0.000 -1.258) 6.486 66.289 ( -20.727 0.000 -9.040) 22.613 100.217 ( 2.606 0.000 0.410) 2.638 100.229 ( 2.779 0.000 0.038) 2.779 100.289 ( 3.343 0.000 -0.206) 3.349 100.458 ( 0.933 0.000 -2.608) 2.770 ======================= Grid point 79 (29/120) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 15.130 0.000 3.932) 15.633 2.057 ( 21.287 0.000 6.908) 22.380 2.566 ( 2.297 0.000 -2.336) 3.276 2.961 ( 8.616 0.000 4.052) 9.521 3.091 ( 14.976 0.000 11.663) 18.982 3.206 ( -6.624 0.000 -2.137) 6.960 3.303 ( 21.378 0.000 10.514) 23.824 3.403 ( 4.560 0.000 4.711) 6.557 3.613 ( 0.945 0.000 -12.073) 12.110 3.645 ( 10.461 0.000 -12.717) 16.467 4.097 ( 9.431 0.000 -0.494) 9.444 4.137 ( 8.578 0.000 10.985) 13.938 4.420 ( -2.836 0.000 6.381) 6.982 4.836 ( 2.354 0.000 -4.132) 4.755 4.856 ( 5.215 0.000 -6.667) 8.464 5.202 ( 8.069 0.000 -6.834) 10.574 5.443 ( 3.681 0.000 0.246) 3.690 5.447 ( -4.105 0.000 5.475) 6.843 5.609 ( 2.306 0.000 -2.841) 3.659 5.755 ( 8.496 0.000 -0.292) 8.501 5.803 ( -1.599 0.000 4.902) 5.156 5.907 ( -2.339 0.000 2.629) 3.519 5.992 ( 2.777 0.000 -2.443) 3.698 6.121 ( -1.838 0.000 1.827) 2.591 6.290 ( -9.254 0.000 -3.650) 9.948 6.351 ( 0.237 0.000 0.112) 0.262 6.359 ( 13.621 0.000 3.144) 13.979 6.645 ( 5.961 0.000 0.834) 6.019 7.044 ( 12.007 0.000 -3.135) 12.410 7.143 ( -3.949 0.000 -0.852) 4.040 7.391 ( 1.607 0.000 -3.468) 3.823 7.692 ( 1.011 0.000 -8.159) 8.222 13.164 ( 16.144 0.000 10.185) 19.089 13.215 ( 12.967 0.000 17.501) 21.782 13.891 ( 15.447 0.000 3.474) 15.833 14.488 ( 16.376 0.000 2.352) 16.544 16.944 ( -9.723 0.000 0.103) 9.724 16.985 ( -9.586 0.000 -0.469) 9.597 17.034 ( -7.469 0.000 0.462) 7.484 17.281 ( -5.108 0.000 -1.477) 5.318 18.252 ( 1.360 0.000 1.362) 1.925 18.301 ( 2.102 0.000 1.043) 2.347 18.626 ( 5.618 0.000 -1.629) 5.849 18.644 ( 5.899 0.000 -1.560) 6.101 31.674 ( -0.570 0.000 0.120) 0.583 31.717 ( -1.069 0.000 -0.207) 1.088 31.987 ( -9.076 0.000 0.999) 9.131 32.223 ( -7.498 0.000 -1.030) 7.569 36.863 ( 0.506 0.000 0.403) 0.647 36.929 ( -0.865 0.000 -0.099) 0.870 36.947 ( -0.874 0.000 -0.045) 0.876 36.970 ( -0.628 0.000 -0.271) 0.684 64.325 ( -0.784 0.000 1.205) 1.438 64.474 ( -6.915 0.000 4.017) 7.997 64.689 ( -7.248 0.000 -0.977) 7.313 65.873 ( -21.671 0.000 -7.081) 22.799 100.269 ( 2.653 0.000 0.382) 2.680 100.285 ( 2.881 0.000 0.019) 2.881 100.352 ( 3.010 0.000 -0.230) 3.019 100.469 ( 0.307 0.000 -1.431) 1.463 ======================= Grid point 80 (30/120) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 5.200 0.000 1.151) 5.325 2.443 ( 15.611 0.000 0.963) 15.641 2.544 ( -0.520 0.000 -1.420) 1.512 3.108 ( 6.380 0.000 0.611) 6.409 3.123 ( -1.317 0.000 -0.598) 1.446 3.380 ( 14.567 0.000 11.473) 18.543 3.496 ( 4.350 0.000 -0.190) 4.354 3.637 ( 2.021 0.000 -7.213) 7.490 3.675 ( 16.233 0.000 9.363) 18.739 3.831 ( 8.523 0.000 -11.532) 14.340 4.266 ( 7.499 0.000 -0.992) 7.564 4.304 ( 8.358 0.000 11.738) 14.409 4.337 ( -5.585 0.000 6.587) 8.637 4.784 ( -7.476 0.000 -1.533) 7.632 4.886 ( -1.891 0.000 -10.563) 10.731 5.298 ( 2.601 0.000 -9.545) 9.893 5.357 ( -4.909 0.000 9.729) 10.898 5.512 ( 5.249 0.000 0.565) 5.279 5.542 ( -8.445 0.000 1.379) 8.557 5.830 ( 1.821 0.000 -0.672) 1.941 5.904 ( 2.905 0.000 -3.199) 4.321 5.958 ( 9.171 0.000 3.135) 9.692 6.054 ( -3.783 0.000 3.643) 5.252 6.064 ( 5.602 0.000 -0.221) 5.607 6.154 ( -3.523 0.000 0.694) 3.590 6.338 ( -1.527 0.000 1.351) 2.039 6.673 ( 16.604 0.000 -2.162) 16.744 6.759 ( 4.837 0.000 -1.215) 4.987 7.126 ( 2.426 0.000 -0.024) 2.427 7.238 ( 7.807 0.000 -2.995) 8.362 7.444 ( 3.559 0.000 -3.043) 4.683 7.697 ( -0.521 0.000 -5.685) 5.709 13.456 ( 13.586 0.000 9.173) 16.393 13.465 ( 12.166 0.000 14.692) 19.076 14.173 ( 13.254 0.000 3.100) 13.612 14.791 ( 14.367 0.000 1.626) 14.459 16.750 ( -9.636 0.000 -0.052) 9.636 16.806 ( -8.507 0.000 -0.575) 8.527 16.909 ( -5.603 0.000 0.945) 5.682 17.187 ( -4.434 0.000 -1.426) 4.658 18.282 ( 1.626 0.000 1.502) 2.214 18.344 ( 2.301 0.000 1.360) 2.673 18.731 ( 5.073 0.000 -1.942) 5.432 18.755 ( 5.333 0.000 -1.736) 5.609 31.664 ( -0.535 0.000 0.131) 0.551 31.696 ( -1.087 0.000 -0.056) 1.089 31.824 ( -7.388 0.000 1.076) 7.466 32.092 ( -5.822 0.000 -1.122) 5.929 36.876 ( 0.834 0.000 0.260) 0.873 36.915 ( -0.589 0.000 -0.084) 0.595 36.932 ( -0.620 0.000 -0.037) 0.621 36.959 ( -0.493 0.000 -0.238) 0.547 64.333 ( 1.799 0.000 0.587) 1.892 64.355 ( -5.241 0.000 3.277) 6.181 64.550 ( -6.817 0.000 -0.462) 6.832 65.463 ( -20.259 0.000 -5.360) 20.956 100.317 ( 2.227 0.000 0.279) 2.245 100.339 ( 2.638 0.000 -0.009) 2.638 100.404 ( 2.316 0.000 -0.200) 2.325 100.471 ( -0.111 0.000 -0.813) 0.820 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.342 0.000 -1.870) 1.901 2.429 ( -4.445 0.000 -6.105) 7.552 2.809 ( 15.613 0.000 1.977) 15.737 3.113 ( -1.507 0.000 -1.256) 1.962 3.197 ( 2.436 0.000 -0.915) 2.602 3.582 ( 5.673 0.000 -5.128) 7.647 3.641 ( 11.850 0.000 10.639) 15.925 3.700 ( 3.964 0.000 1.236) 4.152 3.912 ( 7.808 0.000 2.629) 8.238 3.980 ( 7.115 0.000 -4.523) 8.431 4.184 ( -9.292 0.000 1.619) 9.432 4.397 ( 5.154 0.000 0.569) 5.185 4.454 ( 6.844 0.000 11.782) 13.626 4.611 ( -8.412 0.000 3.542) 9.128 4.810 ( -5.048 0.000 -11.666) 12.712 5.262 ( -4.627 0.000 10.634) 11.597 5.353 ( 3.413 0.000 -9.985) 10.552 5.364 ( -8.746 0.000 3.674) 9.487 5.608 ( 3.176 0.000 -0.756) 3.265 5.841 ( -5.733 0.000 -2.666) 6.322 5.845 ( 0.386 0.000 -0.413) 0.565 5.987 ( -2.850 0.000 3.500) 4.514 6.153 ( 1.890 0.000 1.064) 2.169 6.188 ( 11.908 0.000 -0.177) 11.909 6.203 ( 6.712 0.000 1.461) 6.869 6.302 ( -1.815 0.000 1.575) 2.403 6.819 ( 1.634 0.000 -3.679) 4.025 6.959 ( 11.837 0.000 -5.621) 13.104 7.213 ( 5.294 0.000 1.249) 5.439 7.354 ( 4.774 0.000 -1.449) 4.989 7.517 ( 3.601 0.000 -2.291) 4.268 7.670 ( -2.327 0.000 -3.298) 4.037 13.668 ( 8.297 0.000 13.632) 15.959 13.677 ( 8.881 0.000 8.465) 12.269 14.391 ( 8.873 0.000 2.777) 9.297 15.029 ( 9.736 0.000 1.112) 9.799 16.587 ( -6.791 0.000 -0.014) 6.791 16.665 ( -5.816 0.000 -0.702) 5.858 16.817 ( -3.702 0.000 1.280) 3.917 17.113 ( -3.033 0.000 -1.391) 3.337 18.311 ( 1.323 0.000 1.647) 2.113 18.385 ( 1.821 0.000 1.622) 2.439 18.816 ( 3.579 0.000 -2.168) 4.185 18.845 ( 3.769 0.000 -1.835) 4.192 31.654 ( -0.381 0.000 0.148) 0.409 31.669 ( -2.072 0.000 0.638) 2.168 31.713 ( -3.507 0.000 0.563) 3.552 32.000 ( -3.614 0.000 -1.245) 3.823 36.891 ( 0.622 0.000 0.170) 0.644 36.907 ( -0.296 0.000 -0.073) 0.305 36.924 ( -0.236 0.000 -0.098) 0.256 36.951 ( -0.341 0.000 -0.214) 0.403 64.275 ( -2.997 0.000 2.374) 3.824 64.400 ( 5.183 0.000 -0.219) 5.187 64.433 ( -5.059 0.000 0.255) 5.065 65.097 ( -17.211 0.000 -3.844) 17.635 100.353 ( 1.467 0.000 0.152) 1.475 100.386 ( 2.175 0.000 -0.044) 2.175 100.440 ( 1.439 0.000 -0.142) 1.446 100.464 ( -0.544 0.000 -0.475) 0.722 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.47 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.557 0.000 -4.228) 4.265 2.365 ( -1.848 0.000 -6.761) 7.008 3.057 ( -2.745 0.000 -2.174) 3.502 3.061 ( 10.053 0.000 -0.045) 10.053 3.191 ( -3.316 0.000 -1.003) 3.464 3.722 ( 7.235 0.000 -0.996) 7.303 3.764 ( 2.114 0.000 2.888) 3.579 3.813 ( 5.008 0.000 10.136) 11.306 4.000 ( 2.007 0.000 -4.279) 4.726 4.000 ( -8.208 0.000 -3.653) 8.985 4.085 ( 2.940 0.000 3.329) 4.442 4.462 ( 1.164 0.000 -0.400) 1.231 4.499 ( -2.496 0.000 8.154) 8.527 4.556 ( 3.137 0.000 11.087) 11.522 4.724 ( -2.944 0.000 -12.046) 12.401 5.196 ( -1.440 0.000 10.084) 10.186 5.231 ( -4.500 0.000 5.188) 6.868 5.424 ( 3.207 0.000 -11.396) 11.839 5.600 ( -2.868 0.000 -3.415) 4.459 5.778 ( -0.606 0.000 2.268) 2.347 5.851 ( 0.241 0.000 -0.293) 0.379 5.947 ( -1.143 0.000 3.524) 3.705 6.184 ( 1.000 0.000 1.683) 1.958 6.273 ( -0.557 0.000 0.853) 1.019 6.299 ( 2.270 0.000 1.164) 2.551 6.364 ( 5.212 0.000 -1.859) 5.534 6.836 ( 0.347 0.000 -4.704) 4.716 7.102 ( 3.037 0.000 -8.294) 8.832 7.292 ( 2.333 0.000 1.488) 2.767 7.453 ( 5.177 0.000 -0.058) 5.177 7.569 ( 1.516 0.000 -1.743) 2.310 7.606 ( -3.916 0.000 -1.330) 4.135 13.778 ( 2.912 0.000 13.289) 13.604 13.794 ( 3.067 0.000 8.100) 8.661 14.509 ( 3.112 0.000 2.579) 4.042 15.158 ( 3.428 0.000 0.812) 3.522 16.496 ( -2.442 0.000 0.029) 2.442 16.587 ( -2.063 0.000 -0.783) 2.206 16.768 ( -1.298 0.000 1.510) 1.991 17.073 ( -1.080 0.000 -1.363) 1.738 18.330 ( 0.510 0.000 1.740) 1.813 18.411 ( 0.698 0.000 1.775) 1.907 18.865 ( 1.296 0.000 -2.285) 2.627 18.896 ( 1.367 0.000 -1.873) 2.318 31.625 ( -1.506 0.000 1.383) 2.045 31.649 ( -0.138 0.000 0.160) 0.211 31.684 ( -0.436 0.000 -0.081) 0.444 31.953 ( -1.218 0.000 -1.328) 1.802 36.899 ( 0.153 0.000 0.181) 0.238 36.903 ( -0.083 0.000 -0.071) 0.110 36.922 ( 0.025 0.000 -0.207) 0.208 36.946 ( -0.126 0.000 -0.196) 0.233 64.238 ( -0.866 0.000 1.577) 1.799 64.362 ( -1.961 0.000 0.948) 2.178 64.530 ( 7.452 0.000 -1.165) 7.542 64.809 ( -11.618 0.000 -2.554) 11.896 100.373 ( 0.511 0.000 0.065) 0.515 100.423 ( 1.579 0.000 -0.063) 1.580 100.449 ( -1.015 0.000 -0.327) 1.066 100.459 ( 0.486 0.000 -0.097) 0.496 ======================= Grid point 90 (33/120) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 21.495 16.934) 27.364 0.973 ( 0.000 16.440 31.524) 35.553 1.432 ( 0.000 52.402 16.984) 55.085 1.964 ( 0.000 -11.196 15.391) 19.033 2.037 ( 0.000 -10.941 6.628) 12.793 2.593 ( 0.000 1.856 8.439) 8.641 3.115 ( 0.000 -7.404 -7.695) 10.679 3.140 ( 0.000 5.755 -11.855) 13.178 3.471 ( 0.000 8.096 4.229) 9.134 3.518 ( 0.000 -0.799 -9.636) 9.669 3.902 ( 0.000 1.492 5.783) 5.973 4.003 ( 0.000 9.957 0.466) 9.967 4.342 ( 0.000 4.540 6.525) 7.949 4.455 ( 0.000 -2.179 -5.609) 6.017 4.530 ( 0.000 2.952 5.967) 6.657 4.763 ( 0.000 5.175 -5.174) 7.318 4.775 ( 0.000 -35.324 -0.154) 35.324 5.078 ( 0.000 15.954 -1.674) 16.041 5.099 ( 0.000 1.697 -1.487) 2.257 5.507 ( 0.000 -4.036 1.851) 4.441 5.677 ( 0.000 -9.071 -2.370) 9.375 5.743 ( 0.000 -14.390 1.079) 14.430 6.034 ( 0.000 -5.185 -3.690) 6.364 6.061 ( 0.000 -2.784 -5.944) 6.564 6.163 ( 0.000 4.325 -0.718) 4.384 6.208 ( 0.000 5.193 2.797) 5.898 6.343 ( 0.000 -5.910 10.241) 11.824 6.442 ( 0.000 -0.532 7.711) 7.729 7.162 ( 0.000 17.887 -6.318) 18.970 7.503 ( 0.000 2.451 -9.203) 9.524 7.548 ( 0.000 -3.677 1.691) 4.047 7.997 ( 0.000 8.639 -22.796) 24.378 12.341 ( 0.000 1.465 14.977) 15.048 13.136 ( 0.000 5.260 4.698) 7.052 13.242 ( 0.000 -64.734 61.279) 89.138 13.607 ( 0.000 -6.005 5.812) 8.358 17.395 ( 0.000 0.221 0.448) 0.500 17.413 ( 0.000 0.097 -0.897) 0.903 17.475 ( 0.000 4.228 -3.290) 5.357 17.544 ( 0.000 -0.249 -0.716) 0.757 18.249 ( 0.000 0.206 0.019) 0.207 18.274 ( 0.000 -0.357 0.137) 0.382 18.297 ( 0.000 0.238 -0.609) 0.654 18.323 ( 0.000 -1.184 0.432) 1.261 31.770 ( 0.000 6.939 0.457) 6.954 32.386 ( 0.000 -9.123 0.902) 9.167 32.513 ( 0.000 27.045 -27.917) 38.869 32.727 ( 0.000 3.326 -2.451) 4.132 36.888 ( 0.000 -0.398 0.355) 0.533 36.950 ( 0.000 -1.716 -0.168) 1.724 37.046 ( 0.000 1.478 -1.021) 1.796 37.057 ( 0.000 2.793 -4.124) 4.981 64.501 ( 0.000 4.987 2.290) 5.487 64.882 ( 0.000 -4.016 5.687) 6.962 66.203 ( 0.000 50.317 -51.979) 72.344 66.925 ( 0.000 -1.569 -12.447) 12.545 100.134 ( 0.000 0.114 0.112) 0.160 100.146 ( 0.000 -0.221 0.178) 0.284 100.155 ( 0.000 0.667 -0.665) 0.942 100.157 ( 0.000 0.164 0.066) 0.177 ======================= Grid point 91 (34/120) ======================= q-point: ( 0.07 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 16.727 15.819 16.317) 28.218 1.137 ( 15.771 18.428 21.235) 32.237 1.617 ( 18.406 41.704 15.738) 48.225 2.050 ( 8.760 -11.004 14.512) 20.210 2.161 ( 11.911 -10.041 6.826) 17.008 2.635 ( 4.273 2.367 8.316) 9.644 3.145 ( 3.792 -4.431 -9.289) 10.968 3.180 ( 3.561 5.774 -10.100) 12.167 3.481 ( 1.471 6.683 1.501) 7.006 3.562 ( 3.893 -0.070 -7.866) 8.777 3.908 ( 0.171 1.301 6.653) 6.781 3.975 ( -2.537 11.531 -0.033) 11.807 4.386 ( 4.609 3.336 6.315) 8.500 4.498 ( 3.810 -2.131 -5.302) 6.868 4.527 ( -0.068 3.396 4.661) 5.768 4.757 ( 1.634 -5.912 -2.242) 6.530 4.850 ( 5.859 -18.933 -0.710) 19.831 4.988 ( 0.279 3.147 1.675) 3.576 5.320 ( 11.689 3.868 -5.103) 13.328 5.562 ( 5.268 -2.164 1.054) 5.792 5.679 ( 0.032 -7.940 -1.702) 8.121 5.698 ( -2.424 -11.914 0.222) 12.160 6.073 ( 3.078 -4.586 -4.200) 6.939 6.096 ( 1.292 4.493 -5.102) 6.920 6.171 ( 1.694 1.608 -0.026) 2.336 6.286 ( 4.245 -0.469 0.611) 4.314 6.355 ( 2.991 -7.078 8.493) 11.453 6.442 ( 0.574 -1.037 7.787) 7.876 7.134 ( -2.940 19.000 -7.362) 20.587 7.442 ( -5.766 1.449 -6.631) 8.906 7.517 ( -3.179 -3.495 0.598) 4.762 7.883 ( -9.055 9.315 -16.811) 21.246 12.403 ( 6.338 1.287 14.534) 15.908 13.010 ( -15.203 -32.746 52.396) 63.630 13.201 ( 6.544 5.307 4.564) 9.582 13.670 ( 6.438 -5.872 5.384) 10.243 17.322 ( -4.437 2.568 0.351) 5.139 17.413 ( -2.518 1.213 -0.430) 2.828 17.469 ( -1.368 -1.847 -2.315) 3.262 17.503 ( -4.041 -0.366 -0.951) 4.167 18.239 ( -0.807 -0.151 0.628) 1.034 18.253 ( -0.914 -0.214 0.170) 0.953 18.343 ( 3.444 0.071 -0.630) 3.502 18.353 ( 2.990 -0.347 -0.342) 3.029 31.765 ( -0.511 6.628 0.435) 6.662 32.285 ( -16.647 29.071 -13.847) 36.249 32.352 ( -3.505 -8.416 0.833) 9.154 32.675 ( -5.198 2.417 -2.247) 6.157 36.883 ( -0.508 -0.154 0.350) 0.636 36.946 ( -0.373 -1.640 -0.107) 1.685 37.026 ( -2.004 1.688 -1.715) 3.132 37.034 ( -1.299 1.418 -1.058) 2.195 64.480 ( -2.058 4.627 2.398) 5.603 64.845 ( -3.710 -3.821 5.616) 7.740 65.807 ( -28.006 50.613 -25.090) 63.052 66.858 ( -8.751 -3.757 -13.737) 16.716 100.144 ( 0.975 0.055 0.186) 0.994 100.147 ( 1.057 0.072 0.156) 1.071 100.177 ( 2.239 0.383 -0.067) 2.273 100.268 ( 7.156 -3.885 -3.275) 8.777 ======================= Grid point 92 (35/120) ======================= q-point: ( 0.13 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 19.288 10.790 15.269) 26.862 1.497 ( 19.693 21.043 9.933) 30.484 2.059 ( 23.168 17.381 9.002) 30.330 2.294 ( 16.219 -7.847 15.072) 23.491 2.457 ( 17.802 -5.369 6.174) 19.592 2.754 ( 7.976 4.117 7.732) 11.847 3.258 ( 5.985 2.243 -9.249) 11.242 3.272 ( 7.031 2.148 -8.719) 11.405 3.524 ( 2.407 6.120 -0.984) 6.650 3.647 ( 3.947 0.004 -8.584) 9.448 3.860 ( -4.192 4.635 4.913) 7.949 3.968 ( 2.404 9.749 4.698) 11.086 4.504 ( 4.602 0.844 3.682) 5.954 4.542 ( 4.563 6.345 5.242) 9.411 4.598 ( 6.177 -3.443 -5.474) 8.943 4.849 ( 7.614 -2.256 -1.961) 8.179 4.991 ( 8.193 -21.865 -0.115) 23.350 5.057 ( 6.145 -1.440 2.011) 6.625 5.510 ( 6.764 -1.173 -2.977) 7.482 5.625 ( 1.070 -0.887 0.615) 1.519 5.692 ( 0.735 -9.225 -2.755) 9.656 5.755 ( 9.824 -1.106 -1.549) 10.007 6.102 ( -0.043 8.411 -1.931) 8.630 6.109 ( -0.671 -3.069 0.277) 3.154 6.203 ( 0.881 -2.945 0.772) 3.169 6.317 ( 0.855 -3.432 1.337) 3.781 6.415 ( 2.174 -1.681 6.027) 6.624 6.508 ( 4.328 -3.447 0.660) 5.572 7.048 ( -5.425 20.176 -8.678) 22.623 7.314 ( -6.423 -2.190 -2.705) 7.305 7.437 ( -4.346 -1.908 -0.796) 4.813 7.740 ( -4.684 5.588 -11.828) 13.895 12.582 ( 11.865 0.834 13.409) 17.924 12.856 ( -0.108 -9.233 33.987) 35.219 13.383 ( 11.937 5.529 4.189) 13.806 13.851 ( 11.932 -5.647 4.416) 13.920 17.229 ( -5.277 1.918 0.486) 5.636 17.325 ( -6.418 1.335 -0.523) 6.576 17.377 ( -7.703 -0.289 -0.521) 7.726 17.426 ( -3.810 -3.805 -1.548) 5.602 18.228 ( -0.181 0.019 0.994) 1.011 18.246 ( 0.267 -0.284 0.438) 0.587 18.422 ( 4.582 0.080 -0.933) 4.676 18.430 ( 4.679 -0.104 -0.968) 4.780 31.751 ( -0.909 5.761 0.375) 5.845 32.022 ( -9.948 20.942 -3.994) 23.526 32.256 ( -6.260 -6.977 0.877) 9.415 32.538 ( -8.433 0.355 -1.778) 8.626 36.871 ( -0.644 0.222 0.387) 0.783 36.934 ( -0.880 -1.670 0.027) 1.887 36.997 ( -0.936 0.304 -0.587) 1.146 37.005 ( -1.595 0.534 -0.629) 1.796 64.428 ( -3.016 3.565 2.431) 5.265 64.745 ( -6.350 -3.124 5.388) 8.895 65.359 ( -17.957 35.948 -8.637) 41.101 66.593 ( -17.527 -6.562 -11.382) 21.905 100.173 ( 2.031 0.148 0.336) 2.064 100.180 ( 2.238 0.008 0.122) 2.241 100.231 ( 3.187 0.635 -0.221) 3.258 100.375 ( 3.820 -4.234 -3.181) 6.530 ======================= Grid point 93 (36/120) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 20.458 8.023 10.299) 24.269 1.874 ( 18.596 18.582 6.773) 27.147 2.405 ( 12.641 -2.126 2.220) 13.009 2.623 ( 15.038 -8.462 12.955) 21.577 2.829 ( 17.495 6.412 4.788) 19.238 2.964 ( 15.993 5.717 9.156) 19.295 3.358 ( 4.249 6.627 -4.886) 9.265 3.435 ( 8.488 0.326 -10.429) 13.450 3.542 ( -1.325 8.493 -0.714) 8.625 3.651 ( -2.012 3.941 -7.853) 9.014 3.876 ( 6.289 -1.348 2.813) 7.020 4.049 ( 5.749 7.131 7.258) 11.687 4.532 ( 0.704 6.376 4.033) 7.577 4.693 ( 6.637 1.601 -3.122) 7.508 4.753 ( 10.484 -3.590 -1.354) 11.164 5.023 ( 9.369 -0.815 -2.680) 9.779 5.120 ( 4.964 -19.064 -2.753) 19.891 5.249 ( 13.195 -6.945 4.883) 15.691 5.534 ( -1.746 -2.264 0.928) 3.006 5.704 ( 3.007 -2.293 -1.476) 4.059 5.725 ( 3.763 -2.069 -3.505) 5.543 5.943 ( 4.755 1.734 -1.046) 5.168 6.067 ( -0.546 -1.578 2.410) 2.932 6.114 ( 1.481 6.237 -0.639) 6.442 6.196 ( -0.467 -4.533 4.574) 6.457 6.332 ( 0.524 -2.766 -1.076) 3.014 6.437 ( -1.606 -0.108 2.652) 3.102 6.551 ( 1.869 1.417 -1.100) 2.591 6.978 ( -0.498 10.747 -5.970) 12.304 7.202 ( -5.409 -4.690 -1.283) 7.273 7.388 ( 0.202 2.335 -2.670) 3.553 7.695 ( -0.568 1.680 -9.768) 9.927 12.851 ( 15.371 0.264 12.033) 19.523 12.966 ( 10.055 -2.873 22.174) 24.516 13.650 ( 15.186 5.864 3.746) 16.704 14.121 ( 15.511 -5.430 3.331) 16.768 17.115 ( -6.555 1.381 0.435) 6.713 17.171 ( -9.190 0.490 -0.404) 9.212 17.207 ( -9.329 0.263 -0.302) 9.338 17.341 ( -4.914 -3.690 -1.291) 6.279 18.234 ( 0.742 0.228 1.147) 1.385 18.262 ( 1.311 -0.403 0.740) 1.559 18.519 ( 5.388 0.122 -1.286) 5.541 18.530 ( 5.591 -0.122 -1.313) 5.745 31.730 ( -1.208 4.512 0.303) 4.681 31.879 ( -5.360 12.613 -1.340) 13.771 32.117 ( -7.900 -4.833 0.888) 9.304 32.364 ( -9.051 -1.586 -1.338) 9.286 36.861 ( -0.368 0.166 0.426) 0.587 36.914 ( -1.147 -2.019 0.166) 2.328 36.977 ( -1.217 0.085 -0.425) 1.292 36.986 ( -0.276 0.281 -0.392) 0.555 64.370 ( -2.818 2.255 2.195) 4.224 64.610 ( -7.212 -2.133 4.947) 9.002 65.071 ( -12.644 23.240 -4.244) 26.795 66.211 ( -21.171 -8.172 -8.931) 24.388 100.219 ( 2.646 0.225 0.394) 2.685 100.230 ( 2.788 0.016 0.118) 2.790 100.296 ( 3.316 0.714 -0.317) 3.407 100.427 ( 1.768 -2.836 -2.044) 3.917 ======================= Grid point 94 (37/120) ======================= q-point: ( 0.27 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 18.509 6.439 4.662) 20.144 2.197 ( 14.151 14.905 5.968) 21.401 2.564 ( 4.576 -1.633 -1.367) 5.048 2.879 ( 12.008 -10.218 10.026) 18.685 3.078 ( 11.105 5.781 3.757) 13.071 3.324 ( -1.587 8.246 -0.913) 8.447 3.364 ( 14.380 6.859 4.319) 16.507 3.547 ( 5.415 10.565 4.701) 12.769 3.603 ( 6.172 0.141 -9.724) 11.518 3.655 ( 2.710 -0.202 -8.732) 9.146 4.034 ( 9.004 -3.509 1.588) 9.794 4.175 ( 6.742 4.006 9.106) 12.017 4.538 ( -0.147 9.948 4.010) 10.727 4.779 ( 2.167 -2.455 -5.266) 6.201 4.948 ( 7.330 2.480 -4.870) 9.143 5.163 ( 3.273 -3.736 -5.204) 7.194 5.230 ( 7.933 -13.422 2.070) 15.728 5.484 ( 2.453 -3.569 3.639) 5.657 5.544 ( 10.918 -1.874 1.455) 11.172 5.727 ( -2.890 2.063 0.147) 3.553 5.758 ( 1.319 -5.995 -3.281) 6.960 5.918 ( -1.830 1.082 4.909) 5.349 6.073 ( -1.659 1.821 -2.190) 3.296 6.091 ( -2.118 -2.732 1.984) 3.985 6.219 ( -3.873 -5.100 -0.225) 6.408 6.332 ( 1.126 0.214 -1.729) 2.074 6.484 ( 10.808 8.844 2.803) 14.244 6.626 ( 5.424 0.175 0.546) 5.454 7.015 ( 3.444 -3.350 -4.052) 6.286 7.116 ( -2.723 -4.268 -1.565) 5.299 7.442 ( 4.579 5.983 -3.449) 8.286 7.696 ( 0.172 -0.011 -7.848) 7.850 13.159 ( 15.878 -0.274 10.774) 19.190 13.203 ( 13.460 -1.149 16.592) 21.396 13.955 ( 15.712 6.294 3.309) 17.246 14.435 ( 16.410 -5.317 2.426) 17.420 16.965 ( -9.473 1.919 0.019) 9.665 16.989 ( -8.700 0.616 -0.277) 8.727 17.032 ( -8.227 -0.092 0.197) 8.230 17.241 ( -5.259 -3.876 -1.287) 6.659 18.256 ( 1.437 0.389 1.302) 1.977 18.295 ( 2.025 -0.543 1.060) 2.349 18.627 ( 5.653 0.182 -1.633) 5.887 18.643 ( 5.879 -0.163 -1.575) 6.089 31.704 ( -1.503 3.015 0.269) 3.380 31.799 ( -3.154 7.543 -0.550) 8.194 31.959 ( -8.080 -2.709 0.922) 8.572 32.199 ( -7.770 -2.550 -1.119) 8.253 36.856 ( -0.109 -0.545 0.429) 0.702 36.892 ( -1.039 -2.346 0.285) 2.581 36.960 ( -0.509 0.693 -0.366) 0.934 36.984 ( -0.046 0.720 -0.421) 0.835 64.326 ( -1.511 0.957 1.747) 2.500 64.475 ( -6.427 -1.079 4.267) 7.790 64.848 ( -10.554 15.559 -2.628) 18.983 65.794 ( -21.415 -8.226 -6.847) 23.940 100.272 ( 2.694 0.301 0.376) 2.737 100.285 ( 2.877 0.021 0.096) 2.879 100.357 ( 2.889 0.549 -0.332) 2.959 100.451 ( 0.810 -1.746 -1.242) 2.291 ======================= Grid point 95 (38/120) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.306 9.585 0.279) 9.594 2.492 ( 16.130 4.799 1.873) 16.933 2.665 ( 7.230 6.784 0.326) 9.919 3.078 ( 7.696 -5.327 4.936) 10.581 3.189 ( -6.208 7.346 -3.368) 10.190 3.300 ( 11.553 0.474 4.033) 12.246 3.600 ( 4.308 -1.370 -4.259) 6.211 3.674 ( 6.308 7.336 2.484) 9.988 3.729 ( 9.921 6.248 3.200) 12.153 3.765 ( 6.839 -4.332 -5.024) 9.528 4.203 ( 8.071 -4.000 1.210) 9.089 4.295 ( 5.232 2.721 9.790) 11.428 4.524 ( -1.148 11.950 4.142) 12.700 4.770 ( -3.049 -0.440 -4.115) 5.140 4.976 ( -4.064 5.643 -6.640) 9.615 5.192 ( 0.551 -7.438 -4.295) 8.607 5.350 ( 2.918 -1.890 4.659) 5.813 5.531 ( 4.160 1.458 1.038) 4.529 5.582 ( -7.763 3.909 0.355) 8.699 5.767 ( 5.172 -4.149 -1.074) 6.717 5.831 ( 6.552 -7.108 1.397) 9.767 5.922 ( 1.560 -3.127 -0.268) 3.505 6.007 ( -3.919 -4.982 3.943) 7.465 6.080 ( 2.211 -1.301 -1.974) 3.237 6.160 ( -0.082 2.111 1.408) 2.539 6.329 ( -1.203 -0.662 0.811) 1.595 6.736 ( 5.075 -1.038 -1.173) 5.312 6.752 ( 13.905 6.958 -1.756) 15.648 7.101 ( 5.457 -5.875 -1.594) 8.175 7.116 ( 2.831 -6.556 -1.502) 7.297 7.534 ( 4.273 6.221 -3.420) 8.285 7.690 ( -0.897 -0.595 -5.706) 5.806 13.448 ( 13.387 -0.683 9.850) 16.634 13.459 ( 12.324 -0.629 14.128) 18.758 14.242 ( 13.494 6.738 2.904) 15.359 14.739 ( 14.347 -5.326 1.755) 15.404 16.776 ( -9.168 2.390 -0.114) 9.475 16.826 ( -8.024 2.311 -0.525) 8.367 16.896 ( -5.983 -1.278 0.760) 6.165 17.142 ( -4.699 -4.390 -1.305) 6.562 18.287 ( 1.685 0.518 1.479) 2.301 18.337 ( 2.225 -0.690 1.370) 2.702 18.733 ( 5.110 0.251 -1.933) 5.469 18.753 ( 5.320 -0.197 -1.766) 5.609 31.673 ( -1.613 1.350 0.316) 2.127 31.748 ( -2.390 4.181 -0.051) 4.816 31.815 ( -6.215 -0.429 0.758) 6.276 32.068 ( -5.695 -2.542 -1.109) 6.335 36.855 ( -0.073 -1.579 0.416) 1.634 36.874 ( -0.777 -2.560 0.386) 2.703 36.957 ( 0.179 1.645 -0.434) 1.710 36.984 ( 0.030 1.366 -0.482) 1.449 64.315 ( 0.142 -0.269 1.340) 1.374 64.371 ( -3.888 -0.028 3.187) 5.027 64.660 ( -8.706 10.773 -1.611) 13.945 65.393 ( -19.576 -7.167 -5.090) 21.459 100.321 ( 2.265 0.382 0.287) 2.314 100.339 ( 2.611 -0.008 0.058) 2.612 100.406 ( 2.169 0.257 -0.283) 2.202 100.460 ( 0.211 -1.013 -0.755) 1.281 ======================= Grid point 96 (39/120) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -3.138 7.246 -1.758) 8.090 2.702 ( 4.669 12.646 -5.831) 14.688 2.859 ( 11.995 7.069 2.979) 14.239 3.060 ( -4.848 -0.725 -3.193) 5.850 3.206 ( 3.095 -1.635 2.854) 4.517 3.502 ( 8.970 -3.812 -2.206) 9.993 3.696 ( 6.836 0.143 1.506) 7.002 3.783 ( 4.898 5.419 2.103) 7.601 3.840 ( 2.836 -5.975 -2.850) 7.202 3.900 ( 4.171 1.764 5.105) 6.824 4.334 ( 5.055 -3.542 0.287) 6.179 4.363 ( 1.564 9.183 5.926) 11.040 4.516 ( 1.019 5.763 7.458) 9.480 4.681 ( -5.076 5.522 0.818) 7.545 4.859 ( -6.424 4.844 -8.021) 11.360 5.188 ( -0.767 -5.542 2.343) 6.066 5.384 ( 1.090 2.416 -1.244) 2.928 5.410 ( -7.310 4.253 1.662) 8.619 5.616 ( 1.522 0.224 -1.218) 1.963 5.799 ( -2.665 -3.475 -1.015) 4.495 5.826 ( 0.087 -2.904 0.185) 2.911 5.930 ( -3.113 -4.961 2.470) 6.356 6.088 ( 10.513 -5.988 0.660) 12.117 6.174 ( 2.587 1.121 0.234) 2.830 6.212 ( 6.618 -1.764 0.678) 6.882 6.301 ( -1.218 -0.210 1.526) 1.964 6.807 ( 2.355 -1.019 -3.430) 4.283 6.963 ( 6.907 -0.272 -6.068) 9.198 7.214 ( 6.160 0.055 0.667) 6.196 7.230 ( 7.990 -7.901 -0.007) 11.237 7.594 ( 1.786 4.180 -3.036) 5.466 7.658 ( -2.478 -0.934 -3.459) 4.356 13.662 ( 8.381 -0.519 12.961) 15.443 13.666 ( 8.735 -0.883 9.390) 12.855 14.464 ( 9.034 7.092 2.559) 11.767 14.975 ( 9.702 -5.394 1.270) 11.174 16.623 ( -6.347 3.343 -0.070) 7.174 16.691 ( -5.580 2.945 -0.656) 6.343 16.799 ( -3.914 -1.840 1.055) 4.452 17.064 ( -3.255 -4.921 -1.294) 6.040 18.317 ( 1.362 0.615 1.644) 2.221 18.377 ( 1.761 -0.822 1.627) 2.535 18.819 ( 3.609 0.315 -2.147) 4.211 18.843 ( 3.763 -0.219 -1.877) 4.211 31.645 ( -1.230 -0.067 0.421) 1.301 31.682 ( -3.970 -0.066 1.118) 4.125 31.745 ( -1.422 3.564 -0.278) 3.848 31.979 ( -3.428 -2.158 -1.191) 4.222 36.853 ( -0.068 -2.310 0.404) 2.346 36.862 ( -0.482 -2.698 0.458) 2.779 36.964 ( 0.428 2.306 -0.545) 2.408 36.984 ( 0.041 1.932 -0.535) 2.005 64.291 ( -1.874 1.388 2.233) 3.229 64.368 ( 2.352 -1.582 0.667) 2.912 64.521 ( -4.858 7.282 -0.828) 8.793 65.042 ( -16.347 -5.554 -3.583) 17.632 100.358 ( 1.492 0.452 0.166) 1.568 100.385 ( 2.107 -0.103 0.021) 2.109 100.440 ( 1.305 -0.031 -0.209) 1.322 100.459 ( -0.293 -0.489 -0.470) 0.739 ======================= Grid point 97 (40/120) ======================= q-point: ( 0.47 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -0.810 6.152 -3.139) 6.954 2.747 ( 1.053 23.700 -7.589) 24.908 2.943 ( -2.848 -6.787 -4.940) 8.865 3.091 ( 7.232 0.838 4.341) 8.476 3.214 ( -2.029 0.815 0.272) 2.203 3.669 ( 8.195 -6.600 -3.706) 11.156 3.790 ( -1.045 -5.260 1.862) 5.677 3.843 ( 0.310 6.234 2.378) 6.679 3.881 ( 3.903 -1.896 2.001) 4.779 3.926 ( -0.475 1.313 3.502) 3.770 4.373 ( 0.190 17.244 2.719) 17.458 4.394 ( 1.115 -6.621 0.279) 6.720 4.550 ( 1.434 -1.547 9.831) 10.055 4.607 ( -2.056 9.440 4.801) 10.789 4.762 ( -2.902 3.339 -9.159) 10.171 5.176 ( -0.246 -2.060 6.377) 6.706 5.288 ( -3.659 5.907 3.060) 7.592 5.429 ( 2.120 0.503 -7.857) 8.153 5.580 ( -3.230 -2.148 -2.911) 4.850 5.773 ( 0.098 -1.239 3.366) 3.588 5.846 ( 0.923 -0.890 0.006) 1.282 5.885 ( -1.453 -4.844 2.312) 5.560 6.205 ( 1.126 1.119 1.026) 1.891 6.235 ( 3.717 -4.412 0.805) 5.825 6.263 ( -0.659 -1.551 0.656) 1.809 6.345 ( 3.750 -2.430 -0.943) 4.567 6.834 ( 0.650 -0.317 -4.358) 4.417 7.034 ( 1.290 -6.579 -7.171) 9.817 7.301 ( 2.449 1.039 0.818) 2.783 7.394 ( 7.080 -2.891 -0.394) 7.658 7.585 ( -3.489 -1.053 -1.922) 4.120 7.619 ( -0.058 1.672 -2.022) 2.625 13.773 ( 2.924 -0.437 12.900) 13.235 13.781 ( 3.032 -1.033 8.784) 9.350 14.584 ( 3.167 7.284 2.349) 8.283 15.105 ( 3.413 -5.449 0.986) 6.505 16.538 ( -2.269 3.972 -0.029) 4.574 16.616 ( -1.985 3.227 -0.722) 3.857 16.747 ( -1.371 -2.123 1.249) 2.819 17.020 ( -1.164 -5.245 -1.273) 5.522 18.336 ( 0.524 0.668 1.746) 1.942 18.402 ( 0.675 -0.904 1.776) 2.104 18.868 ( 1.308 0.355 -2.256) 2.632 18.894 ( 1.365 -0.229 -1.924) 2.369 31.623 ( -1.213 -0.167 1.211) 1.723 31.631 ( -0.759 -0.834 0.557) 1.258 31.730 ( -0.318 3.641 -0.383) 3.675 31.935 ( -1.141 -1.871 -1.260) 2.528 36.853 ( -0.003 -2.633 0.384) 2.661 36.856 ( -0.186 -2.755 0.510) 2.808 36.970 ( 0.206 2.567 -0.622) 2.649 36.985 ( 0.015 2.258 -0.564) 2.328 64.272 ( -0.209 3.174 1.397) 3.474 64.373 ( -1.482 0.911 0.763) 1.900 64.533 ( 5.428 0.597 -1.076) 5.566 64.770 ( -10.907 -3.825 -2.313) 11.788 100.378 ( 0.520 0.494 0.078) 0.721 100.419 ( 1.337 -0.375 0.036) 1.389 100.448 ( -0.659 -0.082 -0.378) 0.764 100.458 ( 0.382 -0.132 -0.150) 0.431 ======================= Grid point 105 (41/120) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 23.451 9.627) 25.350 1.290 ( 0.000 16.994 25.278) 30.459 1.670 ( 0.000 -17.408 19.717) 26.302 1.673 ( 0.000 -19.120 7.785) 20.644 2.562 ( 0.000 52.617 3.825) 52.756 2.712 ( 0.000 9.517 4.582) 10.562 2.940 ( 0.000 -9.387 0.414) 9.396 3.224 ( 0.000 -1.373 -11.552) 11.633 3.472 ( 0.000 -3.591 -11.008) 11.579 3.551 ( 0.000 -7.908 3.869) 8.804 3.890 ( 0.000 -2.406 1.975) 3.113 3.988 ( 0.000 -26.891 -0.359) 26.894 4.214 ( 0.000 10.900 -1.664) 11.026 4.396 ( 0.000 -7.500 -3.457) 8.258 4.600 ( 0.000 18.907 5.544) 19.703 4.665 ( 0.000 6.848 5.083) 8.528 4.807 ( 0.000 -0.303 3.355) 3.369 5.013 ( 0.000 -13.900 3.368) 14.302 5.332 ( 0.000 10.020 -3.328) 10.559 5.461 ( 0.000 1.292 -0.181) 1.305 5.502 ( 0.000 -7.645 -5.035) 9.154 5.536 ( 0.000 -5.783 -0.106) 5.784 5.930 ( 0.000 -3.865 -3.160) 4.992 5.952 ( 0.000 -5.708 -4.620) 7.343 6.231 ( 0.000 2.675 2.953) 3.984 6.273 ( 0.000 -1.831 4.993) 5.318 6.341 ( 0.000 5.556 6.296) 8.397 6.418 ( 0.000 -2.325 6.690) 7.082 7.393 ( 0.000 4.928 -0.741) 4.984 7.468 ( 0.000 -4.045 0.252) 4.053 7.686 ( 0.000 15.974 -15.615) 22.338 7.960 ( 0.000 -10.082 -18.939) 21.456 12.397 ( 0.000 4.896 19.098) 19.716 12.577 ( 0.000 -16.135 32.031) 35.866 13.276 ( 0.000 8.783 4.715) 9.969 13.455 ( 0.000 -9.225 5.090) 10.536 17.401 ( 0.000 0.385 0.243) 0.455 17.409 ( 0.000 -0.386 -0.143) 0.412 17.519 ( 0.000 1.235 -1.351) 1.830 17.536 ( 0.000 -0.595 -0.834) 1.024 18.256 ( 0.000 0.433 0.042) 0.435 18.265 ( 0.000 -0.533 0.096) 0.542 18.303 ( 0.000 0.343 -0.506) 0.612 18.310 ( 0.000 -0.429 -0.254) 0.498 31.951 ( 0.000 11.245 0.994) 11.289 32.179 ( 0.000 -11.864 1.213) 11.926 32.756 ( 0.000 4.150 -12.301) 12.983 32.774 ( 0.000 1.275 -5.466) 5.613 36.889 ( 0.000 0.665 0.192) 0.692 36.914 ( 0.000 -1.767 -0.048) 1.768 37.073 ( 0.000 1.135 -2.004) 2.303 37.083 ( 0.000 0.229 -3.212) 3.220 64.628 ( 0.000 7.616 3.537) 8.398 64.773 ( 0.000 -6.983 4.846) 8.500 66.724 ( 0.000 12.848 -27.975) 30.784 66.872 ( 0.000 -4.346 -16.636) 17.195 100.138 ( 0.000 0.198 0.141) 0.243 100.142 ( 0.000 -0.237 0.169) 0.291 100.160 ( 0.000 0.112 -0.056) 0.125 100.161 ( 0.000 0.061 -0.284) 0.291 ======================= Grid point 106 (42/120) ======================= q-point: ( 0.07 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 10.653 19.825 14.483) 26.763 1.457 ( 16.113 16.029 16.037) 27.817 1.734 ( 7.940 -16.983 14.760) 23.860 1.828 ( 13.259 -16.872 10.647) 23.955 2.650 ( 9.002 48.932 4.140) 49.926 2.766 ( 5.395 10.168 4.251) 12.270 2.993 ( 5.312 -9.284 -0.402) 10.704 3.266 ( 3.982 -1.019 -10.974) 11.719 3.501 ( 2.945 -3.328 -10.095) 11.030 3.570 ( 1.932 -7.081 3.985) 8.352 3.904 ( 1.002 -1.713 1.526) 2.504 4.028 ( 3.974 -26.475 -0.828) 26.785 4.217 ( 0.513 12.404 -1.189) 12.472 4.427 ( 3.165 -8.831 -2.920) 9.825 4.641 ( 4.028 17.285 4.853) 18.400 4.682 ( 1.929 7.908 5.422) 9.780 4.832 ( 2.391 -1.519 3.346) 4.384 5.010 ( 0.408 -9.530 2.641) 9.897 5.374 ( 4.054 4.863 -2.944) 6.982 5.499 ( 0.277 -5.704 -4.070) 7.013 5.523 ( 4.447 -2.543 -0.210) 5.127 5.562 ( 4.054 -3.313 -1.578) 5.468 5.987 ( 5.143 -2.002 -4.539) 7.146 6.039 ( 6.952 -5.703 -5.964) 10.790 6.232 ( 0.006 2.354 3.249) 4.012 6.266 ( -0.604 -1.794 5.968) 6.261 6.353 ( 1.687 4.129 6.084) 7.544 6.416 ( 0.036 -2.082 6.897) 7.205 7.369 ( -2.689 4.266 -1.140) 5.170 7.439 ( -3.324 -3.897 -0.949) 5.210 7.619 ( -6.040 16.089 -13.840) 22.066 7.878 ( -7.365 -8.505 -16.598) 20.052 12.452 ( 5.657 4.209 18.218) 19.535 12.597 ( 2.632 -12.255 28.933) 31.532 13.341 ( 6.661 8.807 4.530) 11.935 13.520 ( 6.618 -9.151 4.816) 12.278 17.363 ( -3.274 1.929 0.177) 3.804 17.401 ( -1.479 -1.930 -0.206) 2.441 17.470 ( -4.746 1.235 -1.004) 5.006 17.491 ( -4.507 -0.869 -0.773) 4.654 18.241 ( -0.882 0.251 0.350) 0.982 18.247 ( -0.921 -0.351 0.233) 1.013 18.345 ( 3.405 0.134 -0.646) 3.468 18.349 ( 3.313 -0.196 -0.597) 3.372 31.937 ( -1.331 10.739 0.944) 10.863 32.155 ( -2.395 -11.300 1.164) 11.609 32.622 ( -12.173 8.435 -9.407) 17.545 32.697 ( -7.530 -0.599 -4.756) 8.926 36.887 ( -0.189 0.759 0.174) 0.801 36.912 ( -0.191 -1.698 -0.038) 1.709 37.049 ( -2.367 0.855 -1.830) 3.112 37.055 ( -2.310 0.348 -2.021) 3.089 64.600 ( -2.714 7.315 3.557) 8.575 64.740 ( -3.274 -6.737 4.812) 8.903 66.470 ( -22.285 21.047 -21.088) 37.206 66.740 ( -13.500 -8.991 -15.621) 22.519 100.145 ( 1.013 0.095 0.204) 1.038 100.147 ( 1.001 -0.038 0.217) 1.025 100.189 ( 2.757 0.884 -0.263) 2.907 100.214 ( 4.243 -1.833 -0.809) 4.692 ======================= Grid point 107 (43/120) ======================= q-point: ( 0.13 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 15.845 16.403 13.582) 26.544 1.823 ( 19.608 11.085 9.020) 24.264 1.948 ( 13.249 -12.679 12.221) 22.038 2.135 ( 16.915 -14.020 8.326) 23.495 2.902 ( 16.266 37.947 4.334) 41.513 2.909 ( 8.906 11.733 3.385) 15.114 3.135 ( 8.900 -9.076 -1.916) 12.855 3.365 ( 5.943 0.551 -9.368) 11.108 3.581 ( 5.171 -2.560 -7.836) 9.731 3.622 ( 3.196 -3.774 3.555) 6.091 3.910 ( -0.599 1.599 1.181) 2.076 4.113 ( 3.260 -23.777 0.226) 24.001 4.263 ( 5.864 11.759 -1.579) 13.234 4.520 ( 6.276 -10.708 -3.559) 12.912 4.731 ( 4.352 7.670 6.602) 11.017 4.761 ( 6.784 16.181 4.116) 18.022 4.894 ( 3.954 -5.034 3.256) 7.182 5.052 ( 4.040 -6.554 1.298) 7.808 5.456 ( 3.474 -0.116 -4.752) 5.887 5.525 ( 2.350 -6.088 -5.403) 8.472 5.612 ( 6.270 1.077 1.655) 6.573 5.708 ( 9.481 -5.298 -0.879) 10.896 6.069 ( 1.201 0.790 -2.771) 3.121 6.125 ( 0.490 -3.650 -2.429) 4.412 6.234 ( 0.610 3.609 0.949) 3.781 6.269 ( 1.416 -1.122 2.361) 2.973 6.418 ( 3.463 0.568 5.709) 6.701 6.444 ( 4.574 -2.534 5.950) 7.921 7.272 ( -7.614 2.378 -2.771) 8.445 7.309 ( -10.162 -1.053 -5.666) 11.682 7.522 ( -2.339 13.192 -7.421) 15.315 7.736 ( -5.816 -6.469 -11.889) 14.732 12.615 ( 10.935 2.752 16.170) 19.714 12.699 ( 8.111 -6.296 22.757) 24.966 13.527 ( 12.175 8.901 4.062) 15.619 13.705 ( 12.162 -8.991 4.135) 15.680 17.278 ( -5.474 3.026 0.133) 6.256 17.342 ( -6.353 -2.601 -0.517) 6.884 17.355 ( -5.140 0.102 -0.476) 5.163 17.371 ( -7.402 -0.848 -0.551) 7.471 18.232 ( 0.003 0.316 0.677) 0.747 18.239 ( 0.145 -0.426 0.515) 0.683 18.424 ( 4.627 0.149 -0.967) 4.729 18.427 ( 4.675 -0.161 -0.985) 4.780 31.901 ( -2.387 9.319 0.816) 9.654 32.089 ( -4.339 -9.685 1.038) 10.664 32.360 ( -13.379 12.418 -4.913) 18.904 32.510 ( -10.956 -3.911 -3.265) 12.082 36.881 ( -0.518 0.875 0.176) 1.032 36.904 ( -0.750 -1.445 0.026) 1.629 37.002 ( -1.928 0.439 -0.940) 2.189 37.010 ( -2.080 -0.182 -0.961) 2.299 64.530 ( -4.299 6.378 3.506) 8.453 64.653 ( -5.433 -5.975 4.659) 9.324 65.996 ( -24.284 27.105 -12.279) 38.408 66.392 ( -20.895 -14.795 -11.876) 28.223 100.177 ( 2.129 0.183 0.301) 2.158 100.179 ( 2.211 -0.098 0.239) 2.226 100.253 ( 3.547 1.672 -0.513) 3.955 100.299 ( 4.110 -3.232 -1.258) 5.378 ======================= Grid point 108 (44/120) ======================= q-point: ( 0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 17.684 13.426 9.271) 24.061 2.181 ( 17.026 2.369 6.539) 18.392 2.219 ( 13.935 -3.007 7.617) 16.163 2.439 ( 13.821 -11.257 7.632) 19.390 3.093 ( 9.520 12.146 2.436) 15.623 3.233 ( 15.978 21.469 2.138) 26.848 3.316 ( 9.254 -6.990 -2.675) 11.902 3.479 ( 5.035 0.990 -7.485) 9.075 3.680 ( 2.615 3.584 2.841) 5.268 3.690 ( 5.594 1.535 -5.772) 8.183 3.892 ( -0.107 3.630 2.605) 4.469 4.147 ( 1.522 -13.224 4.167) 13.948 4.456 ( 12.613 1.264 -4.259) 13.373 4.649 ( 6.235 -4.660 -5.011) 9.258 4.835 ( 6.659 1.473 7.499) 10.136 4.898 ( 5.738 11.154 1.432) 12.625 4.997 ( 7.382 -5.672 4.365) 10.282 5.166 ( 7.809 -7.063 0.389) 10.537 5.512 ( 2.725 0.951 -4.388) 5.252 5.576 ( 2.852 -5.543 -5.362) 8.222 5.759 ( 7.383 3.567 0.963) 8.256 5.891 ( 7.934 -7.571 -1.343) 11.048 6.022 ( -4.638 0.729 3.944) 6.132 6.080 ( -4.185 -4.406 2.756) 6.672 6.247 ( 0.294 4.732 -0.611) 4.780 6.305 ( 1.460 -1.150 -1.984) 2.718 6.493 ( 5.304 4.189 4.647) 8.203 6.558 ( 5.638 -1.564 1.268) 5.987 7.081 ( -10.142 1.446 -5.550) 11.652 7.117 ( -8.660 -3.209 -3.680) 9.941 7.523 ( 1.921 9.655 -5.351) 11.205 7.672 ( -1.057 -4.664 -8.476) 9.732 12.866 ( 14.536 1.397 14.012) 20.238 12.907 ( 12.874 -2.817 17.620) 22.003 13.800 ( 15.551 9.106 3.496) 18.357 13.979 ( 15.654 -8.873 3.339) 18.301 17.153 ( -7.219 2.275 0.122) 7.570 17.178 ( -9.370 -0.095 -0.253) 9.374 17.216 ( -8.247 0.880 -0.450) 8.306 17.262 ( -5.434 -3.867 -0.699) 6.706 18.241 ( 0.940 0.502 0.940) 1.421 18.252 ( 1.143 -0.597 0.807) 1.521 18.523 ( 5.458 0.218 -1.309) 5.617 18.527 ( 5.535 -0.219 -1.317) 5.694 31.847 ( -3.091 7.231 0.669) 7.893 31.991 ( -5.666 -7.113 0.893) 9.137 32.133 ( -9.840 11.276 -2.266) 15.137 32.298 ( -10.392 -5.750 -1.978) 12.040 36.867 ( -0.914 0.519 0.296) 1.092 36.882 ( -1.342 -1.178 0.237) 1.801 36.978 ( -0.714 0.213 -0.549) 0.925 36.985 ( -0.398 -0.389 -0.563) 0.792 64.443 ( -4.384 4.891 3.231) 7.320 64.540 ( -5.969 -4.726 4.293) 8.740 65.564 ( -20.166 24.888 -7.247) 32.842 65.971 ( -21.855 -16.879 -8.516) 28.897 100.225 ( 2.730 0.272 0.346) 2.765 100.229 ( 2.786 -0.137 0.260) 2.802 100.320 ( 3.219 1.835 -0.611) 3.756 100.367 ( 2.831 -2.987 -1.154) 4.274 ======================= Grid point 109 (45/120) ======================= q-point: ( 0.27 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 16.311 10.017 3.783) 19.511 2.448 ( 9.131 -4.550 1.080) 10.259 2.488 ( 14.195 7.647 6.627) 17.432 2.679 ( 11.799 -9.569 9.610) 17.976 3.267 ( 8.248 11.372 1.879) 14.173 3.443 ( 4.827 0.595 -4.404) 6.561 3.476 ( 4.933 1.157 -4.253) 6.615 3.510 ( -0.801 -3.522 -4.761) 5.976 3.753 ( 5.877 10.613 2.335) 12.354 3.805 ( 7.242 13.222 0.520) 15.085 3.955 ( 6.246 -3.006 3.484) 7.758 4.198 ( 3.722 -10.793 6.053) 12.922 4.695 ( 10.532 2.751 -4.327) 11.714 4.739 ( 2.888 6.384 -2.936) 7.597 4.960 ( 1.311 -2.620 -0.128) 2.932 4.979 ( 6.718 -7.359 2.053) 10.174 5.176 ( 10.654 4.405 3.893) 12.168 5.362 ( 11.858 -8.939 1.411) 14.917 5.568 ( 3.069 2.288 -2.317) 4.475 5.636 ( 3.080 -4.662 -3.785) 6.749 5.821 ( -2.974 6.461 -0.143) 7.114 5.916 ( -2.566 0.460 3.129) 4.073 5.973 ( -3.939 -6.436 3.277) 8.227 6.008 ( -0.515 -6.541 -0.955) 6.630 6.242 ( -0.701 4.639 0.253) 4.699 6.315 ( -0.236 -2.453 -0.462) 2.507 6.645 ( 9.768 5.960 0.704) 11.464 6.669 ( 7.048 2.910 1.438) 7.759 6.942 ( -4.065 -2.282 -4.983) 6.824 6.996 ( -2.811 -6.608 -2.213) 7.515 7.579 ( 3.267 6.721 -4.972) 8.976 7.672 ( 0.505 -2.848 -6.741) 7.336 13.160 ( 15.273 0.462 12.343) 19.643 13.178 ( 14.434 -1.269 14.508) 20.505 14.112 ( 16.162 9.437 2.961) 18.948 14.294 ( 16.402 -8.895 2.637) 18.844 16.992 ( -9.428 0.909 -0.096) 9.472 17.005 ( -7.764 -0.104 0.230) 7.768 17.056 ( -8.074 3.627 -0.553) 8.869 17.148 ( -6.114 -5.265 -0.894) 8.118 18.266 ( 1.619 0.714 1.190) 2.132 18.282 ( 1.838 -0.806 1.106) 2.291 18.632 ( 5.736 0.305 -1.631) 5.971 18.638 ( 5.822 -0.294 -1.607) 6.047 31.782 ( -3.555 4.813 0.587) 6.012 31.874 ( -6.145 -4.089 0.829) 7.428 31.978 ( -6.273 8.226 -1.123) 10.405 32.119 ( -7.844 -5.846 -1.265) 9.864 36.848 ( -0.964 -0.145 0.479) 1.086 36.857 ( -1.226 -1.165 0.467) 1.755 36.974 ( 0.283 0.792 -0.543) 1.001 36.987 ( 0.410 -0.366 -0.586) 0.803 64.368 ( -3.143 3.099 2.711) 5.179 64.431 ( -4.981 -3.117 3.680) 6.933 65.209 ( -16.497 19.939 -4.664) 26.296 65.561 ( -20.122 -15.676 -6.090) 26.225 100.279 ( 2.789 0.357 0.340) 2.832 100.284 ( 2.858 -0.165 0.245) 2.873 100.375 ( 2.486 1.435 -0.570) 2.927 100.411 ( 1.757 -2.142 -0.878) 2.906 ======================= Grid point 110 (46/120) ======================= q-point: ( 0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.970 8.941 -1.834) 9.954 2.586 ( 8.136 0.879 -2.242) 8.484 2.743 ( 12.381 5.725 7.740) 15.684 2.914 ( 11.837 -9.785 9.164) 17.884 3.370 ( -6.766 8.723 -6.875) 13.005 3.401 ( 4.638 7.155 -1.843) 8.724 3.524 ( 3.105 -4.446 -3.007) 6.201 3.590 ( 5.066 -8.644 -1.587) 10.144 3.878 ( 6.127 10.222 2.674) 12.214 3.959 ( 7.287 12.617 2.323) 14.754 4.092 ( 7.079 -4.906 3.911) 9.459 4.283 ( 4.691 -9.776 6.573) 12.680 4.755 ( -0.630 12.003 1.141) 12.074 4.841 ( 3.735 9.439 -3.265) 10.663 4.952 ( -1.671 -6.989 0.248) 7.191 5.063 ( 1.935 -8.538 -3.988) 9.620 5.383 ( 8.412 6.938 3.556) 11.469 5.541 ( 4.475 -2.276 -0.402) 5.037 5.637 ( -1.783 -3.126 1.285) 3.822 5.657 ( 1.942 -5.517 -0.932) 5.922 5.750 ( 0.345 3.823 0.153) 3.841 5.866 ( -2.367 -4.589 -0.659) 5.205 5.915 ( 0.202 0.505 3.142) 3.189 6.007 ( 1.904 -5.534 -1.301) 5.995 6.231 ( -0.279 4.288 0.725) 4.358 6.301 ( -1.081 -2.600 1.019) 2.994 6.758 ( 3.628 4.139 -2.005) 5.858 6.899 ( -0.182 -8.445 -4.288) 9.473 6.907 ( 13.352 6.321 0.615) 14.785 7.038 ( 6.799 -5.356 -0.628) 8.678 7.632 ( 1.817 3.580 -4.359) 5.926 7.675 ( -0.547 -1.201 -5.299) 5.461 13.439 ( 13.028 -0.079 11.269) 17.226 13.445 ( 12.653 -0.642 12.864) 18.055 14.409 ( 13.926 9.838 2.495) 17.232 14.596 ( 14.229 -9.056 2.080) 16.994 16.821 ( -7.983 2.173 -0.010) 8.273 16.862 ( -6.749 -1.971 0.382) 7.042 16.908 ( -7.058 5.805 -0.677) 9.164 17.032 ( -5.613 -6.592 -1.004) 8.716 18.301 ( 1.839 0.917 1.432) 2.505 18.320 ( 2.042 -1.021 1.394) 2.675 18.740 ( 5.194 0.398 -1.898) 5.544 18.748 ( 5.274 -0.366 -1.833) 5.596 31.712 ( -3.487 2.526 0.631) 4.352 31.760 ( -5.411 -2.130 0.919) 5.888 31.883 ( -3.631 6.158 -0.781) 7.192 31.995 ( -5.072 -4.999 -1.030) 7.196 36.831 ( -0.712 -0.621 0.612) 1.126 36.836 ( -0.872 -1.188 0.627) 1.601 36.985 ( 0.713 1.140 -0.675) 1.505 36.997 ( 0.585 -0.022 -0.706) 0.917 64.327 ( -1.036 1.282 2.047) 2.628 64.355 ( -2.716 -1.359 2.814) 4.140 64.920 ( -13.316 14.968 -3.070) 20.268 65.196 ( -17.327 -12.881 -4.298) 22.014 100.330 ( 2.383 0.477 0.281) 2.447 100.337 ( 2.525 -0.237 0.198) 2.544 100.416 ( 1.692 0.809 -0.465) 1.932 100.437 ( 0.946 -1.282 -0.627) 1.712 ======================= Grid point 111 (47/120) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -2.378 14.575 -2.424) 14.965 2.710 ( 3.035 -7.974 -4.368) 9.586 2.968 ( 10.370 5.389 6.464) 13.355 3.106 ( 7.123 -7.687 6.491) 12.327 3.258 ( -3.999 14.424 -7.766) 16.863 3.448 ( 1.761 -4.374 -8.699) 9.895 3.637 ( 6.979 -2.286 4.190) 8.455 3.683 ( 4.575 -5.817 -0.177) 7.402 3.974 ( 3.610 10.117 1.927) 10.913 4.066 ( 3.923 10.195 2.736) 11.262 4.203 ( 3.829 -5.370 4.069) 7.750 4.366 ( 3.509 -10.157 7.293) 12.987 4.721 ( -2.570 12.048 4.154) 13.001 4.842 ( -2.649 7.410 -1.859) 8.086 4.904 ( -3.135 1.805 0.448) 3.645 5.085 ( 0.976 -6.615 -5.634) 8.744 5.453 ( 0.462 4.949 0.153) 4.973 5.516 ( -5.887 5.152 1.085) 7.898 5.577 ( -1.302 -3.552 0.212) 3.789 5.675 ( -0.932 -8.327 2.347) 8.702 5.791 ( 2.472 0.483 0.045) 2.519 5.840 ( -0.419 -3.947 -0.189) 3.974 6.025 ( 8.701 0.958 0.796) 8.790 6.109 ( 7.045 -5.847 -1.031) 9.213 6.233 ( 0.523 2.630 1.147) 2.917 6.281 ( -0.819 -1.952 1.587) 2.645 6.808 ( 1.870 1.992 -3.613) 4.530 6.895 ( 0.170 -6.178 -5.066) 7.991 7.166 ( 12.099 1.267 0.143) 12.166 7.204 ( 8.851 -1.442 -0.162) 8.969 7.639 ( -1.510 0.850 -3.826) 4.200 7.647 ( -1.846 -0.173 -3.457) 3.923 13.651 ( 8.584 -0.325 10.859) 13.845 13.653 ( 8.460 -0.428 11.862) 14.576 14.638 ( 9.338 10.195 2.117) 13.986 14.831 ( 9.579 -9.260 1.655) 13.425 16.690 ( -5.338 3.318 0.055) 6.285 16.751 ( -4.506 -2.932 0.530) 5.403 16.789 ( -4.915 7.021 -0.735) 8.602 16.938 ( -3.945 -7.697 -1.038) 8.711 18.334 ( 1.470 1.082 1.638) 2.453 18.357 ( 1.620 -1.209 1.634) 2.599 18.827 ( 3.674 0.480 -2.080) 4.250 18.837 ( 3.733 -0.422 -1.978) 4.246 31.653 ( -2.474 0.825 0.741) 2.712 31.671 ( -3.669 -0.879 1.035) 3.913 31.831 ( -1.844 4.853 -0.736) 5.243 31.919 ( -2.819 -4.016 -1.024) 5.012 36.820 ( -0.405 -0.900 0.691) 1.204 36.823 ( -0.513 -1.169 0.724) 1.468 36.999 ( 0.646 1.224 -0.817) 1.607 37.007 ( 0.467 0.370 -0.820) 1.014 64.318 ( 0.058 1.348 1.819) 2.265 64.342 ( 1.468 -1.187 1.285) 2.284 64.696 ( -9.544 10.313 -1.875) 14.176 64.893 ( -13.737 -9.530 -2.865) 16.963 100.369 ( 1.613 0.657 0.186) 1.752 100.380 ( 1.878 -0.436 0.145) 1.933 100.441 ( 0.919 0.210 -0.353) 1.007 100.449 ( 0.319 -0.537 -0.444) 0.766 ======================= Grid point 112 (48/120) ======================= q-point: ( 0.47 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.197 15.716 -2.814) 16.011 2.721 ( -0.616 -12.546 -4.032) 13.192 3.123 ( 4.776 2.722 5.304) 7.639 3.180 ( 1.637 1.750 -0.174) 2.403 3.217 ( -1.276 13.827 -4.797) 14.691 3.491 ( 1.956 -11.130 -9.263) 14.612 3.733 ( 2.277 -0.926 3.173) 4.014 3.762 ( 2.809 -4.533 1.453) 5.527 4.019 ( 1.077 10.333 1.236) 10.462 4.128 ( 2.595 12.725 6.647) 14.589 4.232 ( -0.500 -8.147 2.042) 8.414 4.412 ( 1.192 -11.236 8.664) 14.239 4.673 ( -1.765 9.855 6.639) 12.013 4.783 ( -2.369 -1.285 0.316) 2.713 4.857 ( -1.160 14.922 -3.769) 15.434 5.101 ( 0.480 -7.601 -4.859) 9.034 5.435 ( -1.944 7.786 1.625) 8.188 5.455 ( -0.249 2.287 -1.950) 3.016 5.535 ( -1.644 -0.943 0.001) 1.895 5.660 ( -0.505 -9.665 4.317) 10.597 5.827 ( 0.999 0.133 0.569) 1.157 5.840 ( 0.133 -1.090 -0.220) 1.120 6.157 ( 3.766 -0.677 0.176) 3.831 6.209 ( 2.350 -3.622 -1.515) 4.576 6.246 ( 0.315 1.075 1.583) 1.939 6.281 ( 1.013 -2.916 1.419) 3.398 6.833 ( 0.723 0.972 -4.274) 4.442 6.899 ( 0.146 -5.954 -5.287) 7.964 7.335 ( 4.432 2.093 -0.433) 4.921 7.364 ( 6.753 -0.959 -1.087) 6.907 7.579 ( -3.424 0.913 -2.454) 4.311 7.614 ( -1.566 -1.865 -2.519) 3.504 13.765 ( 2.960 -0.320 11.703) 12.076 13.765 ( 2.967 -0.464 10.413) 10.838 14.762 ( 3.275 10.400 1.890) 11.066 14.958 ( 3.364 -9.391 1.404) 10.074 16.619 ( -1.876 4.005 0.102) 4.424 16.692 ( -1.563 -3.434 0.647) 3.829 16.723 ( -1.780 7.659 -0.759) 7.899 16.885 ( -1.420 -8.335 -1.034) 8.518 18.354 ( 0.564 1.178 1.760) 2.192 18.379 ( 0.621 -1.321 1.773) 2.296 18.877 ( 1.333 0.529 -2.171) 2.602 18.887 ( 1.354 -0.453 -2.044) 2.494 31.620 ( -0.910 -0.037 0.902) 1.282 31.622 ( -1.259 -0.232 1.021) 1.637 31.808 ( -0.569 4.171 -0.752) 4.276 31.883 ( -0.908 -3.428 -1.060) 3.701 36.815 ( -0.121 -1.042 0.724) 1.274 36.816 ( -0.177 -1.135 0.773) 1.385 37.008 ( 0.255 1.210 -0.904) 1.532 37.014 ( 0.175 0.619 -0.886) 1.095 64.339 ( 1.730 3.206 0.972) 3.770 64.379 ( 1.154 -0.789 0.604) 1.522 64.573 ( -2.012 3.901 -1.146) 4.536 64.673 ( -8.327 -5.789 -1.714) 10.286 100.391 ( 0.577 0.831 0.107) 1.017 100.407 ( 0.811 -0.824 0.120) 1.162 100.449 ( -0.033 0.211 -0.370) 0.427 100.454 ( 0.257 -0.277 -0.260) 0.458 ======================= Grid point 150 (49/120) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 0.000 25.516) 25.516 1.012 ( 0.000 0.000 25.952) 25.952 1.865 ( 0.000 0.000 44.265) 44.265 2.309 ( 0.000 0.000 10.149) 10.149 2.431 ( 0.000 0.000 22.399) 22.399 2.800 ( 0.000 0.000 -17.481) 17.481 2.853 ( 0.000 0.000 -18.733) 18.733 2.865 ( 0.000 0.000 16.166) 16.166 3.325 ( 0.000 0.000 -12.421) 12.421 3.433 ( 0.000 0.000 3.305) 3.305 3.896 ( 0.000 0.000 1.533) 1.533 4.076 ( 0.000 0.000 3.874) 3.874 4.247 ( 0.000 0.000 -14.787) 14.787 4.460 ( 0.000 0.000 9.080) 9.080 4.481 ( 0.000 0.000 -10.874) 10.874 4.661 ( 0.000 0.000 9.309) 9.309 4.946 ( 0.000 0.000 2.904) 2.904 5.038 ( 0.000 0.000 -1.976) 1.976 5.266 ( 0.000 0.000 3.514) 3.514 5.505 ( 0.000 0.000 -0.559) 0.559 5.780 ( 0.000 0.000 0.019) 0.019 5.809 ( 0.000 0.000 -6.805) 6.805 5.961 ( 0.000 0.000 -2.741) 2.741 6.010 ( 0.000 0.000 -4.839) 4.839 6.019 ( 0.000 0.000 -4.328) 4.328 6.192 ( 0.000 0.000 -0.079) 0.079 6.436 ( 0.000 0.000 -4.982) 4.982 6.638 ( 0.000 0.000 11.083) 11.083 6.683 ( 0.000 0.000 -17.740) 17.740 7.342 ( 0.000 0.000 -7.192) 7.192 7.649 ( 0.000 0.000 3.137) 3.137 7.732 ( 0.000 0.000 0.487) 0.487 12.668 ( 0.000 0.000 19.359) 19.359 13.195 ( 0.000 0.000 5.892) 5.892 13.833 ( 0.000 0.000 10.761) 10.761 14.738 ( 0.000 0.000 -7.821) 7.821 17.319 ( 0.000 0.000 1.190) 1.190 17.408 ( 0.000 0.000 1.043) 1.043 17.412 ( 0.000 0.000 -0.720) 0.720 17.527 ( 0.000 0.000 -1.275) 1.275 18.248 ( 0.000 0.000 -0.015) 0.015 18.278 ( 0.000 0.000 -0.946) 0.946 18.283 ( 0.000 0.000 0.367) 0.367 18.344 ( 0.000 0.000 -0.869) 0.869 31.706 ( 0.000 0.000 0.373) 0.373 31.757 ( 0.000 0.000 -0.672) 0.672 32.506 ( 0.000 0.000 0.955) 0.955 32.643 ( 0.000 0.000 -2.122) 2.122 36.906 ( 0.000 0.000 0.864) 0.864 36.972 ( 0.000 0.000 0.085) 0.085 36.990 ( 0.000 0.000 -0.271) 0.271 37.012 ( 0.000 0.000 -1.110) 1.110 64.514 ( 0.000 0.000 3.982) 3.982 64.932 ( 0.000 0.000 -4.507) 4.507 65.095 ( 0.000 0.000 12.067) 12.067 66.634 ( 0.000 0.000 -19.570) 19.570 100.136 ( 0.000 0.000 0.152) 0.152 100.140 ( 0.000 0.000 0.072) 0.072 100.153 ( 0.000 0.000 0.250) 0.250 100.158 ( 0.000 0.000 0.157) 0.157 ======================= Grid point 151 (50/120) ======================= q-point: ( 0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 12.806 0.000 21.928) 25.393 1.205 ( 16.734 0.000 21.371) 27.143 1.987 ( 12.219 0.000 39.508) 41.354 2.395 ( 8.640 0.000 10.401) 13.521 2.522 ( 8.955 0.000 20.265) 22.156 2.859 ( 2.539 0.000 -11.833) 12.103 2.860 ( 5.799 0.000 -16.513) 17.501 2.916 ( 3.891 0.000 11.470) 12.112 3.362 ( 3.338 0.000 -10.765) 11.271 3.445 ( 1.255 0.000 1.719) 2.128 3.865 ( -2.996 0.000 1.475) 3.339 4.072 ( -0.217 0.000 4.275) 4.280 4.284 ( 3.785 0.000 -14.201) 14.697 4.485 ( 2.726 0.000 7.626) 8.098 4.493 ( 1.256 0.000 -8.644) 8.734 4.695 ( 3.749 0.000 8.203) 9.019 4.992 ( 4.673 0.000 1.961) 5.067 5.149 ( 9.847 0.000 -4.071) 10.655 5.324 ( 5.501 0.000 2.285) 5.957 5.507 ( 0.111 0.000 -0.949) 0.955 5.779 ( -0.134 0.000 -0.000) 0.134 5.810 ( 0.393 0.000 -5.937) 5.950 5.919 ( -2.774 0.000 -0.533) 2.825 6.059 ( 4.585 0.000 -4.682) 6.554 6.065 ( 4.962 0.000 -3.517) 6.082 6.293 ( 7.666 0.000 -1.191) 7.758 6.442 ( 0.630 0.000 -4.739) 4.780 6.638 ( -4.512 0.000 -16.854) 17.448 6.639 ( 0.241 0.000 10.720) 10.723 7.329 ( -1.328 0.000 -6.567) 6.700 7.598 ( -5.190 0.000 2.494) 5.758 7.646 ( -7.780 0.000 0.297) 7.786 12.724 ( 5.722 0.000 18.999) 19.841 13.255 ( 6.120 0.000 5.663) 8.338 13.880 ( 4.890 0.000 9.601) 10.774 14.263 ( -36.690 0.000 15.639) 39.884 17.295 ( -2.409 0.000 1.179) 2.682 17.382 ( -2.795 0.000 -0.628) 2.865 17.440 ( 1.029 0.000 -1.848) 2.115 17.485 ( -4.270 0.000 -1.139) 4.420 18.254 ( 0.321 0.000 0.373) 0.492 18.259 ( -0.475 0.000 0.273) 0.548 18.327 ( 3.005 0.000 -0.878) 3.131 18.351 ( 1.352 0.000 -0.807) 1.575 31.704 ( -0.212 0.000 0.358) 0.416 31.754 ( -0.361 0.000 -0.656) 0.749 32.465 ( -4.158 0.000 1.035) 4.285 32.604 ( -3.993 0.000 -2.048) 4.487 36.899 ( -0.690 0.000 0.916) 1.147 36.969 ( -0.288 0.000 0.047) 0.292 36.987 ( -0.307 0.000 -0.258) 0.401 37.006 ( -0.648 0.000 -1.049) 1.233 64.498 ( -1.598 0.000 3.898) 4.213 64.903 ( -2.959 0.000 -3.758) 4.783 65.061 ( -3.396 0.000 11.226) 11.729 66.569 ( -6.916 0.000 -19.713) 20.891 100.147 ( 1.239 0.000 0.148) 1.248 100.149 ( 1.052 0.000 0.301) 1.095 100.174 ( 1.949 0.000 0.062) 1.950 100.230 ( 5.855 0.000 -2.692) 6.444 ======================= Grid point 152 (51/120) ======================= q-point: ( 0.13 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 18.440 0.000 15.868) 24.327 1.552 ( 17.779 0.000 17.288) 24.799 2.282 ( 15.404 0.000 23.981) 28.503 2.643 ( 17.002 0.000 11.590) 20.577 2.745 ( 12.992 0.000 17.151) 21.517 2.970 ( 8.807 0.000 -9.572) 13.007 3.002 ( 8.047 0.000 -14.297) 16.406 3.018 ( 6.918 0.000 13.236) 14.935 3.421 ( 1.845 0.000 -4.247) 4.631 3.473 ( 0.655 0.000 -3.850) 3.905 3.812 ( -0.622 0.000 1.363) 1.498 4.080 ( 1.506 0.000 4.908) 5.134 4.381 ( 5.355 0.000 -13.614) 14.630 4.537 ( 3.743 0.000 -3.502) 5.126 4.565 ( 5.189 0.000 3.690) 6.367 4.808 ( 7.559 0.000 5.318) 9.242 5.119 ( 8.046 0.000 -0.926) 8.099 5.355 ( 9.939 0.000 -4.096) 10.750 5.453 ( 7.155 0.000 -0.295) 7.162 5.513 ( 0.852 0.000 -1.977) 2.153 5.781 ( 0.688 0.000 -0.722) 0.997 5.832 ( 1.994 0.000 -3.901) 4.381 5.889 ( -0.092 0.000 1.815) 1.817 6.166 ( 6.032 0.000 -3.618) 7.034 6.175 ( 4.707 0.000 -0.177) 4.710 6.424 ( 5.459 0.000 2.369) 5.951 6.447 ( -2.033 0.000 -8.529) 8.768 6.536 ( -3.450 0.000 -8.911) 9.555 6.656 ( 1.716 0.000 8.112) 8.292 7.296 ( -1.822 0.000 -5.334) 5.636 7.458 ( -8.795 0.000 0.529) 8.811 7.497 ( -5.812 0.000 -4.439) 7.313 12.886 ( 10.834 0.000 18.014) 21.021 13.425 ( 11.061 0.000 5.058) 12.162 13.693 ( -18.526 0.000 29.451) 34.793 14.023 ( 9.724 0.000 6.861) 11.901 17.227 ( -4.580 0.000 1.141) 4.720 17.298 ( -5.924 0.000 -0.622) 5.957 17.367 ( -7.682 0.000 -0.771) 7.721 17.418 ( -3.059 0.000 -2.652) 4.048 18.256 ( 0.106 0.000 1.481) 1.484 18.262 ( 0.781 0.000 0.903) 1.193 18.396 ( 4.049 0.000 -1.589) 4.350 18.405 ( 3.956 0.000 -1.696) 4.304 31.698 ( -0.395 0.000 0.319) 0.507 31.744 ( -0.669 0.000 -0.605) 0.902 32.351 ( -7.346 0.000 1.251) 7.452 32.496 ( -6.866 0.000 -1.892) 7.122 36.884 ( -0.753 0.000 0.985) 1.240 36.960 ( -0.659 0.000 -0.087) 0.665 36.977 ( -0.648 0.000 -0.208) 0.680 36.990 ( -0.868 0.000 -0.838) 1.206 64.456 ( -2.639 0.000 3.624) 4.484 64.820 ( -5.430 0.000 -1.720) 5.695 64.969 ( -5.979 0.000 8.906) 10.727 66.364 ( -13.934 0.000 -18.215) 22.934 100.181 ( 2.131 0.000 0.533) 2.196 100.182 ( 2.231 0.000 0.142) 2.235 100.223 ( 2.968 0.000 -0.097) 2.970 100.335 ( 4.381 0.000 -3.994) 5.928 ======================= Grid point 153 (52/120) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 17.855 0.000 10.918) 20.928 1.887 ( 16.863 0.000 13.402) 21.540 2.503 ( 6.879 0.000 7.825) 10.419 2.934 ( 9.372 0.000 9.523) 13.361 3.065 ( 20.093 0.000 14.953) 25.047 3.140 ( 5.055 0.000 -11.743) 12.785 3.188 ( 14.044 0.000 10.962) 17.816 3.200 ( 11.927 0.000 -0.840) 11.957 3.409 ( -3.892 0.000 -8.145) 9.027 3.457 ( 0.248 0.000 3.769) 3.777 3.892 ( 8.097 0.000 -1.035) 8.163 4.152 ( 6.245 0.000 5.597) 8.386 4.457 ( 2.239 0.000 -9.327) 9.592 4.646 ( 6.782 0.000 -2.410) 7.197 4.665 ( 4.563 0.000 -1.492) 4.801 4.969 ( 8.359 0.000 1.883) 8.569 5.278 ( 7.361 0.000 -5.540) 9.213 5.478 ( 3.083 0.000 1.213) 3.313 5.558 ( 2.763 0.000 -3.512) 4.468 5.584 ( 6.388 0.000 -2.174) 6.748 5.817 ( 2.578 0.000 -1.622) 3.046 5.887 ( 3.565 0.000 -1.514) 3.873 5.927 ( 4.468 0.000 2.003) 4.896 6.199 ( -1.874 0.000 5.748) 6.046 6.276 ( 4.456 0.000 -1.795) 4.804 6.327 ( -6.861 0.000 -10.418) 12.475 6.480 ( -0.791 0.000 11.233) 11.261 6.569 ( 4.504 0.000 0.607) 4.545 6.746 ( 8.903 0.000 -2.112) 9.150 7.246 ( -5.756 0.000 -1.159) 5.871 7.299 ( -4.153 0.000 -5.513) 6.902 7.453 ( 1.028 0.000 -10.262) 10.313 13.133 ( 14.220 0.000 16.675) 21.915 13.526 ( 0.520 0.000 26.486) 26.491 13.682 ( 14.099 0.000 5.248) 15.044 14.251 ( 13.542 0.000 3.928) 14.100 17.116 ( -7.034 0.000 0.830) 7.083 17.155 ( -8.678 0.000 -0.603) 8.699 17.201 ( -8.812 0.000 -0.014) 8.812 17.338 ( -4.787 0.000 -2.537) 5.418 18.265 ( 0.893 0.000 2.141) 2.320 18.288 ( 1.862 0.000 1.539) 2.416 18.483 ( 4.809 0.000 -2.335) 5.346 18.495 ( 5.168 0.000 -2.421) 5.707 31.689 ( -0.524 0.000 0.278) 0.593 31.729 ( -0.873 0.000 -0.514) 1.013 32.190 ( -8.957 0.000 1.539) 9.088 32.348 ( -8.038 0.000 -1.801) 8.238 36.873 ( -0.274 0.000 0.937) 0.976 36.944 ( -0.941 0.000 -0.236) 0.970 36.962 ( -0.850 0.000 -0.127) 0.859 36.974 ( -0.702 0.000 -0.576) 0.908 64.402 ( -2.692 0.000 3.111) 4.114 64.698 ( -6.924 0.000 0.797) 6.970 64.837 ( -7.336 0.000 5.925) 9.429 66.048 ( -18.093 0.000 -15.424) 23.775 100.228 ( 2.633 0.000 0.643) 2.710 100.231 ( 2.761 0.000 0.133) 2.764 100.285 ( 3.277 0.000 -0.191) 3.282 100.399 ( 2.417 0.000 -3.117) 3.944 ======================= Grid point 154 (53/120) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 11.522 0.000 6.468) 13.213 2.205 ( 15.380 0.000 7.242) 17.000 2.557 ( -0.548 0.000 1.718) 1.803 3.072 ( 5.739 0.000 8.324) 10.110 3.155 ( -2.509 0.000 -3.684) 4.457 3.348 ( -1.771 0.000 -12.949) 13.070 3.377 ( 13.269 0.000 6.139) 14.621 3.440 ( 12.410 0.000 1.976) 12.567 3.510 ( 5.226 0.000 4.636) 6.986 3.548 ( 19.790 0.000 13.939) 24.206 4.073 ( 9.502 0.000 -1.615) 9.638 4.316 ( 10.037 0.000 7.457) 12.504 4.472 ( -0.664 0.000 -3.733) 3.791 4.721 ( 0.750 0.000 -6.394) 6.438 4.759 ( 3.895 0.000 -2.459) 4.606 5.087 ( 2.548 0.000 -5.022) 5.632 5.389 ( 5.305 0.000 -4.748) 7.119 5.528 ( 1.684 0.000 2.943) 3.390 5.579 ( 0.047 0.000 -1.175) 1.176 5.718 ( 7.229 0.000 -3.246) 7.925 5.854 ( 1.245 0.000 1.241) 1.758 5.961 ( 3.667 0.000 -1.144) 3.841 6.005 ( 0.575 0.000 5.389) 5.420 6.171 ( 0.455 0.000 3.856) 3.882 6.203 ( -4.170 0.000 -4.690) 6.276 6.359 ( 2.566 0.000 0.878) 2.712 6.461 ( 2.011 0.000 7.307) 7.578 6.664 ( 4.374 0.000 0.942) 4.475 6.961 ( 11.701 0.000 -5.049) 12.743 7.124 ( -3.629 0.000 -0.878) 3.734 7.295 ( 1.940 0.000 -6.330) 6.620 7.504 ( 3.389 0.000 -10.221) 10.768 13.420 ( 14.833 0.000 15.302) 21.312 13.633 ( 9.084 0.000 23.628) 25.314 13.968 ( 14.839 0.000 3.884) 15.339 14.533 ( 15.017 0.000 1.634) 15.106 16.945 ( -10.151 0.000 0.035) 10.151 16.973 ( -9.703 0.000 -0.704) 9.729 17.050 ( -6.617 0.000 1.301) 6.743 17.241 ( -5.040 0.000 -2.481) 5.618 18.290 ( 1.626 0.000 2.615) 3.079 18.332 ( 2.585 0.000 2.184) 3.384 18.580 ( 5.104 0.000 -3.062) 5.952 18.600 ( 5.571 0.000 -2.946) 6.302 31.678 ( -0.571 0.000 0.255) 0.626 31.711 ( -0.933 0.000 -0.382) 1.008 32.014 ( -8.871 0.000 1.834) 9.059 32.194 ( -7.595 0.000 -1.870) 7.821 36.874 ( 0.310 0.000 0.735) 0.798 36.926 ( -0.838 0.000 -0.232) 0.869 36.946 ( -0.830 0.000 -0.051) 0.832 36.962 ( -0.569 0.000 -0.459) 0.732 64.359 ( -1.539 0.000 2.301) 2.769 64.560 ( -7.110 0.000 2.639) 7.584 64.692 ( -7.444 0.000 3.511) 8.230 65.681 ( -19.200 0.000 -12.389) 22.850 100.279 ( 2.561 0.000 0.607) 2.632 100.286 ( 2.843 0.000 0.098) 2.845 100.347 ( 3.011 0.000 -0.232) 3.019 100.434 ( 1.242 0.000 -2.063) 2.408 ======================= Grid point 155 (54/120) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.994 0.000 1.362) 1.686 2.388 ( -0.929 0.000 -4.626) 4.719 2.598 ( 9.737 0.000 5.091) 10.988 3.121 ( -0.902 0.000 0.502) 1.032 3.171 ( 4.510 0.000 6.365) 7.801 3.339 ( 2.000 0.000 -12.062) 12.227 3.603 ( 9.860 0.000 -6.298) 11.700 3.632 ( 6.615 0.000 2.913) 7.228 3.681 ( 12.509 0.000 13.353) 18.297 3.888 ( 14.806 0.000 11.170) 18.547 4.228 ( 5.182 0.000 -2.310) 5.673 4.426 ( -3.687 0.000 0.699) 3.753 4.511 ( 9.212 0.000 9.336) 13.116 4.694 ( -3.043 0.000 -8.492) 9.021 4.772 ( -2.356 0.000 0.816) 2.493 5.096 ( 0.500 0.000 -10.997) 11.009 5.509 ( -3.262 0.000 4.524) 5.578 5.514 ( 6.708 0.000 0.558) 6.731 5.558 ( -3.500 0.000 1.280) 3.727 5.804 ( -0.093 0.000 -6.123) 6.123 5.865 ( 0.082 0.000 3.744) 3.745 6.029 ( 4.291 0.000 -4.055) 5.904 6.032 ( 5.096 0.000 5.091) 7.203 6.148 ( -3.057 0.000 5.489) 6.283 6.184 ( 2.259 0.000 2.037) 3.042 6.374 ( -0.848 0.000 2.264) 2.418 6.604 ( 10.644 0.000 -4.862) 11.702 6.712 ( 0.695 0.000 -3.922) 3.983 7.142 ( 4.718 0.000 1.934) 5.099 7.169 ( 9.414 0.000 -3.548) 10.060 7.361 ( 4.656 0.000 -5.255) 7.021 7.564 ( 2.486 0.000 -7.417) 7.823 13.690 ( 12.571 0.000 14.126) 18.909 13.832 ( 10.527 0.000 21.743) 24.157 14.240 ( 12.716 0.000 3.073) 13.082 14.814 ( 13.436 0.000 0.077) 13.436 16.749 ( -9.595 0.000 -0.013) 9.595 16.791 ( -8.691 0.000 -0.912) 8.738 16.936 ( -5.139 0.000 1.939) 5.492 17.149 ( -4.389 0.000 -2.445) 5.024 18.326 ( 1.897 0.000 3.046) 3.589 18.384 ( 2.738 0.000 2.794) 3.912 18.676 ( 4.666 0.000 -3.682) 5.944 18.706 ( 5.120 0.000 -3.320) 6.103 31.667 ( -0.517 0.000 0.259) 0.579 31.693 ( -0.842 0.000 -0.198) 0.865 31.855 ( -7.334 0.000 2.062) 7.618 32.061 ( -6.006 0.000 -2.079) 6.356 36.883 ( 0.634 0.000 0.461) 0.784 36.913 ( -0.549 0.000 -0.156) 0.571 36.931 ( -0.638 0.000 -0.022) 0.639 36.952 ( -0.461 0.000 -0.419) 0.623 64.350 ( 0.773 0.000 1.154) 1.389 64.431 ( -6.010 0.000 3.293) 6.853 64.556 ( -6.401 0.000 2.295) 6.800 65.317 ( -18.021 0.000 -9.493) 20.368 100.324 ( 2.071 0.000 0.467) 2.123 100.339 ( 2.576 0.000 0.021) 2.576 100.399 ( 2.362 0.000 -0.229) 2.373 100.450 ( 0.466 0.000 -1.265) 1.348 ======================= Grid point 156 (55/120) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -3.144 0.000 -3.028) 4.365 2.294 ( -5.728 0.000 -7.181) 9.186 2.826 ( 11.001 0.000 -0.211) 11.003 3.074 ( -4.007 0.000 -3.052) 5.037 3.244 ( 2.943 0.000 6.202) 6.864 3.464 ( 10.269 0.000 -5.082) 11.458 3.748 ( 4.998 0.000 2.033) 5.396 3.762 ( 6.607 0.000 -8.541) 10.798 3.910 ( 10.548 0.000 15.573) 18.809 4.117 ( 8.813 0.000 8.896) 12.522 4.179 ( -9.694 0.000 -1.281) 9.779 4.414 ( 2.383 0.000 0.405) 2.417 4.574 ( -4.265 0.000 -8.144) 9.193 4.702 ( 5.629 0.000 9.175) 10.764 4.715 ( -2.458 0.000 6.676) 7.114 5.132 ( 2.744 0.000 -12.255) 12.558 5.400 ( -7.141 0.000 3.048) 7.764 5.480 ( -3.493 0.000 8.007) 8.736 5.591 ( -0.645 0.000 -0.680) 0.937 5.766 ( -0.579 0.000 -4.376) 4.414 5.868 ( 0.191 0.000 3.457) 3.462 6.081 ( -2.917 0.000 5.842) 6.529 6.126 ( 4.732 0.000 -3.176) 5.699 6.186 ( 8.618 0.000 0.258) 8.622 6.252 ( 3.691 0.000 2.134) 4.264 6.343 ( -1.697 0.000 2.472) 2.998 6.711 ( -0.413 0.000 -7.364) 7.376 6.792 ( 7.562 0.000 -11.234) 13.542 7.254 ( 5.726 0.000 3.050) 6.488 7.328 ( 7.233 0.000 -0.966) 7.297 7.458 ( 4.743 0.000 -3.548) 5.923 7.593 ( 0.283 0.000 -4.415) 4.424 13.895 ( 8.238 0.000 13.273) 15.622 14.014 ( 7.687 0.000 20.907) 22.276 14.448 ( 8.472 0.000 2.439) 8.816 15.037 ( 9.129 0.000 -0.929) 9.176 16.587 ( -6.707 0.000 0.103) 6.707 16.647 ( -5.970 0.000 -1.132) 6.077 16.854 ( -3.318 0.000 2.419) 4.106 17.076 ( -2.978 0.000 -2.377) 3.811 18.360 ( 1.532 0.000 3.408) 3.736 18.433 ( 2.136 0.000 3.291) 3.924 18.755 ( 3.323 0.000 -4.123) 5.296 18.793 ( 3.664 0.000 -3.545) 5.098 31.659 ( -0.362 0.000 0.278) 0.456 31.679 ( -0.694 0.000 0.196) 0.721 31.737 ( -4.677 0.000 1.999) 5.086 31.965 ( -3.782 0.000 -2.325) 4.439 36.896 ( 0.570 0.000 0.269) 0.630 36.905 ( -0.275 0.000 -0.093) 0.290 36.922 ( -0.369 0.000 -0.090) 0.380 36.945 ( -0.313 0.000 -0.388) 0.498 64.333 ( -3.954 0.000 3.097) 5.023 64.395 ( 3.899 0.000 -0.339) 3.913 64.450 ( -4.344 0.000 2.053) 4.805 64.992 ( -15.215 0.000 -6.835) 16.680 100.358 ( 1.327 0.000 0.308) 1.363 100.384 ( 2.077 0.000 -0.116) 2.081 100.437 ( 1.493 0.000 -0.205) 1.506 100.453 ( -0.182 0.000 -0.697) 0.720 ======================= Grid point 157 (56/120) ======================= q-point: ( 0.47 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -1.238 0.000 -6.018) 6.144 2.210 ( -2.435 0.000 -8.453) 8.797 2.982 ( 4.367 0.000 -5.702) 7.182 3.000 ( -2.585 0.000 -3.567) 4.405 3.283 ( 1.027 0.000 8.475) 8.537 3.696 ( 12.772 0.000 -1.545) 12.865 3.817 ( 1.895 0.000 1.365) 2.335 3.856 ( 2.755 0.000 -7.279) 7.782 3.950 ( -12.729 0.000 -0.601) 12.743 4.063 ( 4.428 0.000 14.852) 15.498 4.231 ( 2.938 0.000 7.907) 8.435 4.450 ( 0.886 0.000 -0.812) 1.202 4.490 ( -2.916 0.000 -11.407) 11.774 4.687 ( -0.555 0.000 10.573) 10.588 4.786 ( 2.259 0.000 11.491) 11.711 5.183 ( 1.934 0.000 -12.945) 13.088 5.290 ( -3.198 0.000 2.999) 4.384 5.427 ( -1.672 0.000 10.918) 11.045 5.526 ( -3.178 0.000 -4.226) 5.288 5.790 ( 1.326 0.000 -0.082) 1.329 5.871 ( 0.119 0.000 3.045) 3.047 6.039 ( -1.162 0.000 5.665) 5.783 6.194 ( 2.073 0.000 -0.972) 2.289 6.284 ( -0.449 0.000 0.070) 0.454 6.319 ( 4.051 0.000 -2.447) 4.733 6.339 ( 1.047 0.000 2.544) 2.751 6.703 ( -0.323 0.000 -8.934) 8.940 6.883 ( 1.982 0.000 -13.733) 13.875 7.336 ( 2.283 0.000 2.911) 3.700 7.451 ( 4.891 0.000 -0.115) 4.893 7.527 ( 1.955 0.000 -2.453) 3.137 7.573 ( -2.040 0.000 -2.028) 2.876 14.003 ( 2.846 0.000 12.823) 13.135 14.117 ( 2.761 0.000 20.611) 20.795 14.560 ( 2.959 0.000 2.072) 3.612 15.158 ( 3.202 0.000 -1.460) 3.519 16.497 ( -2.404 0.000 0.193) 2.412 16.567 ( -2.121 0.000 -1.266) 2.470 16.810 ( -1.135 0.000 2.733) 2.959 17.036 ( -1.052 0.000 -2.314) 2.542 18.381 ( 0.590 0.000 3.619) 3.667 18.463 ( 0.815 0.000 3.577) 3.669 18.800 ( 1.209 0.000 -4.351) 4.515 18.842 ( 1.338 0.000 -3.641) 3.879 31.654 ( -0.130 0.000 0.294) 0.321 31.662 ( -0.987 0.000 2.241) 2.449 31.682 ( -0.880 0.000 0.140) 0.891 31.916 ( -1.284 0.000 -2.486) 2.798 36.902 ( -0.078 0.000 -0.063) 0.101 36.904 ( 0.209 0.000 0.313) 0.377 36.917 ( -0.102 0.000 -0.298) 0.315 36.940 ( -0.112 0.000 -0.363) 0.380 64.281 ( -1.370 0.000 2.724) 3.049 64.392 ( -1.543 0.000 2.188) 2.677 64.498 ( 6.099 0.000 -2.106) 6.452 64.739 ( -10.031 0.000 -4.492) 10.991 100.375 ( 0.455 0.000 0.207) 0.500 100.419 ( 1.380 0.000 -0.419) 1.442 100.443 ( -0.735 0.000 -0.195) 0.760 100.456 ( 0.509 0.000 -0.185) 0.542 ======================= Grid point 165 (57/120) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 13.310 22.286) 25.958 1.424 ( 0.000 29.302 18.068) 34.425 1.980 ( 0.000 10.101 31.346) 32.933 2.253 ( 0.000 -0.356 18.467) 18.470 2.339 ( 0.000 -9.400 21.780) 23.722 2.774 ( 0.000 -1.664 1.614) 2.318 2.881 ( 0.000 2.118 -14.937) 15.087 2.887 ( 0.000 3.804 -6.005) 7.108 3.284 ( 0.000 -3.594 -13.871) 14.329 3.553 ( 0.000 9.410 4.092) 10.261 3.986 ( 0.000 5.552 2.258) 5.993 4.009 ( 0.000 -1.848 0.437) 1.899 4.285 ( 0.000 2.219 -11.892) 12.098 4.507 ( 0.000 5.925 5.340) 7.976 4.630 ( 0.000 12.300 -4.687) 13.163 4.675 ( 0.000 -4.655 8.486) 9.679 4.788 ( 0.000 -30.081 1.997) 30.147 5.064 ( 0.000 2.646 -2.044) 3.343 5.112 ( 0.000 13.243 2.433) 13.465 5.548 ( 0.000 -2.542 -0.330) 2.563 5.614 ( 0.000 -13.712 -1.745) 13.823 5.672 ( 0.000 -11.422 -5.420) 12.643 5.947 ( 0.000 -4.111 -5.948) 7.230 5.959 ( 0.000 -4.777 -3.944) 6.194 6.137 ( 0.000 8.598 -1.388) 8.710 6.243 ( 0.000 5.759 1.378) 5.921 6.449 ( 0.000 1.285 0.406) 1.348 6.623 ( 0.000 -0.871 9.249) 9.290 6.936 ( 0.000 20.370 -15.532) 25.616 7.343 ( 0.000 0.356 -6.554) 6.563 7.583 ( 0.000 -5.734 1.719) 5.986 7.729 ( 0.000 -2.111 -6.571) 6.902 12.699 ( 0.000 3.567 20.233) 20.545 13.246 ( 0.000 5.204 5.838) 7.820 13.759 ( 0.000 -7.294 9.614) 12.068 14.005 ( 0.000 -53.257 20.685) 57.133 17.390 ( 0.000 2.551 -1.064) 2.764 17.408 ( 0.000 0.051 0.946) 0.947 17.432 ( 0.000 2.956 -1.353) 3.251 17.524 ( 0.000 -0.306 -1.299) 1.335 18.250 ( 0.000 0.222 -0.003) 0.222 18.278 ( 0.000 -0.438 0.287) 0.524 18.282 ( 0.000 0.324 -0.898) 0.955 18.324 ( 0.000 -1.378 -0.335) 1.418 31.784 ( 0.000 7.745 1.016) 7.811 32.119 ( 0.000 25.810 -13.312) 29.041 32.412 ( 0.000 -8.338 1.764) 8.523 32.664 ( 0.000 0.706 -3.860) 3.924 36.899 ( 0.000 -0.499 0.837) 0.974 36.949 ( 0.000 -1.779 0.108) 1.782 37.005 ( 0.000 1.013 -1.671) 1.955 37.020 ( 0.000 0.580 -1.625) 1.725 64.572 ( 0.000 6.376 5.161) 8.203 65.048 ( 0.000 -4.772 11.627) 12.568 65.484 ( 0.000 41.311 -25.043) 48.309 66.596 ( 0.000 -4.136 -20.764) 21.172 100.137 ( 0.000 0.146 0.174) 0.227 100.147 ( 0.000 0.544 -0.198) 0.579 100.151 ( 0.000 -0.214 0.266) 0.342 100.159 ( 0.000 0.055 0.086) 0.102 ======================= Grid point 166 (58/120) ======================= q-point: ( 0.07 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 14.140 12.030 19.249) 26.743 1.519 ( 9.301 26.275 17.266) 32.787 2.085 ( 10.113 7.171 26.440) 29.202 2.367 ( 11.481 2.345 19.328) 22.603 2.422 ( 8.263 -9.952 20.058) 23.867 2.823 ( 4.686 -1.759 4.919) 7.018 2.907 ( 3.244 3.352 -14.041) 14.795 2.936 ( 4.633 3.700 -9.075) 10.840 3.326 ( 4.087 -3.457 -13.195) 14.239 3.563 ( 0.903 9.303 3.871) 10.117 3.975 ( -2.120 8.899 -0.334) 9.154 4.007 ( 0.924 -3.596 3.382) 5.022 4.320 ( 3.477 2.203 -11.989) 12.676 4.531 ( 2.431 2.989 2.841) 4.787 4.613 ( 0.029 7.540 3.266) 8.217 4.738 ( 4.688 3.561 3.439) 6.818 4.845 ( 5.509 -29.603 1.528) 30.150 5.013 ( -0.011 2.871 0.185) 2.877 5.272 ( 10.819 9.452 -1.042) 14.404 5.568 ( 1.441 -4.147 -3.638) 5.702 5.630 ( 0.984 -11.564 -2.062) 11.788 5.651 ( -0.064 -10.525 -1.156) 10.588 5.978 ( 2.684 -2.274 -5.404) 6.448 6.006 ( 4.110 -2.882 -3.912) 6.364 6.161 ( 2.425 7.158 -1.057) 7.631 6.291 ( 4.164 2.219 0.333) 4.730 6.451 ( 0.392 0.963 0.784) 1.302 6.615 ( -0.847 -0.812 8.229) 8.312 6.901 ( -3.229 19.967 -14.424) 24.843 7.321 ( -2.277 -0.326 -5.420) 5.888 7.535 ( -4.735 -5.083 0.810) 6.994 7.657 ( -6.431 -0.951 -6.194) 8.979 12.753 ( 5.478 3.267 19.853) 20.852 13.307 ( 6.157 5.224 5.577) 9.814 13.785 ( -15.307 -34.180 24.705) 44.865 13.813 ( 2.912 -9.867 10.294) 14.553 17.332 ( -3.964 2.385 0.648) 4.671 17.401 ( -2.880 1.584 -0.849) 3.395 17.429 ( -0.488 -0.776 -1.377) 1.654 17.483 ( -4.185 -0.291 -1.211) 4.366 18.251 ( 0.007 -0.226 0.550) 0.595 18.257 ( -0.495 -0.130 0.327) 0.607 18.327 ( 3.032 0.002 -0.972) 3.184 18.342 ( 2.055 -0.634 -0.827) 2.305 31.778 ( -0.584 7.382 0.959) 7.467 32.053 ( -5.759 22.918 -9.286) 25.390 32.378 ( -3.502 -7.873 1.737) 8.790 32.616 ( -4.714 0.131 -3.568) 5.913 36.894 ( -0.497 -0.321 0.835) 1.023 36.946 ( -0.282 -1.710 0.137) 1.738 36.996 ( -0.717 0.472 -1.233) 1.503 37.010 ( -0.893 0.432 -1.445) 1.753 64.552 ( -2.027 5.985 5.122) 8.134 65.009 ( -4.009 -4.405 11.353) 12.820 65.373 ( -9.800 36.492 -18.569) 42.101 66.521 ( -7.790 -5.160 -20.487) 22.517 100.148 ( 1.170 0.101 0.232) 1.197 100.151 ( 1.072 0.171 0.324) 1.133 100.176 ( 2.030 0.185 -0.074) 2.040 100.218 ( 4.888 -1.068 -1.795) 5.315 ======================= Grid point 167 (59/120) ======================= q-point: ( 0.13 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 16.501 10.591 15.374) 24.916 1.759 ( 14.771 20.971 15.237) 29.836 2.318 ( 12.161 0.305 15.647) 19.820 2.634 ( 12.626 -10.706 15.878) 22.938 2.682 ( 19.883 6.916 20.286) 29.234 2.942 ( 7.554 -1.313 9.206) 11.981 3.012 ( 7.433 3.825 -13.294) 15.703 3.060 ( 7.759 4.165 -11.964) 14.855 3.424 ( 5.129 -2.140 -11.657) 12.914 3.582 ( 0.871 9.411 3.722) 10.157 3.919 ( -2.582 6.884 1.391) 7.483 4.050 ( 3.579 1.525 3.122) 4.988 4.408 ( 5.084 1.753 -11.805) 12.972 4.589 ( 3.143 -1.462 -0.054) 3.467 4.654 ( 4.424 9.019 6.278) 11.846 4.846 ( 6.476 3.770 1.863) 7.722 4.979 ( 7.384 -25.086 1.196) 26.177 5.080 ( 6.907 -1.561 -0.900) 7.138 5.477 ( 8.674 5.210 -1.884) 10.293 5.590 ( 1.486 -3.726 -4.867) 6.307 5.622 ( 0.545 -12.223 -2.274) 12.445 5.739 ( 7.046 -3.022 0.331) 7.674 6.028 ( 2.346 3.199 -3.367) 5.203 6.100 ( 4.996 -4.310 -2.029) 6.903 6.218 ( 2.798 3.191 0.118) 4.245 6.350 ( 0.690 -1.695 0.741) 1.974 6.478 ( 2.556 1.284 -0.151) 2.865 6.580 ( -2.980 0.847 4.934) 5.826 6.843 ( -1.647 16.154 -9.177) 18.652 7.256 ( -4.279 -3.031 -3.301) 6.197 7.416 ( -6.757 -2.810 -1.626) 7.496 7.533 ( -5.065 1.240 -7.965) 9.521 12.909 ( 10.474 2.549 18.831) 21.698 13.473 ( 8.002 2.319 7.916) 11.493 13.510 ( -5.622 -13.221 26.125) 29.815 13.960 ( 10.134 -6.245 6.296) 13.466 17.243 ( -5.271 1.548 0.890) 5.565 17.312 ( -6.249 1.232 -0.722) 6.410 17.364 ( -7.372 -0.329 -0.801) 7.423 17.392 ( -3.625 -2.373 -1.823) 4.701 18.252 ( 0.282 -0.267 1.408) 1.460 18.260 ( 0.708 -0.212 0.963) 1.214 18.396 ( 4.057 0.023 -1.643) 4.377 18.403 ( 4.068 -0.151 -1.736) 4.426 31.762 ( -1.027 6.391 0.812) 6.524 31.938 ( -5.510 16.552 -4.250) 17.956 32.281 ( -6.279 -6.573 1.684) 9.245 32.492 ( -7.799 -1.159 -2.900) 8.401 36.883 ( -0.604 -0.018 0.850) 1.043 36.936 ( -0.748 -1.632 0.205) 1.807 36.983 ( -0.630 -0.326 -0.842) 1.101 36.989 ( -1.172 0.205 -0.980) 1.542 64.499 ( -3.261 4.961 4.869) 7.678 64.899 ( -6.991 -3.181 10.467) 12.983 65.165 ( -10.761 26.411 -10.397) 30.355 66.298 ( -14.700 -6.896 -18.374) 24.520 100.181 ( 2.173 0.110 0.391) 2.211 100.185 ( 2.245 0.207 0.421) 2.293 100.226 ( 3.019 0.355 -0.294) 3.054 100.312 ( 4.311 -2.024 -2.976) 5.616 ======================= Grid point 168 (60/120) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 15.531 8.428 11.772) 21.233 2.065 ( 15.980 17.790 12.032) 26.769 2.509 ( 6.818 -1.867 7.877) 10.583 2.872 ( 11.065 -9.214 11.861) 18.655 3.021 ( 11.697 0.286 13.151) 17.602 3.153 ( 11.025 3.398 -2.923) 11.901 3.179 ( 10.783 0.489 -5.848) 12.277 3.237 ( 12.964 7.028 -1.514) 14.824 3.479 ( -0.213 2.814 -9.325) 9.742 3.604 ( 2.152 10.557 5.928) 12.297 3.924 ( 3.977 2.195 1.881) 4.917 4.157 ( 7.628 4.185 3.681) 9.447 4.497 ( 3.689 2.391 -10.021) 10.943 4.652 ( 3.271 -1.739 1.230) 3.903 4.765 ( 6.146 7.138 1.245) 9.501 4.975 ( 5.983 0.240 -2.081) 6.339 5.115 ( 7.368 -14.596 3.102) 16.642 5.274 ( 12.105 -6.795 -2.889) 14.179 5.544 ( 0.357 -5.113 -1.606) 5.371 5.642 ( 2.583 -4.521 -3.627) 6.346 5.690 ( 5.080 -0.985 0.869) 5.247 5.886 ( 6.811 1.293 -4.175) 8.093 6.073 ( 2.049 3.624 -0.276) 4.172 6.170 ( 1.721 -3.648 3.008) 5.032 6.251 ( 0.896 -0.377 1.741) 1.994 6.307 ( -4.853 -0.748 -2.853) 5.679 6.502 ( -0.416 2.273 2.783) 3.618 6.572 ( 3.899 1.857 5.510) 7.001 6.843 ( 1.401 6.422 -6.825) 9.475 7.171 ( -4.633 -6.371 -1.791) 8.079 7.313 ( -2.208 2.279 -4.987) 5.911 7.485 ( -0.064 1.739 -10.685) 10.825 13.149 ( 13.884 1.764 17.481) 22.393 13.459 ( 3.650 -6.339 25.884) 26.898 13.735 ( 14.505 5.419 4.374) 16.090 14.196 ( 13.863 -5.563 3.762) 15.404 17.126 ( -6.835 1.098 0.683) 6.956 17.161 ( -9.078 0.599 -0.547) 9.114 17.201 ( -8.792 0.054 -0.190) 8.794 17.308 ( -4.950 -2.907 -2.028) 6.088 18.265 ( 1.065 0.012 2.039) 2.301 18.284 ( 1.782 -0.340 1.581) 2.407 18.483 ( 4.850 0.078 -2.374) 5.400 18.494 ( 5.142 -0.132 -2.430) 5.688 31.739 ( -1.309 5.002 0.643) 5.210 31.847 ( -3.907 10.778 -1.889) 11.619 32.142 ( -7.865 -4.753 1.676) 9.341 32.329 ( -8.623 -2.317 -2.281) 9.216 36.873 ( -0.366 0.013 0.845) 0.921 36.919 ( -0.995 -1.739 0.329) 2.031 36.965 ( -1.020 -0.175 -0.756) 1.281 36.976 ( -0.292 -0.008 -0.654) 0.716 64.433 ( -3.373 3.644 4.273) 6.551 64.749 ( -8.153 -1.711 9.126) 12.356 64.965 ( -9.894 17.610 -6.072) 21.092 65.973 ( -18.288 -7.800 -15.171) 25.009 100.229 ( 2.696 0.170 0.515) 2.750 100.234 ( 2.758 0.258 0.421) 2.801 100.288 ( 3.247 0.393 -0.425) 3.298 100.379 ( 2.692 -1.846 -2.583) 4.163 ======================= Grid point 169 (61/120) ======================= q-point: ( 0.27 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 12.444 7.208 6.827) 15.919 2.338 ( 10.459 14.125 7.263) 19.017 2.592 ( 3.782 1.526 4.570) 6.125 3.054 ( 7.986 -4.232 8.356) 12.309 3.200 ( 6.425 -4.427 3.967) 8.753 3.214 ( -2.304 5.391 -7.204) 9.288 3.369 ( 8.806 -1.249 -7.772) 11.812 3.476 ( 4.478 1.437 -5.549) 7.274 3.594 ( 16.888 6.323 10.428) 20.831 3.685 ( 6.350 11.112 8.294) 15.251 4.055 ( 8.295 -1.579 0.671) 8.471 4.332 ( 9.564 4.025 6.425) 12.204 4.545 ( 1.329 4.351 -6.168) 7.665 4.703 ( 1.578 -0.650 -0.191) 1.718 4.866 ( 3.760 6.208 -3.262) 7.957 5.043 ( 0.814 -3.154 -5.945) 6.779 5.289 ( 10.135 -6.957 4.130) 12.968 5.502 ( 9.299 -3.074 -5.095) 11.040 5.553 ( 1.228 -3.574 0.247) 3.788 5.684 ( 1.195 -1.384 -1.676) 2.480 5.763 ( 3.607 -5.724 2.869) 7.349 5.960 ( 0.471 0.727 -4.385) 4.470 6.063 ( -2.591 -0.365 5.210) 5.831 6.178 ( -1.682 -4.093 4.371) 6.220 6.205 ( -3.651 1.903 -0.388) 4.136 6.288 ( 2.928 -0.278 -2.003) 3.558 6.549 ( 5.629 4.103 3.092) 7.621 6.656 ( 3.617 2.489 3.048) 5.345 6.908 ( 5.636 -5.395 -6.311) 10.035 7.090 ( -2.196 -4.377 -0.780) 4.959 7.346 ( 4.316 5.144 -6.426) 9.294 7.511 ( 2.230 0.459 -10.326) 10.574 13.430 ( 14.598 1.158 16.145) 21.797 13.603 ( 10.136 -2.883 22.901) 25.209 14.027 ( 15.080 5.803 3.446) 16.521 14.482 ( 15.180 -5.134 1.732) 16.117 16.964 ( -9.951 1.657 -0.109) 10.088 16.982 ( -8.926 1.126 -0.495) 9.011 17.043 ( -7.259 -0.757 0.954) 7.360 17.206 ( -5.320 -3.415 -2.178) 6.686 18.293 ( 1.751 0.268 2.549) 3.104 18.327 ( 2.500 -0.497 2.215) 3.377 18.581 ( 5.159 0.172 -3.074) 6.008 18.598 ( 5.531 -0.202 -2.973) 6.283 31.712 ( -1.508 3.412 0.552) 3.771 31.784 ( -2.596 6.855 -0.944) 7.391 31.985 ( -8.015 -2.940 1.760) 8.716 32.168 ( -7.663 -2.751 -2.001) 8.384 36.868 ( -0.136 -0.462 0.802) 0.936 36.900 ( -0.876 -1.885 0.524) 2.144 36.950 ( -0.532 0.371 -0.653) 0.920 36.972 ( -0.134 0.368 -0.755) 0.850 64.376 ( -2.304 2.248 3.351) 4.647 64.594 ( -7.623 -0.603 7.620) 10.795 64.781 ( -9.003 11.816 -3.783) 15.329 65.608 ( -18.850 -7.527 -11.944) 23.551 100.282 ( 2.644 0.281 0.581) 2.721 100.289 ( 2.800 0.247 0.288) 2.826 100.348 ( 2.916 0.254 -0.447) 2.961 100.420 ( 1.522 -1.352 -1.834) 2.740 ======================= Grid point 170 (62/120) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -3.180 9.074 1.995) 9.820 2.491 ( 7.457 6.322 -1.260) 9.857 2.730 ( 8.845 11.520 4.807) 15.299 3.109 ( -5.550 0.915 -2.398) 6.115 3.192 ( 5.855 0.109 5.716) 8.183 3.290 ( 3.792 -3.841 -7.297) 9.076 3.558 ( 10.059 -3.056 -2.707) 10.856 3.603 ( 7.724 -0.637 -1.197) 7.842 3.808 ( 7.547 7.353 8.496) 13.535 3.889 ( 10.929 2.698 9.066) 14.454 4.213 ( 7.492 -1.529 0.041) 7.647 4.473 ( 2.305 6.386 4.902) 8.374 4.576 ( 3.994 1.568 2.259) 4.849 4.707 ( -1.102 4.279 -1.539) 4.679 4.883 ( -2.661 8.010 -2.254) 8.736 5.042 ( 0.864 -4.296 -9.019) 10.027 5.450 ( 3.519 -2.538 4.209) 6.045 5.547 ( 0.338 0.876 -0.069) 0.941 5.593 ( -0.559 2.527 0.954) 2.758 5.732 ( 3.317 -4.701 -2.779) 6.390 5.851 ( 2.994 -4.920 2.124) 6.139 5.914 ( -1.059 -4.473 -2.166) 5.081 6.067 ( 2.914 -1.891 2.269) 4.149 6.125 ( -1.971 -5.502 7.423) 9.448 6.179 ( 1.030 1.848 0.457) 2.165 6.333 ( 0.843 -1.070 -0.883) 1.623 6.675 ( 4.787 1.081 -4.933) 6.958 6.706 ( 3.132 3.946 -3.550) 6.163 7.057 ( 9.069 -8.306 -1.319) 12.369 7.120 ( 5.018 -2.501 1.529) 5.812 7.440 ( 4.699 5.196 -6.172) 9.336 7.554 ( 1.905 -0.750 -7.726) 7.993 13.697 ( 12.446 0.803 15.041) 19.539 13.815 ( 10.831 -1.765 21.159) 23.835 14.303 ( 12.931 6.194 2.649) 14.581 14.765 ( 13.479 -4.971 0.310) 14.370 16.774 ( -9.106 2.321 -0.093) 9.397 16.812 ( -8.247 2.360 -0.850) 8.620 16.919 ( -5.550 -1.761 1.625) 6.046 17.107 ( -4.706 -4.069 -2.237) 6.611 18.330 ( 1.986 0.465 3.014) 3.639 18.378 ( 2.654 -0.660 2.817) 3.927 18.679 ( 4.722 0.278 -3.667) 5.985 18.703 ( 5.087 -0.275 -3.373) 6.110 31.682 ( -1.508 1.760 0.608) 2.396 31.743 ( -1.667 4.451 -0.487) 4.777 31.840 ( -6.648 -1.408 1.811) 7.032 32.037 ( -5.794 -2.486 -2.044) 6.628 36.866 ( -0.096 -1.235 0.762) 1.454 36.885 ( -0.638 -2.014 0.737) 2.238 36.945 ( 0.035 1.186 -0.775) 1.417 36.970 ( -0.059 0.903 -0.879) 1.262 64.349 ( -0.361 0.810 2.211) 2.382 64.462 ( -5.741 0.393 5.918) 8.254 64.620 ( -7.457 8.045 -2.171) 11.182 65.254 ( -17.333 -6.396 -9.001) 20.551 100.329 ( 2.120 0.410 0.497) 2.216 100.341 ( 2.534 0.174 0.143) 2.544 100.399 ( 2.252 0.023 -0.391) 2.285 100.441 ( 0.690 -0.886 -1.192) 1.637 ======================= Grid point 171 (63/120) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -5.227 8.497 -0.897) 10.016 2.573 ( 0.809 15.809 -7.346) 17.451 2.860 ( 2.922 4.685 -2.643) 6.121 3.048 ( 0.436 -1.167 0.410) 1.312 3.258 ( 1.637 0.860 3.120) 3.627 3.424 ( 9.641 -4.752 -2.299) 10.992 3.708 ( 5.827 -3.691 -6.274) 9.324 3.769 ( 7.700 0.286 2.326) 8.049 3.934 ( 3.925 0.529 8.945) 9.783 4.027 ( 4.271 2.535 8.442) 9.794 4.334 ( 4.912 1.025 -0.063) 5.018 4.450 ( -2.052 10.229 1.579) 10.551 4.642 ( -2.430 2.058 -3.599) 4.805 4.698 ( 3.501 3.408 7.778) 9.185 4.805 ( -3.593 7.279 4.639) 9.350 5.087 ( 2.994 -4.236 -9.528) 10.849 5.419 ( -4.561 1.776 2.232) 5.379 5.480 ( -3.835 1.057 4.663) 6.129 5.611 ( -2.968 1.094 0.797) 3.262 5.753 ( 1.866 -1.073 -2.978) 3.674 5.848 ( 0.868 -2.332 2.670) 3.650 5.976 ( 0.225 -7.880 1.035) 7.951 6.116 ( 5.856 -3.728 2.611) 7.417 6.176 ( 3.815 -0.020 0.959) 3.933 6.235 ( 4.314 -2.773 0.936) 5.213 6.324 ( -1.247 -0.582 0.512) 1.468 6.706 ( 0.527 -0.482 -6.848) 6.885 6.795 ( 3.777 -0.405 -10.805) 11.453 7.238 ( 9.074 -5.148 1.006) 10.481 7.242 ( 6.342 -1.597 2.311) 6.936 7.513 ( 2.705 2.743 -5.000) 6.312 7.577 ( 0.229 -1.177 -4.671) 4.823 13.900 ( 8.188 0.645 14.260) 16.457 13.999 ( 7.754 -1.461 20.356) 21.832 14.515 ( 8.615 6.513 2.006) 10.984 14.988 ( 9.126 -4.956 -0.636) 10.404 16.622 ( -6.270 3.277 0.018) 7.074 16.674 ( -5.707 3.015 -1.047) 6.539 16.829 ( -3.585 -2.420 2.048) 4.785 17.029 ( -3.219 -4.658 -2.210) 6.079 18.366 ( 1.588 0.604 3.398) 3.799 18.425 ( 2.071 -0.805 3.309) 3.985 18.759 ( 3.367 0.375 -4.087) 5.309 18.789 ( 3.642 -0.332 -3.621) 5.146 31.656 ( -1.085 0.393 0.749) 1.375 31.709 ( -2.541 1.165 1.219) 3.050 31.742 ( -2.745 1.641 0.355) 3.218 31.946 ( -3.562 -1.998 -2.222) 4.649 36.864 ( -0.083 -1.780 0.744) 1.931 36.875 ( -0.391 -2.126 0.896) 2.340 36.949 ( 0.286 1.762 -0.965) 2.029 36.970 ( -0.020 1.368 -0.980) 1.683 64.344 ( -1.632 0.978 2.671) 3.280 64.395 ( 0.100 -0.230 2.555) 2.567 64.501 ( -4.255 5.442 -0.993) 6.979 64.945 ( -14.378 -4.823 -6.364) 16.447 100.363 ( 1.349 0.488 0.333) 1.473 100.386 ( 2.029 0.080 0.009) 2.031 100.435 ( 1.359 -0.214 -0.322) 1.413 100.447 ( 0.031 -0.489 -0.707) 0.861 ======================= Grid point 172 (64/120) ======================= q-point: ( 0.47 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -1.880 8.467 -2.695) 9.082 2.563 ( -0.753 22.967 -10.788) 25.386 2.852 ( -1.477 -7.660 -3.820) 8.686 3.099 ( 2.446 4.365 -5.102) 7.146 3.280 ( 0.623 -0.107 7.929) 7.955 3.617 ( 8.604 -8.642 -0.758) 12.218 3.794 ( 2.313 -2.630 -2.621) 4.375 3.849 ( -0.182 -2.214 -1.981) 2.976 3.913 ( -2.763 3.423 4.650) 6.401 4.123 ( 4.241 6.379 13.490) 15.513 4.396 ( 0.904 -3.530 0.368) 3.662 4.427 ( -0.074 13.641 1.470) 13.720 4.573 ( -2.668 7.869 -9.479) 12.605 4.744 ( 0.176 1.695 10.193) 10.334 4.775 ( 0.427 1.045 10.664) 10.724 5.137 ( 1.698 -4.677 -9.558) 10.776 5.339 ( -2.445 5.014 2.221) 6.005 5.436 ( -0.931 1.066 7.256) 7.392 5.520 ( -3.723 -0.440 -3.065) 4.842 5.803 ( 1.748 1.018 0.635) 2.120 5.865 ( 0.541 -0.763 2.637) 2.798 5.953 ( -1.079 -7.647 3.982) 8.689 6.216 ( 2.390 0.212 0.496) 2.450 6.243 ( 2.673 -3.107 0.084) 4.100 6.293 ( 0.308 -3.439 1.580) 3.797 6.314 ( 1.246 -1.043 -2.301) 2.817 6.711 ( 0.103 0.527 -8.123) 8.141 6.840 ( 0.997 -4.162 -12.308) 13.030 7.329 ( 2.390 -0.351 2.071) 3.181 7.390 ( 5.478 -3.555 0.091) 6.531 7.538 ( -0.545 -1.460 -2.803) 3.207 7.568 ( -0.309 0.356 -3.026) 3.062 14.008 ( 2.834 0.595 13.852) 14.151 14.103 ( 2.769 -1.404 20.056) 20.295 14.629 ( 3.008 6.684 1.628) 7.508 15.109 ( 3.197 -4.972 -1.144) 6.021 16.539 ( -2.234 3.893 0.096) 4.490 16.598 ( -2.030 3.350 -1.149) 4.082 16.782 ( -1.231 -2.782 2.323) 3.827 16.986 ( -1.141 -5.003 -2.161) 5.568 18.388 ( 0.610 0.678 3.621) 3.734 18.453 ( 0.789 -0.894 3.591) 3.784 18.804 ( 1.226 0.435 -4.302) 4.495 18.839 ( 1.330 -0.364 -3.730) 3.977 31.642 ( -0.342 -0.360 0.845) 0.980 31.661 ( -1.495 -0.296 2.403) 2.846 31.720 ( -0.366 3.079 -0.714) 3.182 31.899 ( -1.198 -1.673 -2.357) 3.129 36.863 ( -0.030 -1.999 0.737) 2.130 36.870 ( -0.133 -2.187 0.979) 2.400 36.953 ( 0.148 1.987 -1.095) 2.273 36.969 ( -0.005 1.636 -1.033) 1.935 64.310 ( -1.048 2.731 2.434) 3.805 64.398 ( -0.922 0.427 1.805) 2.071 64.504 ( 4.312 0.791 -1.912) 4.783 64.708 ( -9.343 -3.170 -4.062) 10.670 100.380 ( 0.461 0.523 0.222) 0.731 100.419 ( 1.391 -0.054 -0.169) 1.403 100.439 ( -0.679 -0.294 -0.370) 0.827 100.454 ( 0.450 -0.255 -0.265) 0.582 ======================= Grid point 180 (65/120) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 18.820 16.672) 25.142 1.777 ( 0.000 0.256 21.518) 21.519 1.896 ( 0.000 -2.653 15.228) 15.457 2.106 ( 0.000 -13.392 23.043) 26.652 2.735 ( 0.000 32.794 13.785) 35.574 2.792 ( 0.000 3.170 0.989) 3.320 2.888 ( 0.000 1.062 -5.935) 6.030 2.982 ( 0.000 4.574 -11.588) 12.458 3.231 ( 0.000 1.534 -12.008) 12.106 3.619 ( 0.000 -13.862 3.884) 14.395 3.938 ( 0.000 -2.001 2.960) 3.573 4.020 ( 0.000 -23.223 4.367) 23.630 4.172 ( 0.000 8.859 -2.590) 9.230 4.302 ( 0.000 -4.411 -6.013) 7.458 4.684 ( 0.000 10.296 -0.796) 10.326 4.769 ( 0.000 1.970 4.703) 5.098 4.877 ( 0.000 12.638 5.575) 13.813 5.083 ( 0.000 -4.889 2.980) 5.726 5.321 ( 0.000 5.136 2.238) 5.603 5.359 ( 0.000 -7.350 -8.520) 11.253 5.464 ( 0.000 -6.193 -5.982) 8.610 5.477 ( 0.000 -3.637 1.708) 4.019 5.845 ( 0.000 -4.250 -6.514) 7.778 5.854 ( 0.000 -4.772 -4.713) 6.707 6.273 ( 0.000 5.094 1.883) 5.431 6.323 ( 0.000 0.544 1.806) 1.886 6.505 ( 0.000 4.764 6.723) 8.240 6.589 ( 0.000 -3.070 8.815) 9.334 7.327 ( 0.000 18.321 -16.791) 24.852 7.371 ( 0.000 3.046 -3.746) 4.828 7.461 ( 0.000 -6.148 -1.700) 6.379 7.611 ( 0.000 -10.507 -13.791) 17.338 12.831 ( 0.000 11.226 23.346) 25.905 13.196 ( 0.000 -28.812 28.153) 40.283 13.387 ( 0.000 9.161 6.082) 10.996 13.582 ( 0.000 -10.417 7.401) 12.778 17.407 ( 0.000 0.257 0.026) 0.258 17.409 ( 0.000 -0.004 0.622) 0.622 17.488 ( 0.000 2.022 -1.772) 2.688 17.514 ( 0.000 -0.842 -1.424) 1.654 18.256 ( 0.000 0.492 0.050) 0.495 18.268 ( 0.000 -0.617 0.151) 0.635 18.290 ( 0.000 0.535 -0.750) 0.922 18.303 ( 0.000 -0.821 -0.482) 0.952 31.980 ( 0.000 11.917 2.136) 12.106 32.214 ( 0.000 -11.735 2.475) 11.993 32.495 ( 0.000 12.566 -13.257) 18.267 32.640 ( 0.000 -3.648 -7.811) 8.621 36.896 ( 0.000 0.358 0.590) 0.690 36.915 ( 0.000 -1.508 0.239) 1.526 37.022 ( 0.000 0.641 -2.837) 2.908 37.027 ( 0.000 0.090 -2.549) 2.550 64.736 ( 0.000 9.708 7.754) 12.425 64.917 ( 0.000 -8.562 10.196) 13.314 66.134 ( 0.000 24.313 -29.973) 38.594 66.458 ( 0.000 -10.838 -24.567) 26.851 100.141 ( 0.000 0.240 0.221) 0.326 100.146 ( 0.000 -0.262 0.260) 0.369 100.155 ( 0.000 0.291 -0.222) 0.366 100.159 ( 0.000 -0.065 -0.061) 0.089 ======================= Grid point 181 (66/120) ======================= q-point: ( 0.07 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 11.750 17.230 15.399) 25.924 1.866 ( 8.732 3.793 20.777) 22.854 1.985 ( 8.533 -5.013 13.519) 16.754 2.184 ( 7.756 -13.441 21.310) 26.362 2.811 ( 7.639 25.203 10.485) 28.346 2.848 ( 5.510 6.075 3.212) 8.808 2.934 ( 4.717 2.485 -5.513) 7.669 3.032 ( 4.983 4.800 -11.696) 13.589 3.274 ( 4.454 2.318 -11.102) 12.184 3.643 ( 2.346 -10.611 4.004) 11.581 3.944 ( 0.487 -1.697 2.607) 3.148 4.047 ( 2.884 -23.371 3.306) 23.780 4.187 ( 1.656 8.832 -1.595) 9.127 4.333 ( 3.094 -4.995 -6.130) 8.491 4.726 ( 4.295 9.288 -0.313) 10.238 4.794 ( 2.568 3.732 5.171) 6.875 4.900 ( 2.073 10.470 5.222) 11.882 5.068 ( -0.537 -1.919 2.623) 3.294 5.333 ( 0.772 -5.303 -3.633) 6.475 5.381 ( 0.749 -8.258 -4.487) 9.428 5.495 ( 5.215 1.367 -4.077) 6.759 5.537 ( 5.594 -2.853 1.359) 6.424 5.889 ( 4.496 -2.871 -5.823) 7.897 5.926 ( 6.048 -5.085 -5.591) 9.680 6.281 ( 0.645 4.573 2.067) 5.060 6.329 ( 0.536 -0.196 2.032) 2.110 6.504 ( 0.089 4.521 6.349) 7.795 6.583 ( -0.541 -2.906 8.297) 8.808 7.266 ( -6.091 14.655 -15.775) 22.377 7.334 ( -4.110 1.920 -3.354) 5.642 7.439 ( -2.016 -2.796 -3.269) 4.750 7.567 ( -3.765 -8.668 -12.346) 15.547 12.871 ( 4.198 9.902 22.819) 25.227 13.180 ( -0.928 -23.427 27.626) 36.234 13.448 ( 6.137 9.068 5.720) 12.353 13.638 ( 5.788 -10.132 6.783) 13.497 17.369 ( -3.287 1.597 0.429) 3.680 17.397 ( -1.844 -1.371 -0.060) 2.298 17.446 ( -4.142 1.675 -1.392) 4.680 17.471 ( -4.259 -0.932 -1.261) 4.539 18.250 ( -0.346 0.108 0.571) 0.676 18.254 ( -0.507 -0.244 0.467) 0.731 18.328 ( 2.975 0.117 -1.089) 3.170 18.332 ( 2.703 -0.349 -1.034) 2.915 31.966 ( -1.490 11.382 2.012) 11.655 32.189 ( -2.549 -11.204 2.358) 11.730 32.416 ( -7.407 13.301 -10.811) 18.672 32.579 ( -5.986 -4.525 -6.912) 10.202 36.894 ( -0.225 0.469 0.557) 0.762 36.914 ( -0.162 -1.487 0.250) 1.517 37.006 ( -1.347 0.554 -2.194) 2.634 37.014 ( -1.248 -0.140 -2.165) 2.503 64.707 ( -2.801 9.328 7.641) 12.379 64.883 ( -3.463 -8.278 10.027) 13.456 65.998 ( -12.803 25.476 -25.302) 38.120 66.356 ( -10.213 -12.670 -22.853) 28.056 100.151 ( 1.136 0.160 0.334) 1.195 100.153 ( 1.100 -0.034 0.396) 1.169 100.183 ( 2.400 0.566 -0.374) 2.494 100.197 ( 3.354 -0.946 -0.817) 3.579 ======================= Grid point 182 (67/120) ======================= q-point: ( 0.13 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 14.211 14.665 14.062) 24.794 2.092 ( 13.815 6.327 16.754) 22.618 2.187 ( 11.161 -5.367 12.055) 17.283 2.390 ( 12.789 -13.311 16.522) 24.774 2.977 ( 8.169 3.995 2.477) 9.425 3.012 ( 10.743 11.211 1.939) 15.648 3.067 ( 8.684 7.318 -4.356) 12.163 3.170 ( 9.102 5.231 -8.064) 13.238 3.400 ( 8.416 6.902 -7.192) 13.046 3.700 ( 3.281 -2.519 4.319) 5.980 3.947 ( -0.238 0.137 2.358) 2.374 4.138 ( 6.377 -26.808 1.934) 27.624 4.238 ( 3.731 11.085 -0.184) 11.698 4.416 ( 5.260 -5.554 -6.344) 9.938 4.841 ( 6.949 6.604 1.093) 9.648 4.872 ( 5.503 8.578 6.172) 11.914 4.950 ( 3.138 5.055 3.932) 7.132 5.089 ( 2.894 -1.775 1.971) 3.926 5.356 ( 1.771 -7.430 -6.691) 10.154 5.395 ( 1.491 -9.657 -5.412) 11.170 5.634 ( 7.897 2.681 0.738) 8.372 5.689 ( 9.409 -2.102 -0.597) 9.659 5.993 ( 5.372 -1.039 -4.636) 7.172 6.041 ( 4.851 -3.676 -4.795) 7.748 6.290 ( 0.069 3.327 3.050) 4.514 6.332 ( -0.630 -1.127 3.161) 3.414 6.523 ( 2.133 3.045 3.947) 5.423 6.572 ( -0.390 -1.631 6.294) 6.513 7.111 ( -9.109 9.078 -11.631) 17.340 7.204 ( -8.690 -2.604 -4.580) 10.162 7.401 ( -1.465 2.937 -5.266) 6.205 7.501 ( -2.393 -4.703 -10.389) 11.652 12.997 ( 8.806 7.052 21.449) 24.235 13.196 ( 3.399 -13.782 25.694) 29.355 13.620 ( 11.367 8.875 4.811) 15.203 13.802 ( 10.925 -9.480 5.269) 15.394 17.282 ( -5.560 2.435 0.340) 6.080 17.330 ( -6.466 -1.336 -0.598) 6.630 17.342 ( -4.936 -0.273 -0.773) 5.004 17.357 ( -7.114 -0.787 -0.865) 7.209 18.250 ( 0.458 0.084 1.233) 1.318 18.254 ( 0.590 -0.299 1.072) 1.259 18.397 ( 4.111 0.094 -1.742) 4.466 18.400 ( 4.149 -0.164 -1.779) 4.517 31.925 ( -2.631 9.893 1.703) 10.378 32.119 ( -4.581 -9.631 2.055) 10.861 32.245 ( -9.332 13.161 -6.441) 17.372 32.427 ( -9.105 -5.987 -4.963) 11.974 36.888 ( -0.460 0.613 0.544) 0.941 36.907 ( -0.595 -1.339 0.325) 1.501 36.980 ( -1.184 0.149 -1.306) 1.769 36.986 ( -1.351 -0.395 -1.363) 1.959 64.633 ( -4.635 8.235 7.237) 11.903 64.790 ( -5.898 -7.433 9.491) 13.420 65.698 ( -16.812 25.234 -17.357) 34.938 66.088 ( -16.469 -15.276 -18.627) 29.182 100.184 ( 2.230 0.193 0.471) 2.288 100.187 ( 2.275 -0.031 0.548) 2.340 100.240 ( 3.290 1.153 -0.767) 3.569 100.271 ( 3.847 -1.998 -1.548) 4.603 ======================= Grid point 183 (68/120) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 13.027 12.117 11.576) 21.226 2.363 ( 11.752 -7.673 11.073) 17.878 2.401 ( 12.185 10.789 11.374) 19.855 2.646 ( 12.985 -12.366 12.734) 21.993 3.138 ( 8.140 6.946 1.317) 10.782 3.201 ( 8.596 0.643 -6.288) 10.670 3.234 ( 7.267 4.921 -8.405) 12.152 3.345 ( 6.849 -2.508 -5.975) 9.428 3.600 ( 11.821 16.661 1.703) 20.499 3.766 ( 3.783 4.187 4.930) 7.493 3.954 ( 1.882 2.775 3.718) 5.007 4.255 ( 4.707 -21.824 6.038) 23.128 4.367 ( 9.999 6.829 -4.510) 12.921 4.531 ( 6.520 -4.012 -6.053) 9.759 4.959 ( 3.516 6.616 3.592) 8.308 4.972 ( 4.084 7.206 4.490) 9.421 5.051 ( 8.164 1.343 2.798) 8.734 5.194 ( 8.594 -5.369 0.986) 10.181 5.410 ( 3.922 -4.964 -6.182) 8.846 5.450 ( 4.182 -8.489 -5.335) 10.864 5.774 ( 5.543 4.228 0.582) 6.996 5.858 ( 6.810 -3.610 -1.970) 7.956 6.064 ( 1.155 -1.082 -0.443) 1.643 6.093 ( 0.276 -3.196 -1.372) 3.489 6.281 ( -0.796 2.287 3.600) 4.338 6.308 ( -1.222 -0.233 2.512) 2.804 6.563 ( 1.216 3.319 0.207) 3.541 6.600 ( 4.698 -0.013 4.278) 6.354 6.939 ( -7.986 4.267 -7.345) 11.660 7.041 ( -6.954 -6.433 -3.265) 10.020 7.397 ( 1.363 5.555 -7.335) 9.301 7.482 ( 0.360 -2.446 -10.210) 10.505 13.208 ( 12.560 4.451 19.766) 23.838 13.321 ( 9.204 -7.073 23.036) 25.796 13.877 ( 14.718 8.777 3.708) 17.533 14.052 ( 14.458 -8.853 3.541) 17.319 17.157 ( -7.151 1.805 0.297) 7.381 17.172 ( -9.073 0.277 -0.271) 9.081 17.204 ( -8.268 0.555 -0.647) 8.312 17.243 ( -5.770 -3.267 -1.151) 6.730 18.268 ( 1.351 0.304 1.843) 2.305 18.276 ( 1.596 -0.480 1.684) 2.369 18.486 ( 4.952 0.189 -2.433) 5.521 18.490 ( 5.064 -0.223 -2.447) 5.628 31.867 ( -3.300 7.738 1.358) 8.522 32.016 ( -5.920 -6.605 1.616) 9.016 32.076 ( -7.695 10.245 -3.251) 13.219 32.246 ( -9.123 -6.499 -3.194) 11.648 36.876 ( -0.703 0.394 0.685) 1.058 36.890 ( -1.036 -1.109 0.580) 1.625 36.963 ( -0.558 0.106 -0.963) 1.118 36.970 ( -0.303 -0.509 -0.954) 1.123 64.537 ( -5.054 6.596 6.453) 10.521 64.664 ( -6.768 -6.090 8.543) 12.485 65.376 ( -15.984 21.907 -11.590) 29.492 65.746 ( -18.245 -15.751 -14.180) 27.965 100.234 ( 2.770 0.258 0.562) 2.838 100.237 ( 2.796 -0.030 0.626) 2.866 100.304 ( 3.179 1.337 -0.959) 3.579 100.339 ( 3.049 -2.147 -1.646) 4.077 ======================= Grid point 184 (69/120) ======================= q-point: ( 0.27 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 10.442 8.532 6.859) 15.128 2.505 ( 4.148 -4.229 5.042) 7.779 2.671 ( 13.960 11.634 11.189) 21.341 2.886 ( 11.647 -10.408 11.036) 19.125 3.258 ( 2.729 6.359 -6.328) 9.377 3.308 ( -1.321 2.457 -10.182) 10.558 3.351 ( 7.628 0.529 -3.349) 8.348 3.433 ( 5.189 -5.378 -4.034) 8.492 3.808 ( 8.471 12.183 4.551) 15.521 3.876 ( 7.784 7.366 5.141) 11.886 4.042 ( 6.917 3.787 5.483) 9.605 4.340 ( 4.425 -15.397 7.248) 17.583 4.572 ( 9.523 5.937 -7.115) 13.288 4.669 ( 7.722 -0.314 -3.209) 8.368 4.981 ( -0.279 4.636 2.142) 5.115 5.021 ( 0.608 -1.152 1.199) 1.770 5.250 ( 11.774 4.645 4.420) 13.407 5.412 ( 12.626 -7.425 0.287) 14.650 5.500 ( 4.824 -1.036 -3.885) 6.280 5.546 ( 5.200 -6.837 -3.428) 9.248 5.808 ( -2.204 5.870 -1.120) 6.370 5.916 ( -1.425 -4.531 -2.673) 5.451 6.027 ( -3.845 -1.550 2.638) 4.913 6.060 ( -2.863 -5.281 3.936) 7.182 6.260 ( -1.073 3.455 2.023) 4.145 6.306 ( 0.660 -0.626 -0.089) 0.914 6.624 ( 4.646 5.316 -2.561) 7.510 6.736 ( 9.134 -2.490 3.251) 10.010 6.819 ( -4.012 3.301 -5.457) 7.535 6.965 ( -0.282 -8.028 -0.180) 8.035 7.450 ( 3.600 4.633 -8.058) 9.968 7.507 ( 1.901 -1.322 -9.723) 9.995 13.469 ( 13.817 2.818 18.272) 23.081 13.535 ( 12.227 -3.831 20.851) 24.474 14.174 ( 15.422 8.890 2.668) 18.000 14.347 ( 15.441 -8.515 2.060) 17.753 16.991 ( -9.259 1.277 -0.005) 9.346 17.013 ( -7.530 -0.304 0.546) 7.556 17.042 ( -8.297 2.915 -0.832) 8.833 17.124 ( -6.334 -4.708 -1.518) 8.037 18.301 ( 2.015 0.588 2.414) 3.199 18.314 ( 2.287 -0.722 2.296) 3.320 18.586 ( 5.288 0.322 -3.076) 6.126 18.593 ( 5.427 -0.341 -3.033) 6.227 31.799 ( -3.600 5.291 1.156) 6.503 31.897 ( -6.090 -3.316 1.388) 7.072 31.949 ( -5.510 6.678 -1.664) 8.817 32.085 ( -7.296 -5.925 -2.185) 9.649 36.862 ( -0.752 -0.079 0.931) 1.199 36.870 ( -0.962 -1.041 0.916) 1.688 36.959 ( 0.147 0.605 -0.997) 1.175 36.970 ( 0.259 -0.459 -1.065) 1.188 64.446 ( -4.098 4.641 5.303) 8.152 64.537 ( -6.090 -4.373 7.205) 10.398 65.085 ( -13.973 17.413 -7.952) 23.699 65.397 ( -17.395 -14.132 -10.523) 24.759 100.288 ( 2.763 0.321 0.591) 2.843 100.292 ( 2.788 -0.007 0.574) 2.846 100.360 ( 2.588 1.058 -0.928) 2.946 100.388 ( 2.083 -1.714 -1.377) 3.028 ======================= Grid point 185 (70/120) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.749 7.774 2.226) 8.121 2.570 ( 4.823 0.331 0.987) 4.934 2.919 ( 11.069 8.756 9.337) 16.922 3.094 ( 9.234 -8.626 8.526) 15.244 3.198 ( -6.725 6.422 -9.813) 13.519 3.270 ( -0.784 -0.527 -9.272) 9.320 3.514 ( 8.460 -0.170 -1.391) 8.575 3.564 ( 7.515 -3.837 0.002) 8.438 3.944 ( 5.833 8.091 4.310) 10.865 4.022 ( 6.541 4.804 3.870) 8.991 4.191 ( 7.558 3.621 5.715) 10.144 4.428 ( 4.623 -13.738 6.233) 15.778 4.701 ( 3.860 12.789 -3.762) 13.879 4.815 ( 6.175 3.246 -1.495) 7.134 4.963 ( -1.167 0.388 0.858) 1.499 5.000 ( -2.777 -1.950 -0.913) 3.514 5.463 ( 7.350 5.389 4.130) 10.006 5.559 ( 2.057 0.998 -0.254) 2.300 5.611 ( 1.555 -1.529 -2.031) 2.981 5.640 ( 6.534 -7.937 -0.497) 10.293 5.760 ( 0.137 0.507 0.703) 0.878 5.829 ( -4.197 -4.442 -3.100) 6.853 5.994 ( 1.329 -3.238 1.983) 4.023 6.012 ( -0.922 -4.017 4.681) 6.237 6.249 ( -0.140 4.238 1.203) 4.408 6.314 ( -0.043 -2.050 0.149) 2.056 6.688 ( 1.538 2.724 -5.205) 6.073 6.765 ( -1.149 -2.482 -8.290) 8.730 6.957 ( 12.167 1.357 3.941) 12.861 7.045 ( 7.807 -5.132 1.766) 9.508 7.516 ( 2.703 2.490 -7.384) 8.248 7.542 ( 1.484 -0.638 -7.903) 8.066 13.725 ( 12.094 2.033 17.181) 21.109 13.771 ( 11.499 -2.565 19.493) 22.777 14.457 ( 13.304 9.171 1.781) 16.257 14.632 ( 13.496 -8.479 0.931) 15.966 16.822 ( -7.875 2.611 0.174) 8.299 16.874 ( -6.526 -2.601 0.903) 7.083 16.890 ( -7.190 5.395 -1.121) 9.059 17.005 ( -5.705 -6.106 -1.714) 8.530 18.343 ( 2.199 0.856 2.944) 3.773 18.361 ( 2.447 -0.974 2.873) 3.898 18.686 ( 4.853 0.470 -3.607) 6.065 18.696 ( 4.991 -0.469 -3.494) 6.111 31.730 ( -3.363 3.007 1.200) 4.668 31.786 ( -5.214 -2.255 1.677) 5.924 31.862 ( -3.501 5.448 -1.357) 6.617 31.966 ( -4.986 -4.785 -1.874) 7.160 36.848 ( -0.569 -0.428 1.146) 1.349 36.854 ( -0.692 -1.033 1.191) 1.722 36.966 ( 0.502 0.917 -1.234) 1.617 36.977 ( 0.405 -0.168 -1.291) 1.364 64.385 ( -2.082 2.574 3.888) 5.107 64.436 ( -4.149 -2.423 5.549) 7.341 64.837 ( -11.460 12.995 -5.369) 18.139 65.079 ( -15.148 -11.405 -7.569) 20.416 100.338 ( 2.277 0.449 0.538) 2.382 100.343 ( 2.431 -0.050 0.425) 2.469 100.403 ( 1.847 0.536 -0.772) 2.073 100.420 ( 1.229 -1.106 -1.033) 1.950 ======================= Grid point 186 (71/120) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -3.401 13.413 -0.194) 13.839 2.647 ( 2.031 -5.991 -1.666) 6.542 3.050 ( -5.774 9.785 -11.043) 15.844 3.082 ( 5.434 4.223 1.572) 7.059 3.256 ( 2.798 -1.298 4.310) 5.300 3.299 ( 6.726 -6.575 -0.446) 9.416 3.660 ( 6.552 -0.221 -1.851) 6.812 3.710 ( 6.628 -4.585 2.118) 8.333 4.028 ( 2.720 7.938 3.789) 9.207 4.131 ( 5.019 1.435 3.766) 6.437 4.313 ( 4.569 4.261 6.616) 9.100 4.517 ( 4.550 -11.211 5.641) 13.350 4.737 ( 0.372 15.138 -1.295) 15.198 4.851 ( -2.699 7.345 -0.462) 7.839 4.911 ( -5.009 1.622 2.056) 5.652 4.978 ( 1.954 -7.607 -2.825) 8.346 5.474 ( -1.837 4.192 1.344) 4.770 5.524 ( -4.543 1.265 0.611) 4.755 5.620 ( -3.391 1.345 2.840) 4.623 5.703 ( 3.817 -5.399 1.397) 6.758 5.796 ( 2.537 -1.058 0.113) 2.751 5.837 ( 1.332 -5.229 -0.429) 5.413 6.052 ( 5.933 -1.364 2.410) 6.548 6.094 ( 6.438 -5.055 -0.284) 8.190 6.253 ( 0.595 2.892 0.739) 3.044 6.305 ( -0.739 -1.965 0.617) 2.188 6.705 ( 0.650 1.091 -6.734) 6.852 6.756 ( -0.151 -3.382 -8.853) 9.478 7.183 ( 10.496 0.121 1.708) 10.635 7.212 ( 8.260 -1.955 1.265) 8.582 7.541 ( -0.158 0.899 -5.924) 5.994 7.560 ( 0.206 -0.854 -5.385) 5.457 13.923 ( 8.073 1.748 16.488) 18.441 13.963 ( 7.913 -2.175 18.773) 20.488 14.675 ( 8.885 9.468 1.085) 13.029 14.855 ( 9.070 -8.584 0.119) 12.488 16.693 ( -5.254 3.829 0.297) 6.508 16.766 ( -4.528 -0.797 0.479) 4.623 16.771 ( -4.742 3.749 -0.536) 6.069 16.910 ( -3.948 -7.265 -1.762) 8.454 18.382 ( 1.732 1.068 3.375) 3.941 18.405 ( 1.913 -1.191 3.344) 4.032 18.769 ( 3.469 0.603 -3.975) 5.310 18.780 ( 3.573 -0.578 -3.797) 5.246 31.674 ( -2.329 1.304 1.373) 3.002 31.700 ( -3.527 -1.222 1.922) 4.199 31.810 ( -1.868 4.341 -1.364) 4.919 31.890 ( -2.880 -3.683 -1.905) 5.049 36.840 ( -0.324 -0.631 1.292) 1.474 36.843 ( -0.408 -1.005 1.373) 1.750 36.976 ( 0.477 1.001 -1.480) 1.849 36.985 ( 0.334 0.157 -1.496) 1.540 64.365 ( -0.290 1.116 2.754) 2.985 64.384 ( -0.773 -0.827 3.303) 3.491 64.645 ( -8.078 8.809 -3.286) 12.396 64.815 ( -11.906 -8.256 -5.072) 15.350 100.375 ( 1.479 0.672 0.384) 1.669 100.385 ( 1.805 -0.275 0.298) 1.850 100.432 ( 1.010 0.016 -0.610) 1.180 100.437 ( 0.559 -0.496 -0.724) 1.041 ======================= Grid point 187 (72/120) ======================= q-point: ( 0.47 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -1.652 15.294 -1.211) 15.431 2.655 ( -0.466 -11.109 -2.162) 11.327 2.979 ( -1.650 15.903 -12.707) 20.423 3.140 ( 1.200 -1.219 -8.351) 8.525 3.294 ( 1.345 2.378 8.086) 8.535 3.419 ( 3.869 -10.211 3.816) 11.567 3.761 ( 3.456 -0.383 -0.507) 3.514 3.786 ( 1.046 -2.700 0.931) 3.041 4.057 ( 0.515 9.159 2.965) 9.641 4.224 ( 3.961 -5.775 2.702) 7.506 4.357 ( 0.197 10.689 10.714) 15.136 4.602 ( 3.820 -9.939 8.496) 13.622 4.729 ( -0.730 12.085 -4.327) 12.857 4.760 ( -4.829 7.760 -5.053) 10.444 4.842 ( -1.772 2.237 7.828) 8.332 5.002 ( 0.402 -9.537 -3.894) 10.309 5.457 ( -0.005 4.121 1.938) 4.554 5.468 ( -0.981 1.804 1.539) 2.566 5.546 ( -2.961 5.935 1.210) 6.742 5.741 ( 0.396 -10.759 4.074) 11.511 5.837 ( 1.335 0.161 0.300) 1.377 5.852 ( 0.406 -1.302 1.624) 2.121 6.163 ( 3.710 -1.968 0.535) 4.234 6.187 ( 2.384 -3.600 -0.677) 4.371 6.271 ( 0.955 0.784 0.284) 1.268 6.291 ( -0.520 -1.196 -0.238) 1.326 6.716 ( 0.358 0.408 -7.546) 7.566 6.754 ( -0.085 -3.730 -9.272) 9.994 7.332 ( 3.846 0.612 0.365) 3.912 7.347 ( 5.342 -1.085 -0.377) 5.464 7.518 ( -1.689 0.361 -3.569) 3.965 7.550 ( -0.806 -2.087 -3.863) 4.465 14.030 ( 2.812 1.678 16.145) 16.474 14.068 ( 2.788 -2.095 18.464) 18.790 14.793 ( 3.102 9.643 0.679) 10.153 14.975 ( 3.171 -8.669 -0.336) 9.237 16.624 ( -1.839 4.565 0.374) 4.936 16.703 ( -1.730 7.055 -1.173) 7.358 16.711 ( -1.534 -4.025 1.268) 4.491 16.857 ( -1.408 -7.929 -1.744) 8.240 18.406 ( 0.661 1.188 3.623) 3.870 18.431 ( 0.729 -1.320 3.613) 3.915 18.815 ( 1.265 0.684 -4.158) 4.400 18.829 ( 1.305 -0.642 -3.941) 4.201 31.643 ( -0.806 0.387 1.495) 1.742 31.653 ( -1.253 -0.539 2.060) 2.471 31.787 ( -0.590 3.666 -1.412) 3.972 31.853 ( -0.945 -3.051 -1.984) 3.760 36.836 ( -0.102 -0.730 1.365) 1.551 36.838 ( -0.135 -0.976 1.465) 1.766 36.983 ( 0.191 0.995 -1.629) 1.919 36.989 ( 0.127 0.363 -1.613) 1.658 64.366 ( 0.579 2.592 1.824) 3.221 64.398 ( 0.879 -0.671 1.360) 1.753 64.542 ( -1.720 3.399 -1.997) 4.301 64.627 ( -6.988 -4.839 -2.999) 9.013 100.394 ( 0.513 0.864 0.254) 1.036 100.411 ( 0.813 -0.771 0.244) 1.147 100.439 ( -0.019 0.302 -0.618) 0.688 100.447 ( 0.340 -0.444 -0.447) 0.716 ======================= Grid point 225 (73/120) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 0.000 24.677) 24.677 1.507 ( 0.000 0.000 25.187) 25.187 2.360 ( 0.000 0.000 -16.380) 16.380 2.420 ( 0.000 0.000 -21.492) 21.492 2.490 ( 0.000 0.000 16.338) 16.338 2.840 ( 0.000 0.000 32.412) 32.412 2.897 ( 0.000 0.000 24.987) 24.987 3.062 ( 0.000 0.000 -14.470) 14.470 3.187 ( 0.000 0.000 16.096) 16.096 3.462 ( 0.000 0.000 -1.316) 1.316 3.899 ( 0.000 0.000 -20.812) 20.812 3.899 ( 0.000 0.000 -4.096) 4.096 4.090 ( 0.000 0.000 -1.164) 1.164 4.191 ( 0.000 0.000 -16.793) 16.793 4.666 ( 0.000 0.000 10.865) 10.865 4.828 ( 0.000 0.000 7.558) 7.558 4.950 ( 0.000 0.000 -2.624) 2.624 4.999 ( 0.000 0.000 -2.176) 2.176 5.348 ( 0.000 0.000 4.799) 4.799 5.492 ( 0.000 0.000 -1.331) 1.331 5.743 ( 0.000 0.000 0.280) 0.280 5.805 ( 0.000 0.000 3.383) 3.383 5.889 ( 0.000 0.000 -4.556) 4.556 5.927 ( 0.000 0.000 -3.333) 3.333 5.944 ( 0.000 0.000 -2.820) 2.820 6.204 ( 0.000 0.000 1.524) 1.524 6.305 ( 0.000 0.000 -19.646) 19.646 6.336 ( 0.000 0.000 -5.012) 5.012 6.855 ( 0.000 0.000 10.947) 10.947 7.207 ( 0.000 0.000 -7.261) 7.261 7.702 ( 0.000 0.000 2.186) 2.186 7.739 ( 0.000 0.000 0.080) 0.080 13.016 ( 0.000 0.000 15.433) 15.433 13.277 ( 0.000 0.000 1.703) 1.703 14.067 ( 0.000 0.000 13.042) 13.042 14.555 ( 0.000 0.000 -10.982) 10.982 17.344 ( 0.000 0.000 1.413) 1.413 17.395 ( 0.000 0.000 -1.080) 1.080 17.433 ( 0.000 0.000 1.515) 1.515 17.498 ( 0.000 0.000 -1.656) 1.656 18.247 ( 0.000 0.000 0.029) 0.029 18.261 ( 0.000 0.000 -0.767) 0.767 18.292 ( 0.000 0.000 0.630) 0.630 18.325 ( 0.000 0.000 -0.986) 0.986 31.715 ( 0.000 0.000 0.578) 0.578 31.743 ( 0.000 0.000 -0.790) 0.790 32.529 ( 0.000 0.000 1.409) 1.409 32.601 ( 0.000 0.000 -2.217) 2.217 36.928 ( 0.000 0.000 1.351) 1.351 36.974 ( 0.000 0.000 0.168) 0.168 36.984 ( 0.000 0.000 -0.299) 0.299 36.987 ( 0.000 0.000 -1.480) 1.480 64.606 ( 0.000 0.000 5.359) 5.359 64.832 ( 0.000 0.000 -5.730) 5.730 65.385 ( 0.000 0.000 17.821) 17.821 66.214 ( 0.000 0.000 -23.030) 23.030 100.139 ( 0.000 0.000 0.132) 0.132 100.141 ( 0.000 0.000 0.027) 0.027 100.158 ( 0.000 0.000 0.200) 0.200 100.160 ( 0.000 0.000 0.089) 0.089 ======================= Grid point 226 (74/120) ======================= q-point: ( 0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 8.039 0.000 22.434) 23.831 1.630 ( 11.408 0.000 22.272) 25.023 2.400 ( 3.906 0.000 -14.868) 15.373 2.499 ( 7.578 0.000 -20.298) 21.667 2.565 ( 7.489 0.000 14.627) 16.433 2.899 ( 6.376 0.000 30.537) 31.195 2.971 ( 7.169 0.000 24.383) 25.415 3.112 ( 4.765 0.000 -13.951) 14.742 3.228 ( 4.093 0.000 16.113) 16.625 3.471 ( 0.883 0.000 -0.955) 1.301 3.866 ( -2.469 0.000 -4.023) 4.720 3.948 ( 4.272 0.000 -19.632) 20.092 4.093 ( 0.413 0.000 -0.954) 1.039 4.232 ( 4.250 0.000 -16.087) 16.639 4.662 ( -0.160 0.000 9.758) 9.760 4.865 ( 3.741 0.000 8.329) 9.131 4.970 ( 2.018 0.000 -4.246) 4.701 5.082 ( 7.887 0.000 -3.326) 8.560 5.378 ( 2.960 0.000 3.350) 4.470 5.492 ( 0.112 0.000 -1.068) 1.074 5.761 ( 1.846 0.000 0.886) 2.047 5.792 ( -1.240 0.000 2.381) 2.685 5.894 ( 0.661 0.000 -1.943) 2.052 5.981 ( 5.221 0.000 -3.062) 6.053 6.001 ( 5.808 0.000 -2.738) 6.421 6.261 ( -3.402 0.000 -16.852) 17.192 6.279 ( 6.920 0.000 0.067) 6.920 6.375 ( 3.089 0.000 -5.571) 6.370 6.849 ( -0.576 0.000 10.678) 10.694 7.198 ( -0.936 0.000 -7.250) 7.310 7.639 ( -6.391 0.000 1.591) 6.586 7.655 ( -8.194 0.000 0.461) 8.206 13.067 ( 5.239 0.000 15.319) 16.190 13.332 ( 5.638 0.000 1.452) 5.821 14.081 ( 1.709 0.000 10.648) 10.784 14.373 ( -15.726 0.000 -1.449) 15.793 17.320 ( -2.425 0.000 1.408) 2.804 17.369 ( -2.708 0.000 -0.874) 2.845 17.424 ( -1.288 0.000 0.017) 1.289 17.460 ( -3.865 0.000 -1.344) 4.092 18.260 ( 1.168 0.000 0.259) 1.196 18.264 ( 0.490 0.000 0.225) 0.539 18.313 ( 1.952 0.000 -0.427) 1.998 18.332 ( 0.884 0.000 -1.042) 1.367 31.713 ( -0.245 0.000 0.559) 0.611 31.740 ( -0.324 0.000 -0.770) 0.835 32.489 ( -4.001 0.000 1.483) 4.267 32.562 ( -3.889 0.000 -2.184) 4.460 36.921 ( -0.635 0.000 1.363) 1.504 36.970 ( -0.517 0.000 -0.163) 0.542 36.981 ( -0.267 0.000 -0.271) 0.381 36.983 ( -0.371 0.000 -1.130) 1.189 64.588 ( -1.799 0.000 5.249) 5.548 64.809 ( -2.327 0.000 -5.563) 6.030 65.342 ( -4.335 0.000 17.429) 17.960 66.154 ( -6.190 0.000 -22.604) 23.436 100.151 ( 1.252 0.000 0.190) 1.266 100.154 ( 1.297 0.000 0.140) 1.304 100.177 ( 1.865 0.000 0.244) 1.880 100.198 ( 3.477 0.000 -1.009) 3.620 ======================= Grid point 227 (75/120) ======================= q-point: ( 0.13 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 13.094 0.000 17.622) 21.954 1.887 ( 13.711 0.000 17.097) 21.916 2.497 ( 5.488 0.000 -8.366) 10.005 2.680 ( 10.133 0.000 -17.926) 20.592 2.763 ( 12.108 0.000 7.962) 14.491 3.067 ( 9.272 0.000 22.007) 23.880 3.170 ( 13.709 0.000 23.853) 27.512 3.218 ( 4.951 0.000 -12.272) 13.233 3.343 ( 7.759 0.000 17.078) 18.759 3.491 ( 1.061 0.000 0.091) 1.065 3.824 ( -0.847 0.000 -1.369) 1.610 4.055 ( 6.340 0.000 -19.510) 20.515 4.118 ( 2.695 0.000 0.155) 2.700 4.355 ( 8.259 0.000 -13.591) 15.903 4.666 ( 0.503 0.000 6.725) 6.744 4.962 ( 5.350 0.000 7.745) 9.413 5.025 ( 3.892 0.000 -6.997) 8.007 5.271 ( 10.574 0.000 -5.392) 11.870 5.454 ( 4.655 0.000 0.757) 4.716 5.501 ( 0.988 0.000 0.273) 1.026 5.768 ( -0.875 0.000 0.794) 1.182 5.814 ( 3.471 0.000 1.388) 3.738 5.921 ( 2.103 0.000 1.211) 2.427 6.112 ( 7.671 0.000 -2.292) 8.006 6.149 ( 8.539 0.000 -2.011) 8.772 6.187 ( -3.765 0.000 -13.693) 14.201 6.439 ( 9.003 0.000 -0.193) 9.005 6.458 ( 5.584 0.000 -1.992) 5.929 6.833 ( -1.163 0.000 9.688) 9.758 7.173 ( -1.493 0.000 -7.325) 7.475 7.455 ( -11.072 0.000 -0.463) 11.081 7.466 ( -10.972 0.000 0.054) 10.972 13.216 ( 9.956 0.000 14.952) 17.963 13.490 ( 10.360 0.000 0.827) 10.393 14.086 ( -11.157 0.000 12.076) 16.441 14.147 ( 5.469 0.000 5.338) 7.643 17.251 ( -4.737 0.000 1.306) 4.914 17.287 ( -5.819 0.000 -0.552) 5.845 17.353 ( -6.941 0.000 -0.532) 6.962 17.374 ( -3.734 0.000 -1.811) 4.150 18.284 ( 1.606 0.000 1.383) 2.119 18.285 ( 1.274 0.000 1.459) 1.937 18.363 ( 3.075 0.000 -1.751) 3.539 18.368 ( 2.925 0.000 -1.974) 3.528 31.706 ( -0.447 0.000 0.509) 0.678 31.731 ( -0.593 0.000 -0.710) 0.925 32.380 ( -7.072 0.000 1.693) 7.272 32.456 ( -6.776 0.000 -2.137) 7.105 36.907 ( -0.769 0.000 1.347) 1.551 36.955 ( -0.940 0.000 -0.653) 1.144 36.973 ( -0.566 0.000 -0.196) 0.599 36.974 ( -0.487 0.000 -0.573) 0.752 64.539 ( -3.087 0.000 4.889) 5.782 64.744 ( -4.237 0.000 -5.051) 6.593 65.223 ( -7.770 0.000 16.262) 18.023 65.979 ( -11.611 0.000 -20.980) 23.979 100.185 ( 2.244 0.000 0.233) 2.256 100.189 ( 2.291 0.000 0.269) 2.307 100.225 ( 2.948 0.000 0.402) 2.975 100.275 ( 4.012 0.000 -2.300) 4.624 ======================= Grid point 228 (76/120) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 12.910 0.000 12.343) 17.861 2.135 ( 11.541 0.000 11.751) 16.470 2.588 ( 3.361 0.000 -0.838) 3.463 2.863 ( 8.276 0.000 -15.438) 17.516 3.006 ( 12.395 0.000 0.062) 12.396 3.212 ( 5.377 0.000 14.536) 15.498 3.254 ( -1.708 0.000 -8.240) 8.415 3.483 ( 16.932 0.000 17.733) 24.518 3.516 ( 1.761 0.000 1.099) 2.076 3.532 ( 11.827 0.000 19.029) 22.405 3.876 ( 6.516 0.000 -1.166) 6.619 4.180 ( 6.308 0.000 -17.168) 18.291 4.222 ( 8.417 0.000 2.809) 8.873 4.536 ( 9.751 0.000 -9.574) 13.666 4.672 ( -0.242 0.000 2.869) 2.879 5.010 ( -0.727 0.000 -6.376) 6.418 5.153 ( 8.894 0.000 1.478) 9.016 5.446 ( 6.072 0.000 -7.135) 9.368 5.546 ( 4.009 0.000 4.358) 5.922 5.557 ( 6.057 0.000 0.001) 6.057 5.774 ( 1.988 0.000 -1.850) 2.715 5.879 ( 2.629 0.000 -0.921) 2.785 5.976 ( 3.690 0.000 2.590) 4.508 6.126 ( -1.584 0.000 -8.732) 8.874 6.267 ( 7.432 0.000 0.363) 7.441 6.278 ( 3.438 0.000 2.090) 4.023 6.587 ( 7.088 0.000 1.285) 7.204 6.632 ( 11.263 0.000 1.477) 11.360 6.775 ( -5.825 0.000 7.938) 9.846 7.145 ( -1.339 0.000 -8.226) 8.334 7.244 ( -10.360 0.000 -0.957) 10.404 7.298 ( -3.286 0.000 -5.475) 6.385 13.444 ( 13.174 0.000 14.376) 19.499 13.722 ( 13.214 0.000 0.384) 13.219 13.985 ( 0.741 0.000 18.031) 18.047 14.299 ( 9.997 0.000 0.209) 9.999 17.130 ( -8.052 0.000 0.523) 8.069 17.144 ( -8.741 0.000 -0.461) 8.753 17.209 ( -7.167 0.000 1.038) 7.242 17.288 ( -4.955 0.000 -2.624) 5.607 18.313 ( 1.694 0.000 2.716) 3.201 18.326 ( 2.658 0.000 2.388) 3.573 18.431 ( 3.865 0.000 -2.957) 4.867 18.441 ( 4.405 0.000 -3.051) 5.359 31.696 ( -0.572 0.000 0.445) 0.725 31.717 ( -0.757 0.000 -0.611) 0.973 32.225 ( -8.622 0.000 2.008) 8.853 32.309 ( -8.088 0.000 -2.188) 8.378 36.894 ( -0.452 0.000 1.201) 1.283 36.936 ( -0.949 0.000 -0.685) 1.171 36.960 ( -0.751 0.000 -0.089) 0.756 36.964 ( -0.555 0.000 -0.413) 0.692 64.474 ( -3.454 0.000 4.211) 5.447 64.649 ( -5.367 0.000 -4.173) 6.799 65.050 ( -9.690 0.000 14.395) 17.353 65.717 ( -15.001 0.000 -18.241) 23.617 100.235 ( 2.744 0.000 0.246) 2.755 100.238 ( 2.678 0.000 0.342) 2.700 100.286 ( 3.224 0.000 0.467) 3.257 100.345 ( 3.088 0.000 -2.445) 3.939 ======================= Grid point 229 (77/120) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.859 0.000 6.358) 8.646 2.313 ( 5.585 0.000 3.585) 6.637 2.628 ( 1.844 0.000 5.547) 5.845 3.004 ( 6.744 0.000 -11.950) 13.722 3.182 ( -4.404 0.000 -3.437) 5.587 3.235 ( 11.144 0.000 -4.347) 11.962 3.286 ( 2.814 0.000 10.088) 10.473 3.568 ( 3.666 0.000 0.358) 3.684 3.758 ( 12.759 0.000 16.007) 20.470 3.818 ( 15.283 0.000 13.450) 20.358 4.041 ( 9.134 0.000 -1.868) 9.323 4.295 ( 5.447 0.000 -12.133) 13.299 4.437 ( 12.948 0.000 5.977) 14.261 4.644 ( -2.786 0.000 -0.599) 2.850 4.703 ( 6.695 0.000 -4.846) 8.265 4.950 ( -4.560 0.000 -10.658) 11.593 5.346 ( 10.596 0.000 1.809) 10.749 5.516 ( 2.223 0.000 -4.193) 4.746 5.615 ( 1.876 0.000 5.567) 5.875 5.680 ( 5.769 0.000 0.447) 5.786 5.844 ( 4.451 0.000 -2.977) 5.355 5.897 ( -0.572 0.000 -6.022) 6.049 6.068 ( 5.497 0.000 2.069) 5.873 6.138 ( 2.690 0.000 -1.905) 3.296 6.283 ( -1.875 0.000 6.585) 6.847 6.383 ( 3.967 0.000 1.211) 4.148 6.613 ( -8.355 0.000 6.860) 10.811 6.674 ( -0.074 0.000 0.021) 0.076 6.882 ( 13.164 0.000 -1.486) 13.247 7.101 ( 0.408 0.000 -3.680) 3.702 7.172 ( 1.830 0.000 -3.650) 4.083 7.325 ( 4.530 0.000 -7.999) 9.193 13.711 ( 13.848 0.000 13.758) 19.520 13.985 ( 13.458 0.000 2.483) 13.685 14.087 ( 8.725 0.000 16.909) 19.027 14.523 ( 12.636 0.000 -3.379) 13.080 16.946 ( -10.296 0.000 0.078) 10.297 16.959 ( -9.911 0.000 -0.634) 9.931 17.085 ( -5.836 0.000 2.205) 6.239 17.189 ( -5.084 0.000 -2.886) 5.846 18.352 ( 2.280 0.000 3.670) 4.320 18.385 ( 3.343 0.000 3.300) 4.697 18.510 ( 4.266 0.000 -4.026) 5.866 18.534 ( 4.997 0.000 -3.860) 6.314 31.684 ( -0.596 0.000 0.390) 0.712 31.702 ( -0.783 0.000 -0.481) 0.919 32.056 ( -8.539 0.000 2.378) 8.864 32.153 ( -7.812 0.000 -2.398) 8.172 36.890 ( 0.001 0.000 0.903) 0.903 36.920 ( -0.700 0.000 -0.491) 0.855 36.945 ( -0.754 0.000 0.017) 0.755 36.953 ( -0.548 0.000 -0.427) 0.695 64.413 ( -2.677 0.000 3.142) 4.128 64.542 ( -5.479 0.000 -2.895) 6.196 64.858 ( -9.908 0.000 11.997) 15.559 65.412 ( -15.983 0.000 -14.983) 21.908 100.289 ( 2.768 0.000 0.191) 2.775 100.290 ( 2.512 0.000 0.391) 2.542 100.346 ( 2.921 0.000 0.334) 2.940 100.394 ( 2.042 0.000 -1.924) 2.805 ======================= Grid point 230 (78/120) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -3.848 0.000 0.918) 3.956 2.310 ( -5.224 0.000 -3.141) 6.095 2.709 ( 6.269 0.000 6.617) 9.115 3.063 ( -3.208 0.000 -10.075) 10.573 3.199 ( 9.235 0.000 1.776) 9.404 3.339 ( 3.099 0.000 9.504) 9.996 3.439 ( 9.736 0.000 -7.188) 12.102 3.652 ( 4.674 0.000 -1.889) 5.041 4.001 ( 12.125 0.000 15.194) 19.439 4.078 ( 11.298 0.000 8.334) 14.039 4.185 ( 4.588 0.000 -2.031) 5.018 4.378 ( 2.529 0.000 -4.339) 5.022 4.559 ( -5.703 0.000 -2.548) 6.246 4.688 ( 11.787 0.000 6.912) 13.664 4.765 ( -0.052 0.000 -4.715) 4.715 4.900 ( 0.790 0.000 -7.377) 7.419 5.533 ( -1.433 0.000 0.346) 1.474 5.547 ( 9.512 0.000 1.843) 9.688 5.614 ( -1.105 0.000 3.260) 3.442 5.707 ( -4.172 0.000 -2.703) 4.971 5.923 ( 3.416 0.000 0.941) 3.543 5.928 ( 5.249 0.000 -5.359) 7.502 6.151 ( 2.647 0.000 5.561) 6.158 6.208 ( 3.862 0.000 0.243) 3.870 6.248 ( -1.715 0.000 5.195) 5.471 6.411 ( -0.834 0.000 0.932) 1.250 6.514 ( -0.611 0.000 -2.981) 3.043 6.611 ( -4.111 0.000 -6.094) 7.351 7.126 ( 11.495 0.000 -0.490) 11.506 7.201 ( 7.203 0.000 3.852) 8.168 7.253 ( 6.377 0.000 -5.259) 8.266 7.426 ( 5.118 0.000 -6.785) 8.499 13.964 ( 11.779 0.000 13.222) 17.708 14.229 ( 11.408 0.000 11.036) 15.873 14.284 ( 10.512 0.000 7.977) 13.196 14.767 ( 11.969 0.000 -5.541) 13.190 16.750 ( -9.448 0.000 0.226) 9.451 16.773 ( -8.950 0.000 -0.901) 8.995 16.982 ( -4.659 0.000 2.700) 5.385 17.096 ( -4.346 0.000 -2.936) 5.245 18.398 ( 2.447 0.000 4.444) 5.073 18.451 ( 3.398 0.000 4.102) 5.327 18.592 ( 4.017 0.000 -4.896) 6.333 18.630 ( 4.725 0.000 -4.464) 6.500 31.673 ( -0.515 0.000 0.360) 0.629 31.688 ( -0.658 0.000 -0.337) 0.739 31.902 ( -7.081 0.000 2.742) 7.594 32.014 ( -6.313 0.000 -2.732) 6.878 36.893 ( 0.314 0.000 0.528) 0.614 36.909 ( -0.406 0.000 -0.251) 0.477 36.932 ( -0.619 0.000 0.093) 0.626 36.943 ( -0.452 0.000 -0.464) 0.648 64.377 ( -0.769 0.000 1.631) 1.803 64.443 ( -4.530 0.000 -1.183) 4.682 64.676 ( -8.589 0.000 9.258) 12.629 65.109 ( -14.935 0.000 -11.638) 18.935 100.334 ( 1.978 0.000 0.423) 2.022 100.340 ( 2.418 0.000 0.032) 2.418 100.397 ( 2.274 0.000 0.096) 2.276 100.425 ( 1.156 0.000 -1.232) 1.689 ======================= Grid point 231 (79/120) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -6.418 0.000 -2.241) 6.798 2.174 ( -7.291 0.000 -4.787) 8.722 2.828 ( 5.148 0.000 1.137) 5.272 2.987 ( -3.882 0.000 -5.659) 6.863 3.408 ( 3.816 0.000 9.684) 10.409 3.424 ( 12.862 0.000 0.976) 12.899 3.612 ( 8.079 0.000 -6.654) 10.467 3.736 ( 3.731 0.000 -3.725) 5.272 4.170 ( -6.420 0.000 0.945) 6.490 4.218 ( 9.756 0.000 12.707) 16.020 4.251 ( 6.395 0.000 5.967) 8.746 4.408 ( 1.526 0.000 -0.858) 1.750 4.428 ( -7.098 0.000 -4.059) 8.177 4.792 ( 3.535 0.000 -4.447) 5.681 4.879 ( 7.559 0.000 7.170) 10.419 4.933 ( 1.497 0.000 -3.485) 3.793 5.438 ( -6.949 0.000 1.870) 7.196 5.566 ( -7.765 0.000 -2.855) 8.273 5.612 ( 0.570 0.000 5.456) 5.486 5.712 ( 6.217 0.000 -0.519) 6.239 5.968 ( 1.221 0.000 5.525) 5.658 6.054 ( 6.682 0.000 -3.373) 7.485 6.195 ( -2.755 0.000 5.369) 6.035 6.216 ( 3.893 0.000 3.447) 5.200 6.269 ( 1.948 0.000 -0.100) 1.950 6.378 ( -1.619 0.000 0.469) 1.686 6.548 ( -2.568 0.000 -9.014) 9.372 6.560 ( 3.423 0.000 -11.327) 11.833 7.320 ( 8.479 0.000 0.203) 8.481 7.325 ( 5.316 0.000 3.909) 6.598 7.392 ( 6.662 0.000 -2.857) 7.249 7.506 ( 2.812 0.000 -4.562) 5.359 14.155 ( 7.722 0.000 12.823) 14.969 14.419 ( 7.825 0.000 17.566) 19.230 14.464 ( 7.533 0.000 0.885) 7.584 14.968 ( 8.299 0.000 -6.738) 10.690 16.592 ( -6.562 0.000 0.416) 6.575 16.624 ( -6.174 0.000 -1.152) 6.281 16.907 ( -2.957 0.000 3.031) 4.235 17.025 ( -2.888 0.000 -2.871) 4.073 18.442 ( 1.917 0.000 5.026) 5.379 18.511 ( 2.601 0.000 4.726) 5.395 18.661 ( 2.918 0.000 -5.507) 6.233 18.710 ( 3.447 0.000 -4.860) 5.959 31.665 ( -0.345 0.000 0.359) 0.498 31.678 ( -0.381 0.000 -0.215) 0.438 31.787 ( -4.682 0.000 3.038) 5.581 31.912 ( -4.046 0.000 -3.076) 5.082 36.900 ( 0.393 0.000 0.187) 0.435 36.903 ( -0.183 0.000 -0.058) 0.192 36.922 ( -0.439 0.000 0.136) 0.459 36.936 ( -0.293 0.000 -0.477) 0.560 64.372 ( -2.751 0.000 0.951) 2.911 64.388 ( 1.967 0.000 -0.331) 1.995 64.532 ( -6.013 0.000 6.359) 8.752 64.842 ( -12.353 0.000 -8.406) 14.942 100.365 ( 1.244 0.000 0.437) 1.319 100.381 ( 1.783 0.000 -0.272) 1.803 100.433 ( 1.432 0.000 -0.124) 1.438 100.440 ( 0.421 0.000 -0.535) 0.681 ======================= Grid point 232 (80/120) ======================= q-point: ( 0.47 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -2.788 0.000 -4.187) 5.030 2.066 ( -3.154 0.000 -5.803) 6.605 2.895 ( 1.719 0.000 -2.769) 3.259 2.929 ( -1.734 0.000 -3.487) 3.894 3.469 ( 1.896 0.000 10.192) 10.367 3.672 ( 11.502 0.000 -0.635) 11.519 3.741 ( 4.370 0.000 -4.565) 6.319 3.786 ( 1.042 0.000 -4.414) 4.535 3.992 ( -9.763 0.000 4.433) 10.722 4.271 ( -3.355 0.000 -8.445) 9.087 4.359 ( 1.292 0.000 5.601) 5.748 4.367 ( 3.941 0.000 13.054) 13.636 4.434 ( 0.819 0.000 -0.804) 1.148 4.871 ( 3.530 0.000 3.940) 5.290 4.943 ( -0.491 0.000 -8.071) 8.086 4.974 ( 2.292 0.000 7.026) 7.390 5.325 ( -3.514 0.000 0.988) 3.650 5.440 ( -3.990 0.000 -4.603) 6.091 5.622 ( 0.283 0.000 8.992) 8.996 5.795 ( 2.206 0.000 0.304) 2.227 5.980 ( 0.228 0.000 7.851) 7.854 6.148 ( -1.370 0.000 5.095) 5.276 6.163 ( 3.949 0.000 -1.484) 4.218 6.268 ( -1.479 0.000 -1.859) 2.376 6.289 ( 2.442 0.000 -0.137) 2.446 6.373 ( 0.642 0.000 0.810) 1.033 6.508 ( -1.338 0.000 -10.504) 10.589 6.607 ( 1.157 0.000 -13.660) 13.709 7.399 ( 2.067 0.000 3.429) 4.004 7.449 ( 4.433 0.000 -0.022) 4.433 7.484 ( 2.511 0.000 -1.735) 3.053 7.528 ( -0.399 0.000 -2.599) 2.630 14.257 ( 2.665 0.000 12.607) 12.885 14.523 ( 2.779 0.000 20.024) 20.216 14.564 ( 2.665 0.000 -1.943) 3.298 15.078 ( 2.924 0.000 -7.274) 7.840 16.504 ( -2.344 0.000 0.539) 2.405 16.541 ( -2.197 0.000 -1.301) 2.553 16.869 ( -0.994 0.000 3.209) 3.359 16.986 ( -1.005 0.000 -2.787) 2.963 18.468 ( 0.729 0.000 5.343) 5.393 18.547 ( 0.984 0.000 5.074) 5.169 18.700 ( 1.072 0.000 -5.823) 5.921 18.757 ( 1.272 0.000 -5.049) 5.207 31.660 ( -0.121 0.000 0.372) 0.391 31.674 ( -0.032 0.000 -0.245) 0.247 31.724 ( -1.724 0.000 3.304) 3.727 31.859 ( -1.388 0.000 -3.297) 3.578 36.901 ( -0.048 0.000 0.044) 0.065 36.907 ( 0.306 0.000 -0.101) 0.322 36.915 ( -0.293 0.000 0.242) 0.380 36.932 ( -0.101 0.000 -0.473) 0.484 64.338 ( -0.797 0.000 3.073) 3.175 64.450 ( -2.277 0.000 3.834) 4.459 64.451 ( 3.990 0.000 -2.690) 4.812 64.642 ( -7.613 0.000 -5.407) 9.338 100.381 ( 0.423 0.000 0.440) 0.610 100.407 ( 0.767 0.000 -0.751) 1.073 100.443 ( -0.023 0.000 0.142) 0.144 100.452 ( 0.488 0.000 -0.248) 0.548 ======================= Grid point 240 (81/120) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 8.783 23.301) 24.902 1.773 ( 0.000 23.832 18.649) 30.261 2.385 ( 0.000 -9.873 15.747) 18.587 2.453 ( 0.000 3.104 -19.661) 19.905 2.499 ( 0.000 11.668 -15.345) 19.278 2.776 ( 0.000 -10.150 19.645) 22.112 2.895 ( 0.000 3.785 25.481) 25.761 3.015 ( 0.000 -0.929 -7.209) 7.269 3.045 ( 0.000 -9.409 8.093) 12.411 3.626 ( 0.000 11.003 3.817) 11.647 3.938 ( 0.000 2.158 -8.236) 8.514 4.012 ( 0.000 8.544 -15.498) 17.697 4.049 ( 0.000 1.140 2.707) 2.937 4.312 ( 0.000 8.669 -15.114) 17.424 4.784 ( 0.000 11.664 11.375) 16.292 4.848 ( 0.000 1.379 6.563) 6.706 4.863 ( 0.000 -34.135 8.030) 35.067 5.025 ( 0.000 2.405 -1.458) 2.813 5.107 ( 0.000 13.675 -3.585) 14.137 5.404 ( 0.000 -13.807 -11.566) 18.012 5.623 ( 0.000 -10.776 1.259) 10.849 5.686 ( 0.000 -6.863 5.831) 9.006 5.826 ( 0.000 -6.375 -6.581) 9.163 5.882 ( 0.000 -5.167 -4.060) 6.571 6.136 ( 0.000 13.068 2.172) 13.247 6.273 ( 0.000 6.110 1.996) 6.427 6.402 ( 0.000 5.794 -4.027) 7.056 6.524 ( 0.000 14.088 -16.614) 21.783 6.892 ( 0.000 5.286 9.603) 10.962 7.224 ( 0.000 2.038 -6.556) 6.866 7.614 ( 0.000 -8.430 1.635) 8.587 7.668 ( 0.000 -7.328 -1.351) 7.452 13.060 ( 0.000 4.872 15.856) 16.587 13.327 ( 0.000 5.212 1.656) 5.469 13.956 ( 0.000 -10.596 10.215) 14.718 14.192 ( 0.000 -31.211 1.487) 31.247 17.382 ( 0.000 2.480 0.160) 2.486 17.411 ( 0.000 1.803 -1.011) 2.067 17.431 ( 0.000 -0.151 1.425) 1.433 17.495 ( 0.000 -0.342 -1.657) 1.692 18.250 ( 0.000 0.274 0.071) 0.283 18.265 ( 0.000 0.395 -0.757) 0.854 18.286 ( 0.000 -0.604 0.525) 0.800 18.313 ( 0.000 -1.072 -0.722) 1.293 31.811 ( 0.000 9.305 1.822) 9.482 31.943 ( 0.000 17.328 -6.071) 18.360 32.454 ( 0.000 -6.980 2.612) 7.452 32.586 ( 0.000 -2.330 -4.029) 4.654 36.921 ( 0.000 -0.585 1.368) 1.488 36.954 ( 0.000 -1.631 0.456) 1.694 36.981 ( 0.000 -0.346 -0.946) 1.007 36.986 ( 0.000 -0.159 -1.825) 1.832 64.699 ( 0.000 9.480 7.948) 12.371 65.119 ( 0.000 25.141 -14.674) 29.110 65.330 ( 0.000 -5.701 17.418) 18.327 66.159 ( 0.000 -5.950 -23.606) 24.345 100.141 ( 0.000 0.192 0.162) 0.251 100.145 ( 0.000 0.354 -0.073) 0.361 100.156 ( 0.000 -0.192 0.229) 0.299 100.160 ( 0.000 -0.058 0.025) 0.063 ======================= Grid point 241 (82/120) ======================= q-point: ( 0.07 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 10.058 8.816 21.207) 25.073 1.848 ( 7.548 22.246 17.275) 29.159 2.451 ( 6.012 -7.392 13.158) 16.246 2.535 ( 7.426 3.720 -16.459) 18.436 2.553 ( 6.043 8.856 -15.681) 18.996 2.830 ( 5.441 -9.481 18.934) 21.863 2.967 ( 7.194 2.014 22.088) 23.317 3.065 ( 4.742 -1.331 -0.680) 4.972 3.081 ( 4.036 -7.981 3.943) 9.774 3.641 ( 1.455 10.929 4.451) 11.890 3.925 ( -1.182 3.126 -7.019) 7.774 4.030 ( 1.310 5.735 -9.266) 10.976 4.075 ( 3.256 3.306 -3.544) 5.839 4.345 ( 3.458 8.361 -14.895) 17.427 4.775 ( -0.406 10.282 9.513) 14.013 4.885 ( 2.759 -11.715 9.841) 15.547 4.915 ( 5.558 -17.904 5.197) 19.454 4.996 ( -0.384 3.031 -1.829) 3.561 5.217 ( 8.419 11.697 -5.071) 15.277 5.409 ( 0.624 -13.807 -11.257) 17.826 5.621 ( 0.664 -11.127 2.909) 11.520 5.713 ( 2.306 -6.151 4.230) 7.813 5.876 ( 4.646 -4.647 -4.757) 8.112 5.936 ( 5.065 -4.102 -3.446) 7.373 6.153 ( 1.757 11.597 1.008) 11.773 6.301 ( 2.262 4.582 0.528) 5.137 6.415 ( 1.402 5.422 -3.589) 6.652 6.508 ( -1.047 12.908 -14.267) 19.268 6.884 ( -0.746 4.825 9.407) 10.599 7.212 ( -1.274 1.685 -6.435) 6.773 7.551 ( -6.440 -8.018 1.116) 10.344 7.600 ( -6.474 -6.096 -1.251) 8.980 13.109 ( 5.018 4.588 15.778) 17.181 13.382 ( 5.603 5.150 1.359) 7.730 13.980 ( 2.585 -9.761 8.334) 13.093 14.087 ( -9.115 -25.146 6.571) 27.543 17.347 ( -3.290 2.002 0.848) 3.943 17.383 ( -2.816 1.413 -0.953) 3.292 17.419 ( -1.748 -0.492 0.174) 1.824 17.457 ( -3.849 -0.350 -1.379) 4.103 18.260 ( 0.952 0.038 0.443) 1.050 18.265 ( 0.341 0.078 0.400) 0.532 18.310 ( 2.091 -0.299 -0.690) 2.222 18.323 ( 1.231 -0.730 -1.022) 1.759 31.803 ( -0.755 8.820 1.688) 9.012 31.919 ( -2.262 15.814 -5.005) 16.741 32.419 ( -3.591 -6.671 2.535) 7.989 32.544 ( -4.192 -2.541 -3.776) 6.187 36.915 ( -0.519 -0.479 1.331) 1.507 36.952 ( -0.303 -1.487 0.401) 1.569 36.975 ( -0.535 -0.555 -1.174) 1.404 36.982 ( -0.409 -0.208 -1.312) 1.390 64.676 ( -2.301 9.004 7.720) 12.081 65.069 ( -4.817 23.035 -12.809) 26.794 65.289 ( -4.191 -5.450 16.770) 18.125 66.095 ( -6.530 -6.320 -22.949) 24.683 100.153 ( 1.257 0.208 0.253) 1.299 100.157 ( 1.333 0.299 0.174) 1.377 100.176 ( 1.851 -0.109 0.116) 1.858 100.194 ( 3.144 -0.428 -0.851) 3.285 ======================= Grid point 242 (83/120) ======================= q-point: ( 0.13 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 12.623 9.887 17.119) 23.455 2.049 ( 12.353 18.303 14.564) 26.452 2.572 ( 5.634 0.585 6.082) 8.311 2.704 ( 10.194 3.894 -13.306) 17.209 2.741 ( 11.706 0.628 -9.909) 15.349 2.971 ( 8.325 -8.550 14.768) 18.987 3.118 ( 5.903 -8.570 3.438) 10.960 3.190 ( 8.303 -6.425 3.376) 11.028 3.231 ( 12.290 7.170 15.125) 20.766 3.680 ( 2.638 10.869 6.498) 12.935 3.904 ( -0.354 4.529 -4.135) 6.143 4.067 ( 3.153 3.700 -4.626) 6.710 4.169 ( 5.916 4.668 -7.875) 10.900 4.448 ( 7.063 7.122 -13.193) 16.573 4.775 ( 0.289 9.590 6.500) 11.589 4.941 ( 2.470 -10.422 6.317) 12.434 5.035 ( 5.109 2.026 -0.845) 5.561 5.059 ( 8.321 -15.117 4.293) 17.782 5.379 ( 6.467 5.664 -6.799) 10.960 5.441 ( 3.867 -9.985 -9.634) 14.404 5.665 ( 3.932 -9.581 5.104) 11.546 5.767 ( 3.123 -2.430 1.872) 4.378 5.977 ( 5.133 -0.602 -1.681) 5.434 6.056 ( 6.664 -4.397 -2.470) 8.357 6.207 ( 3.668 7.046 -0.792) 7.983 6.310 ( -2.145 6.605 -5.009) 8.563 6.464 ( 3.751 2.548 -0.731) 4.593 6.529 ( 4.120 6.024 -5.763) 9.299 6.867 ( -1.087 4.051 8.267) 9.270 7.175 ( -2.513 0.254 -5.643) 6.182 7.383 ( -9.754 -5.845 -0.647) 11.390 7.443 ( -8.877 -3.203 -2.579) 9.783 13.252 ( 9.647 3.925 15.511) 18.683 13.539 ( 10.331 5.022 0.643) 11.504 13.926 ( -5.502 -14.586 14.434) 21.245 14.067 ( 6.577 -7.838 4.047) 11.003 17.262 ( -5.317 1.122 1.099) 5.544 17.298 ( -5.988 1.043 -0.694) 6.117 17.349 ( -6.667 -0.422 -0.600) 6.707 17.361 ( -4.379 -1.239 -1.286) 4.729 18.281 ( 1.277 -0.215 1.592) 2.052 18.284 ( 1.500 -0.115 1.479) 2.110 18.361 ( 3.127 -0.142 -1.901) 3.662 18.365 ( 3.115 -0.244 -2.059) 3.742 31.783 ( -1.280 7.539 1.367) 7.768 31.866 ( -2.971 12.365 -3.125) 13.095 32.320 ( -6.372 -5.783 2.371) 8.925 32.431 ( -7.120 -2.963 -3.198) 8.349 36.903 ( -0.640 -0.250 1.252) 1.428 36.941 ( -0.778 -1.172 0.157) 1.415 36.963 ( -0.635 -0.790 -1.024) 1.440 36.972 ( -0.555 -0.403 -0.767) 1.029 64.615 ( -3.886 7.759 7.061) 11.187 64.949 ( -7.238 18.484 -9.409) 21.968 65.173 ( -7.516 -4.935 15.226) 17.683 65.913 ( -11.878 -6.939 -20.880) 25.004 100.188 ( 2.270 0.257 0.350) 2.311 100.194 ( 2.376 0.420 0.342) 2.437 100.223 ( 2.907 -0.145 0.138) 2.913 100.265 ( 3.819 -0.963 -1.933) 4.388 ======================= Grid point 243 (84/120) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 11.351 9.203 12.997) 19.557 2.293 ( 11.875 16.608 10.759) 23.078 2.657 ( 3.085 3.485 4.961) 6.803 2.894 ( 8.522 3.259 -12.794) 15.714 2.972 ( 11.308 -2.662 -6.916) 13.520 3.121 ( 6.526 -4.964 8.522) 11.826 3.206 ( 3.077 -8.204 0.321) 8.768 3.335 ( 6.899 -6.031 -0.374) 9.171 3.524 ( 15.832 6.332 16.843) 23.968 3.750 ( 4.852 9.981 9.210) 14.422 3.938 ( 4.332 3.858 -0.979) 5.883 4.172 ( 7.601 3.696 -5.832) 10.268 4.296 ( 7.368 4.240 -4.503) 9.620 4.604 ( 8.242 4.419 -8.303) 12.506 4.781 ( 0.235 9.825 2.381) 10.112 4.970 ( 0.236 -4.269 -0.561) 4.312 5.169 ( 8.467 0.648 -0.247) 8.495 5.239 ( 9.744 -14.347 3.439) 17.681 5.450 ( 2.914 -5.887 -5.476) 8.552 5.565 ( 6.734 -2.433 -5.279) 8.896 5.760 ( 5.118 -4.657 4.572) 8.293 5.824 ( 2.456 1.190 -1.311) 3.027 6.064 ( 3.883 1.903 -0.780) 4.394 6.150 ( 0.908 -2.573 -4.898) 5.607 6.257 ( 1.527 3.700 0.200) 4.008 6.291 ( 1.994 2.103 0.994) 3.064 6.546 ( 4.093 -2.173 2.362) 5.201 6.654 ( 8.259 -0.150 -1.831) 8.461 6.815 ( -5.015 3.886 7.150) 9.559 7.133 ( -0.722 -2.618 -3.238) 4.226 7.208 ( -7.579 -0.833 -4.346) 8.776 7.312 ( -3.034 0.347 -6.977) 7.616 13.475 ( 12.913 3.236 15.068) 20.106 13.769 ( 12.916 4.556 0.719) 13.715 13.909 ( 3.919 -7.024 17.484) 19.245 14.237 ( 10.815 -6.056 -0.210) 12.397 17.138 ( -7.659 0.896 0.486) 7.726 17.152 ( -8.929 0.725 -0.426) 8.969 17.205 ( -7.522 -0.452 0.679) 7.566 17.266 ( -5.324 -2.026 -2.138) 6.084 18.311 ( 1.845 -0.090 2.712) 3.281 18.323 ( 2.561 -0.251 2.447) 3.551 18.430 ( 3.949 -0.012 -3.029) 4.977 18.440 ( 4.378 -0.164 -3.079) 5.355 31.755 ( -1.522 5.839 1.029) 6.121 31.810 ( -2.687 8.756 -1.789) 9.332 32.180 ( -7.845 -4.476 2.274) 9.314 32.280 ( -8.191 -3.190 -2.684) 9.191 36.892 ( -0.441 -0.124 1.136) 1.225 36.924 ( -0.845 -1.010 0.113) 1.321 36.950 ( -0.739 -0.664 -0.636) 1.180 36.962 ( -0.399 -0.453 -0.731) 0.948 64.533 ( -4.352 6.127 6.027) 9.634 64.800 ( -7.839 13.869 -6.509) 17.209 65.007 ( -9.297 -4.229 13.109) 16.618 65.649 ( -14.915 -7.063 -17.799) 24.273 100.237 ( 2.760 0.318 0.405) 2.808 100.245 ( 2.736 0.545 0.415) 2.820 100.283 ( 3.186 -0.213 0.139) 3.196 100.333 ( 3.110 -1.120 -2.143) 3.939 ======================= Grid point 244 (85/120) ======================= q-point: ( 0.27 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 7.173 8.695 7.860) 13.741 2.449 ( 2.346 13.699 4.116) 14.495 2.718 ( 4.444 7.467 7.186) 11.276 3.027 ( 5.556 1.963 -10.618) 12.143 3.113 ( 0.551 -4.106 -4.756) 6.308 3.241 ( 6.275 -1.790 -7.207) 9.722 3.257 ( 5.487 -2.401 9.601) 11.316 3.479 ( 7.961 -5.636 1.735) 9.907 3.799 ( 11.937 2.764 9.803) 15.692 3.883 ( 8.909 6.311 10.637) 15.243 4.064 ( 7.817 1.995 0.361) 8.075 4.321 ( 6.458 3.032 -9.945) 12.240 4.481 ( 11.825 3.819 4.981) 13.388 4.720 ( 1.569 3.707 1.152) 4.187 4.799 ( 3.225 9.134 -4.480) 10.673 4.940 ( -3.227 1.150 -5.506) 6.485 5.353 ( 9.965 0.294 -0.321) 9.974 5.422 ( 8.528 -9.997 -0.769) 13.163 5.514 ( 3.621 -4.497 -0.176) 5.776 5.677 ( 4.557 -3.585 -0.063) 5.799 5.834 ( 1.466 -3.812 1.297) 4.285 5.857 ( 1.485 1.647 -3.368) 4.033 6.116 ( -0.864 -3.371 -1.533) 3.803 6.141 ( 2.997 2.523 -2.476) 4.634 6.297 ( 0.287 1.279 5.225) 5.387 6.311 ( 0.102 -2.961 4.093) 5.052 6.584 ( -0.728 -3.245 0.780) 3.415 6.690 ( -4.977 0.583 -2.975) 5.827 6.858 ( 10.946 -0.769 4.559) 11.883 7.097 ( -0.100 -2.755 1.487) 3.133 7.200 ( 4.544 3.917 -8.152) 10.122 7.323 ( 3.324 -0.132 -8.775) 9.384 13.737 ( 13.703 2.759 14.578) 20.196 14.007 ( 11.055 -0.693 12.874) 16.983 14.075 ( 12.365 1.664 5.636) 13.690 14.474 ( 13.061 -4.943 -3.304) 14.350 16.962 ( -9.992 1.472 -0.035) 10.100 16.972 ( -9.355 1.394 -0.508) 9.472 17.070 ( -6.391 -1.439 1.842) 6.805 17.160 ( -5.493 -2.803 -2.534) 6.667 18.353 ( 2.422 0.175 3.637) 4.373 18.381 ( 3.250 -0.425 3.344) 4.683 18.512 ( 4.356 0.151 -4.042) 5.945 18.531 ( 4.932 -0.264 -3.899) 6.293 31.725 ( -1.562 4.053 0.824) 4.421 31.764 ( -2.072 5.890 -1.093) 6.338 32.025 ( -7.863 -3.084 2.360) 8.769 32.124 ( -7.618 -2.964 -2.512) 8.552 36.886 ( -0.208 -0.294 1.017) 1.079 36.910 ( -0.582 -0.948 0.395) 1.180 36.937 ( -0.590 -0.308 -0.538) 0.856 36.956 ( -0.297 -0.171 -0.917) 0.979 64.454 ( -3.602 4.398 4.660) 7.350 64.651 ( -7.325 10.053 -4.113) 13.101 64.823 ( -9.367 -3.258 10.563) 14.489 65.350 ( -15.538 -6.451 -14.384) 22.134 100.292 ( 2.723 0.357 0.408) 2.776 100.297 ( 2.572 0.596 0.394) 2.669 100.343 ( 2.891 -0.287 0.046) 2.906 100.384 ( 2.150 -0.993 -1.758) 2.949 ======================= Grid point 245 (86/120) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -6.465 11.304 3.291) 13.432 2.466 ( 0.689 11.156 -1.434) 11.269 2.801 ( 2.697 9.323 2.851) 10.115 3.041 ( -3.676 -2.571 -7.547) 8.779 3.174 ( 8.516 -1.468 0.932) 8.692 3.342 ( 5.589 -0.636 7.468) 9.349 3.425 ( 8.964 -0.749 -5.923) 10.770 3.631 ( 7.336 -2.385 -1.392) 7.838 3.995 ( 8.460 -0.549 8.862) 12.264 4.062 ( 8.564 1.446 8.364) 12.058 4.212 ( 6.957 2.022 0.252) 7.250 4.411 ( 2.877 2.553 -6.258) 7.345 4.678 ( -4.625 9.267 -0.307) 10.361 4.714 ( 11.040 2.814 7.813) 13.815 4.866 ( -2.456 7.518 -6.043) 9.953 4.885 ( 3.565 1.175 -2.192) 4.347 5.490 ( 1.632 -2.505 -0.188) 2.996 5.566 ( 5.602 -3.390 -3.364) 7.361 5.581 ( 3.924 0.807 4.082) 5.720 5.723 ( -1.806 0.433 2.890) 3.435 5.825 ( 1.614 -6.511 -5.773) 8.850 5.904 ( 3.159 -2.923 1.778) 4.656 6.129 ( 2.138 -6.913 0.850) 7.286 6.193 ( 2.023 0.869 1.681) 2.770 6.277 ( -2.646 -5.410 7.026) 9.254 6.303 ( 0.870 1.843 0.459) 2.089 6.565 ( -0.463 0.814 -5.897) 5.971 6.607 ( -3.286 0.367 -6.346) 7.155 7.077 ( 10.982 -2.833 3.303) 11.813 7.175 ( 6.627 -2.667 4.076) 8.225 7.307 ( 5.915 3.561 -7.172) 9.955 7.408 ( 4.666 -1.439 -7.261) 8.750 13.988 ( 11.741 2.550 14.145) 18.559 14.218 ( 10.529 -2.301 18.618) 21.513 14.320 ( 11.887 4.729 -0.680) 12.811 14.723 ( 12.123 -4.447 -5.247) 13.938 16.774 ( -8.958 2.303 0.159) 9.250 16.795 ( -8.503 2.366 -0.840) 8.866 16.957 ( -5.106 -2.409 2.346) 6.114 17.059 ( -4.727 -3.614 -2.673) 6.523 18.402 ( 2.556 0.407 4.415) 5.118 18.445 ( 3.310 -0.599 4.145) 5.338 18.595 ( 4.100 0.315 -4.879) 6.380 18.626 ( 4.664 -0.387 -4.529) 6.513 31.696 ( -1.396 2.395 0.832) 2.894 31.730 ( -1.383 3.956 -0.825) 4.271 31.883 ( -6.561 -1.900 2.583) 7.302 31.991 ( -5.990 -2.371 -2.663) 6.971 36.883 ( -0.113 -0.685 0.973) 1.195 36.902 ( -0.355 -1.064 0.842) 1.402 36.929 ( -0.210 0.350 -0.808) 0.905 36.951 ( -0.205 0.210 -1.112) 1.150 64.400 ( -1.812 2.681 3.008) 4.419 64.522 ( -5.804 7.031 -1.876) 9.308 64.653 ( -7.927 -2.037 7.748) 11.270 65.058 ( -14.252 -5.266 -11.011) 18.764 100.339 ( 2.037 0.494 0.476) 2.150 100.344 ( 2.335 0.453 0.162) 2.384 100.393 ( 2.246 -0.361 -0.101) 2.277 100.417 ( 1.273 -0.774 -1.179) 1.900 ======================= Grid point 246 (87/120) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -7.014 11.681 2.142) 13.793 2.426 ( -4.066 17.657 -7.644) 19.666 2.825 ( 0.048 -0.769 0.009) 0.770 2.984 ( -1.827 -0.276 -6.122) 6.395 3.355 ( 8.372 -1.747 6.060) 10.481 3.468 ( 7.790 0.517 6.093) 9.903 3.588 ( 7.847 -1.231 -5.853) 9.866 3.751 ( 4.588 0.125 -4.108) 6.160 4.084 ( -0.154 -2.415 6.787) 7.205 4.225 ( 8.455 0.101 9.441) 12.674 4.322 ( 4.082 3.791 -1.553) 5.783 4.438 ( 0.372 3.171 -2.089) 3.815 4.560 ( -6.694 10.958 -0.702) 12.860 4.856 ( 1.841 4.012 -7.381) 8.600 4.880 ( 5.640 0.809 8.291) 10.060 4.951 ( 2.742 2.588 1.946) 4.243 5.446 ( -4.841 1.088 1.401) 5.155 5.538 ( -4.555 -1.656 -0.117) 4.848 5.628 ( -3.279 0.706 1.297) 3.597 5.729 ( 6.064 1.843 0.128) 6.339 5.906 ( 3.768 -6.179 2.292) 7.592 5.984 ( 4.391 -6.045 1.560) 7.632 6.160 ( 1.075 -4.121 0.480) 4.286 6.229 ( 1.563 2.016 3.181) 4.077 6.266 ( 1.989 -7.723 3.370) 8.657 6.308 ( -0.693 0.851 -0.979) 1.471 6.553 ( -1.098 0.636 -8.652) 8.745 6.581 ( 0.498 0.649 -10.184) 10.217 7.270 ( 8.595 -3.040 2.307) 9.404 7.303 ( 5.771 -2.306 3.860) 7.316 7.415 ( 4.843 0.926 -4.889) 6.943 7.483 ( 2.703 -1.866 -4.948) 5.939 14.180 ( 7.732 2.517 13.820) 16.035 14.397 ( 7.561 -2.425 19.540) 21.092 14.516 ( 7.978 5.422 -2.239) 9.903 14.926 ( 8.332 -4.302 -6.370) 11.336 16.625 ( -6.149 3.222 0.320) 6.950 16.653 ( -5.862 3.103 -1.046) 6.715 16.875 ( -3.260 -3.150 2.660) 5.256 16.982 ( -3.157 -4.281 -2.653) 5.945 18.448 ( 1.987 0.577 5.007) 5.417 18.504 ( 2.533 -0.752 4.770) 5.453 18.665 ( 2.979 0.453 -5.470) 6.245 18.706 ( 3.404 -0.490 -4.949) 6.026 31.673 ( -0.945 1.115 0.963) 1.751 31.710 ( -0.763 2.773 -0.728) 2.966 31.777 ( -4.330 -1.011 2.771) 5.239 31.895 ( -3.782 -1.748 -2.933) 5.095 36.882 ( -0.062 -0.954 1.016) 1.395 36.896 ( -0.241 -1.263 1.174) 1.741 36.928 ( 0.080 0.899 -1.145) 1.458 36.948 ( -0.115 0.537 -1.259) 1.373 64.382 ( -0.494 1.466 1.621) 2.241 64.437 ( -2.267 4.157 -0.144) 4.737 64.523 ( -5.290 -0.656 4.835) 7.196 64.805 ( -11.560 -3.764 -7.813) 14.451 100.370 ( 1.242 0.541 0.460) 1.431 100.385 ( 1.765 0.363 -0.141) 1.808 100.429 ( 1.312 -0.470 -0.234) 1.413 100.434 ( 0.595 -0.537 -0.564) 0.980 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.47 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -2.804 12.431 1.193) 12.799 2.355 ( -2.279 20.602 -10.189) 23.097 2.812 ( -0.766 -6.035 -0.023) 6.084 2.969 ( -0.104 1.087 -7.089) 7.173 3.459 ( 2.491 -0.555 9.685) 10.016 3.632 ( 7.102 -4.102 2.002) 8.443 3.722 ( 5.542 -0.975 -4.105) 6.966 3.792 ( -0.862 -0.402 -4.498) 4.598 4.024 ( -3.873 4.430 6.890) 9.061 4.352 ( 0.509 6.176 -2.251) 6.593 4.372 ( 4.571 -0.286 0.970) 4.682 4.438 ( -0.120 4.289 1.014) 4.409 4.462 ( -2.971 7.524 5.114) 9.570 4.913 ( 3.153 1.654 -6.149) 7.105 4.940 ( 0.981 0.552 6.601) 6.696 4.976 ( -0.430 -0.285 4.642) 4.671 5.366 ( -2.353 4.779 0.579) 5.359 5.441 ( -3.473 0.649 -3.761) 5.160 5.603 ( -0.287 -1.630 7.982) 8.152 5.811 ( 2.138 1.145 -0.683) 2.520 5.952 ( 1.228 -2.868 6.023) 6.783 6.025 ( 0.186 -8.117 4.243) 9.161 6.208 ( 3.499 -1.908 -3.549) 5.337 6.257 ( 0.424 -0.094 0.691) 0.816 6.281 ( -1.281 0.452 -0.078) 1.360 6.304 ( 0.987 -5.729 1.772) 6.078 6.536 ( -0.443 2.005 -9.455) 9.675 6.594 ( 0.388 -1.360 -12.049) 12.132 7.377 ( 2.116 -1.743 2.761) 3.891 7.402 ( 4.128 -3.166 1.263) 5.353 7.482 ( 1.795 -1.760 -2.846) 3.797 7.507 ( 0.032 -1.348 -3.190) 3.463 14.282 ( 2.674 2.536 13.640) 14.129 14.499 ( 2.705 -2.495 19.756) 20.096 14.622 ( 2.781 5.677 -2.856) 6.937 15.036 ( 2.927 -4.282 -6.892) 8.625 16.543 ( -2.184 3.800 0.415) 4.403 16.575 ( -2.083 3.520 -1.150) 4.249 16.833 ( -1.104 -3.564 2.827) 4.681 16.940 ( -1.102 -4.657 -2.589) 5.441 18.475 ( 0.754 0.668 5.331) 5.425 18.538 ( 0.957 -0.845 5.119) 5.276 18.706 ( 1.095 0.536 -5.774) 5.901 18.752 ( 1.256 -0.550 -5.153) 5.332 31.660 ( -0.319 0.427 1.056) 1.183 31.701 ( -0.105 2.136 -0.643) 2.233 31.718 ( -1.657 -0.460 2.839) 3.319 31.846 ( -1.289 -1.372 -3.127) 3.650 36.881 ( -0.017 -1.052 1.068) 1.499 36.892 ( -0.089 -1.335 1.296) 1.863 36.930 ( 0.069 1.100 -1.320) 1.719 36.946 ( -0.037 0.724 -1.334) 1.518 64.361 ( -0.994 2.163 2.711) 3.608 64.444 ( -0.283 -0.323 2.445) 2.482 64.464 ( 1.419 1.099 -1.505) 2.342 64.620 ( -6.974 -2.234 -4.875) 8.797 100.387 ( 0.420 0.539 0.440) 0.813 100.410 ( 0.805 0.388 -0.651) 1.106 100.437 ( -0.027 -0.585 0.131) 0.600 100.448 ( 0.469 -0.408 -0.331) 0.704 ======================= Grid point 255 (89/120) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 14.617 19.320) 24.226 2.124 ( 0.000 -14.656 16.476) 22.051 2.195 ( 0.000 16.501 13.847) 21.541 2.449 ( 0.000 -8.237 4.531) 9.401 2.654 ( 0.000 2.429 -4.455) 5.074 2.720 ( 0.000 7.191 -10.294) 12.557 2.808 ( 0.000 -5.856 -11.955) 13.312 2.891 ( 0.000 -6.798 -2.233) 7.155 3.300 ( 0.000 25.962 22.605) 34.424 3.727 ( 0.000 -6.638 7.604) 10.094 3.970 ( 0.000 2.270 -2.290) 3.224 4.077 ( 0.000 -6.983 -5.111) 8.654 4.137 ( 0.000 5.451 0.812) 5.512 4.266 ( 0.000 -16.923 9.013) 19.173 4.515 ( 0.000 12.911 -14.397) 19.338 4.780 ( 0.000 -11.409 -5.932) 12.859 5.041 ( 0.000 12.187 9.767) 15.618 5.110 ( 0.000 5.679 0.807) 5.736 5.222 ( 0.000 -1.186 -4.577) 4.728 5.346 ( 0.000 0.052 -5.997) 5.997 5.404 ( 0.000 -1.762 5.902) 6.159 5.537 ( 0.000 -7.888 4.428) 9.046 5.700 ( 0.000 -4.150 -8.327) 9.304 5.751 ( 0.000 -7.384 -5.782) 9.379 6.328 ( 0.000 6.086 4.355) 7.483 6.366 ( 0.000 1.984 2.948) 3.554 6.536 ( 0.000 7.420 -3.133) 8.054 6.638 ( 0.000 -1.687 -6.107) 6.336 7.115 ( 0.000 15.754 -1.072) 15.790 7.304 ( 0.000 6.698 -4.507) 8.074 7.403 ( 0.000 -13.191 -1.411) 13.266 7.480 ( 0.000 -10.844 -2.885) 11.221 13.227 ( 0.000 13.271 16.443) 21.130 13.477 ( 0.000 10.262 2.291) 10.515 13.603 ( 0.000 -26.200 13.901) 29.659 13.711 ( 0.000 -13.485 5.193) 14.451 17.412 ( 0.000 0.993 0.537) 1.129 17.426 ( 0.000 -0.469 1.117) 1.212 17.455 ( 0.000 2.063 -1.582) 2.599 17.483 ( 0.000 -0.966 -1.666) 1.926 18.258 ( 0.000 0.597 0.174) 0.621 18.272 ( 0.000 -0.778 0.326) 0.844 18.276 ( 0.000 0.697 -0.697) 0.986 18.292 ( 0.000 -0.995 -0.607) 1.166 32.036 ( 0.000 12.974 3.672) 13.483 32.274 ( 0.000 14.925 -9.425) 17.652 32.276 ( 0.000 -11.301 3.906) 11.957 32.492 ( 0.000 -7.792 -7.264) 10.653 36.913 ( 0.000 0.006 1.182) 1.182 36.925 ( 0.000 -1.185 0.800) 1.429 36.976 ( 0.000 -0.016 -1.908) 1.908 36.980 ( 0.000 -0.339 -2.235) 2.260 64.930 ( 0.000 13.229 12.493) 18.196 65.169 ( 0.000 -10.803 15.855) 19.185 65.616 ( 0.000 23.364 -23.551) 33.174 65.973 ( 0.000 -13.738 -24.740) 28.298 100.145 ( 0.000 0.290 0.216) 0.362 100.151 ( 0.000 -0.280 0.245) 0.372 100.152 ( 0.000 0.347 -0.144) 0.375 100.157 ( 0.000 -0.200 -0.082) 0.216 ======================= Grid point 256 (90/120) ======================= q-point: ( 0.07 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 9.548 13.961 18.028) 24.720 2.210 ( 8.124 -12.501 16.014) 21.879 2.255 ( 6.105 14.959 12.984) 20.727 2.514 ( 6.342 -9.423 6.581) 13.127 2.706 ( 5.220 4.372 -7.791) 10.347 2.776 ( 5.520 6.449 -8.404) 11.945 2.863 ( 5.165 -6.550 -11.603) 14.290 2.930 ( 4.086 -6.586 -2.563) 8.163 3.358 ( 6.055 25.052 21.315) 33.446 3.748 ( 2.123 -4.912 7.274) 9.031 3.970 ( -0.079 2.577 -2.340) 3.481 4.080 ( 0.607 -6.569 -3.706) 7.567 4.166 ( 3.038 5.019 -0.663) 5.904 4.307 ( 3.936 -16.178 8.982) 18.918 4.562 ( 4.746 11.385 -14.169) 18.786 4.819 ( 3.985 -10.957 -5.385) 12.843 5.044 ( 0.316 11.396 7.258) 13.515 5.095 ( -0.554 6.607 1.637) 6.830 5.224 ( 0.332 -1.758 -3.205) 3.670 5.345 ( -0.447 -9.588 -3.302) 10.151 5.481 ( 7.751 6.203 3.535) 10.538 5.582 ( 4.495 -5.782 3.127) 7.963 5.763 ( 5.924 -4.040 -6.718) 9.826 5.819 ( 6.182 -7.246 -5.589) 11.044 6.331 ( 0.313 5.924 3.681) 6.982 6.373 ( 0.663 1.372 2.804) 3.191 6.534 ( -0.207 6.573 -3.007) 7.231 6.623 ( -1.526 -1.147 -6.210) 6.497 7.082 ( -3.218 14.021 0.008) 14.386 7.272 ( -3.574 3.318 -3.318) 5.899 7.361 ( -3.759 -9.711 -2.576) 10.727 7.442 ( -3.682 -9.165 -3.379) 10.438 13.263 ( 3.804 12.060 16.552) 20.831 13.528 ( 5.227 9.803 1.858) 11.264 13.596 ( -0.222 -22.462 14.949) 26.983 13.752 ( 4.249 -12.683 4.168) 14.010 17.379 ( -3.246 1.395 0.701) 3.602 17.401 ( -2.547 -0.726 0.467) 2.689 17.420 ( -3.559 1.482 -1.231) 4.047 17.445 ( -3.858 -0.969 -1.407) 4.219 18.262 ( 0.484 0.175 0.757) 0.916 18.265 ( 0.181 -0.072 0.760) 0.784 18.306 ( 2.221 -0.036 -1.173) 2.512 18.310 ( 1.840 -0.520 -1.196) 2.256 32.017 ( -1.844 12.393 3.402) 12.983 32.230 ( -4.223 14.131 -7.967) 16.763 32.247 ( -2.852 -10.508 3.492) 11.434 32.446 ( -4.493 -7.913 -6.570) 11.224 36.910 ( -0.301 0.134 1.110) 1.157 36.923 ( -0.163 -1.215 0.780) 1.453 36.969 ( -0.711 -0.008 -1.749) 1.888 36.974 ( -0.606 -0.470 -1.891) 2.040 64.898 ( -3.284 12.754 12.091) 17.878 65.129 ( -4.039 -10.497 15.415) 19.082 65.543 ( -7.133 22.802 -21.404) 32.077 65.901 ( -7.241 -14.128 -23.403) 28.279 100.158 ( 1.309 0.285 0.390) 1.395 100.161 ( 1.364 0.029 0.434) 1.432 100.176 ( 1.985 0.214 -0.350) 2.027 100.184 ( 2.483 -0.543 -0.605) 2.613 ======================= Grid point 257 (91/120) ======================= q-point: ( 0.13 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 12.227 12.880 15.621) 23.652 2.402 ( 11.020 -3.530 15.125) 19.044 2.419 ( 9.930 7.114 11.381) 16.696 2.675 ( 9.664 -10.377 8.943) 16.764 2.839 ( 7.819 6.133 -11.812) 15.436 2.919 ( 8.678 4.962 -6.608) 11.983 2.978 ( 6.145 -5.858 -8.395) 11.939 3.050 ( 7.846 -7.067 -5.595) 11.951 3.530 ( 11.225 21.608 17.131) 29.772 3.805 ( 3.540 -0.636 6.878) 7.761 3.970 ( 0.468 3.724 -1.490) 4.038 4.117 ( 3.470 -6.819 -4.885) 9.078 4.251 ( 5.580 5.060 0.107) 7.534 4.406 ( 6.014 -13.815 8.860) 17.479 4.693 ( 8.503 7.950 -13.214) 17.610 4.929 ( 7.110 -9.955 -4.513) 13.039 5.051 ( 0.310 10.878 3.841) 11.541 5.112 ( 2.504 6.618 1.375) 7.208 5.245 ( 2.037 -3.343 -0.246) 3.923 5.354 ( 1.842 -11.868 -1.179) 12.068 5.657 ( 9.138 6.268 2.025) 11.265 5.700 ( 7.154 -2.012 1.687) 7.621 5.899 ( 7.206 -3.800 -4.699) 9.404 5.951 ( 6.515 -6.410 -4.632) 10.247 6.341 ( 0.656 5.264 2.565) 5.892 6.384 ( 0.121 0.873 2.408) 2.564 6.532 ( -0.013 4.108 -3.015) 5.096 6.590 ( -1.169 -0.749 -5.396) 5.572 7.003 ( -4.514 9.175 2.524) 10.533 7.157 ( -7.519 -4.615 0.421) 8.832 7.290 ( -3.202 -0.638 -6.011) 6.841 7.356 ( -4.508 -5.192 -5.570) 8.849 13.378 ( 8.042 9.362 16.702) 20.767 13.615 ( 3.287 -14.200 16.395) 21.937 13.681 ( 9.992 8.084 1.126) 12.902 13.878 ( 8.706 -10.867 1.747) 14.033 17.291 ( -5.715 1.753 0.604) 6.008 17.320 ( -6.654 0.632 -0.606) 6.712 17.328 ( -4.881 -1.297 -0.470) 5.072 17.340 ( -6.624 -0.821 -0.812) 6.724 18.279 ( 1.253 -0.003 1.722) 2.130 18.281 ( 1.360 -0.163 1.651) 2.145 18.359 ( 3.258 -0.023 -2.140) 3.899 18.361 ( 3.306 -0.194 -2.184) 3.967 31.968 ( -3.147 10.788 2.758) 11.571 32.126 ( -6.133 12.685 -5.424) 15.098 32.170 ( -4.974 -9.338 2.981) 10.992 32.329 ( -7.219 -7.881 -5.000) 11.799 36.903 ( -0.451 0.325 1.013) 1.155 36.917 ( -0.493 -1.132 0.756) 1.448 36.953 ( -0.748 -0.085 -1.396) 1.586 36.960 ( -0.737 -0.646 -1.322) 1.646 64.809 ( -5.578 11.421 10.997) 16.807 65.019 ( -7.013 -9.567 14.180) 18.487 65.361 ( -10.950 20.791 -16.924) 28.958 65.707 ( -12.186 -14.471 -20.098) 27.602 100.195 ( 2.372 0.399 0.593) 2.478 100.200 ( 2.473 -0.005 0.746) 2.584 100.225 ( 2.958 0.532 -0.731) 3.093 100.243 ( 3.363 -1.171 -1.298) 3.790 ======================= Grid point 258 (92/120) ======================= q-point: ( 0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 9.817 11.377 13.169) 19.981 2.579 ( 6.064 -7.189 11.136) 14.576 2.640 ( 12.676 13.167 12.113) 21.927 2.873 ( 10.377 -8.746 7.796) 15.651 2.984 ( 6.420 4.035 -11.587) 13.848 3.082 ( 5.614 -2.158 -7.305) 9.463 3.100 ( 7.992 1.783 -7.747) 11.272 3.208 ( 8.178 -6.659 -5.119) 11.723 3.754 ( 10.598 14.978 10.675) 21.227 3.880 ( 4.204 2.306 6.920) 8.419 4.011 ( 4.292 5.675 0.839) 7.165 4.210 ( 5.578 -7.429 -8.396) 12.522 4.385 ( 8.568 6.558 4.052) 11.525 4.537 ( 7.463 -9.860 8.570) 15.045 4.869 ( 8.546 5.366 -10.731) 14.731 5.036 ( 0.319 -1.445 -3.338) 3.651 5.104 ( 8.591 4.820 2.556) 10.177 5.196 ( 6.128 3.388 -0.086) 7.003 5.311 ( 4.963 -4.015 0.523) 6.405 5.423 ( 5.144 -11.714 -0.541) 12.805 5.795 ( 4.326 5.077 2.021) 6.969 5.831 ( 5.371 0.350 -0.309) 5.391 6.017 ( 4.550 -3.820 -3.629) 6.961 6.043 ( 2.348 -5.704 -3.645) 7.165 6.350 ( 0.067 3.671 3.091) 4.800 6.366 ( -1.653 3.020 2.701) 4.376 6.532 ( 0.446 1.550 -2.558) 3.025 6.605 ( 2.416 -4.425 -4.606) 6.829 6.912 ( -4.343 5.908 5.568) 9.207 7.034 ( -4.171 -6.414 2.919) 8.190 7.245 ( -0.732 3.204 -8.414) 9.033 7.298 ( -1.013 -1.883 -8.746) 9.004 13.571 ( 11.651 6.789 16.668) 21.439 13.728 ( 8.326 -8.950 17.919) 21.691 13.913 ( 13.423 8.104 -0.694) 15.695 14.085 ( 12.409 -9.100 -0.864) 15.412 17.164 ( -7.400 1.468 0.305) 7.551 17.169 ( -8.462 0.949 -0.044) 8.515 17.194 ( -8.099 -0.401 -0.269) 8.114 17.220 ( -6.306 -2.504 -1.221) 6.894 18.312 ( 2.110 0.166 2.665) 3.403 18.317 ( 2.356 -0.355 2.565) 3.501 18.431 ( 4.129 0.138 -3.129) 5.182 18.435 ( 4.288 -0.246 -3.134) 5.317 31.900 ( -3.731 8.513 2.077) 9.524 32.006 ( -5.968 10.095 -3.175) 12.149 32.061 ( -6.019 -7.326 2.334) 9.764 32.180 ( -7.763 -7.194 -3.490) 11.144 36.893 ( -0.518 0.291 1.054) 1.210 36.905 ( -0.728 -0.890 0.903) 1.462 36.942 ( -0.440 -0.043 -1.178) 1.258 36.949 ( -0.323 -0.715 -1.138) 1.382 64.691 ( -6.395 9.471 9.425) 14.813 64.867 ( -8.339 -8.061 12.350) 16.942 65.137 ( -11.776 17.477 -12.663) 24.586 65.447 ( -14.212 -13.723 -16.201) 25.549 100.246 ( 2.831 0.508 0.719) 2.965 100.252 ( 2.845 0.023 0.917) 2.990 100.285 ( 3.094 0.627 -0.939) 3.293 100.307 ( 3.101 -1.437 -1.568) 3.760 ======================= Grid point 259 (93/120) ======================= q-point: ( 0.27 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 6.026 8.501 9.729) 14.256 2.636 ( 0.050 -0.140 8.076) 8.077 2.880 ( 11.093 11.026 8.522) 17.811 3.039 ( 5.075 -0.549 -4.122) 6.561 3.076 ( 0.975 -2.255 -7.237) 7.643 3.134 ( 4.377 -5.887 -0.411) 7.347 3.275 ( 9.124 3.843 -5.499) 11.325 3.374 ( 9.041 -5.570 -2.897) 11.008 3.922 ( 7.152 8.222 6.874) 12.884 3.980 ( 6.232 2.355 5.434) 8.597 4.129 ( 7.045 6.253 1.874) 9.604 4.312 ( 4.725 -7.577 -9.141) 12.779 4.585 ( 11.287 6.684 7.507) 15.114 4.685 ( 7.244 -3.765 6.633) 10.519 4.978 ( 2.016 5.797 -4.600) 7.670 5.024 ( -0.835 3.161 -1.230) 3.493 5.304 ( 11.355 1.074 -1.068) 11.455 5.352 ( 9.358 0.373 -2.804) 9.776 5.433 ( 7.104 -2.452 0.227) 7.519 5.538 ( 6.057 -10.246 -1.381) 11.982 5.819 ( -1.129 2.657 3.103) 4.238 5.878 ( -0.867 -0.944 -0.079) 1.284 6.029 ( -2.650 -2.711 -2.724) 4.668 6.075 ( 1.235 -5.694 -2.792) 6.461 6.332 ( -1.714 2.546 5.133) 5.980 6.342 ( -0.779 1.589 3.976) 4.352 6.554 ( 1.403 1.429 -4.169) 4.625 6.633 ( -0.679 -5.268 -7.986) 9.591 6.905 ( 4.834 4.799 8.646) 11.007 7.009 ( 2.066 -5.553 4.799) 7.625 7.278 ( 3.680 3.210 -9.563) 10.738 7.316 ( 2.610 -0.902 -9.762) 10.146 13.815 ( 13.019 5.153 16.474) 21.620 13.925 ( 11.392 -5.808 18.312) 22.335 14.186 ( 14.311 7.898 -2.050) 16.474 14.345 ( 13.882 -7.990 -2.948) 16.287 16.994 ( -8.980 1.880 0.314) 9.180 17.018 ( -7.890 2.846 -0.549) 8.405 17.035 ( -7.888 -1.626 0.729) 8.086 17.092 ( -6.670 -3.924 -1.738) 7.931 18.359 ( 2.720 0.466 3.553) 4.499 18.370 ( 3.020 -0.614 3.445) 4.622 18.517 ( 4.559 0.345 -4.044) 6.104 18.524 ( 4.771 -0.414 -3.985) 6.230 31.826 ( -3.741 6.011 1.658) 7.271 31.900 ( -4.829 6.992 -1.694) 8.665 31.943 ( -5.978 -4.721 1.769) 7.820 32.038 ( -6.719 -5.919 -2.610) 9.327 36.883 ( -0.502 0.070 1.260) 1.358 36.891 ( -0.616 -0.805 1.249) 1.608 36.937 ( -0.063 0.306 -1.276) 1.314 36.947 ( 0.011 -0.624 -1.356) 1.493 64.571 ( -5.747 7.179 7.541) 11.892 64.706 ( -8.004 -6.134 10.135) 14.297 64.915 ( -10.906 13.673 -9.237) 19.779 65.170 ( -13.968 -11.840 -12.524) 22.184 100.301 ( 2.751 0.539 0.726) 2.896 100.307 ( 2.649 0.161 0.879) 2.795 100.342 ( 2.695 0.408 -0.925) 2.878 100.360 ( 2.384 -1.308 -1.435) 3.074 ======================= Grid point 260 (94/120) ======================= q-point: ( 0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -2.914 8.224 6.031) 10.606 2.625 ( 1.499 3.696 4.466) 5.988 2.978 ( -4.107 4.603 -8.216) 10.274 2.991 ( -3.378 -1.018 -8.899) 9.573 3.178 ( 10.088 3.474 5.847) 12.167 3.287 ( 8.291 -5.234 8.458) 12.949 3.447 ( 8.590 3.789 -4.676) 10.488 3.551 ( 8.823 -5.739 -2.659) 10.857 4.048 ( 5.630 5.385 6.337) 10.043 4.104 ( 6.154 0.733 4.589) 7.711 4.266 ( 6.921 4.720 0.704) 8.407 4.398 ( 4.283 -5.815 -7.680) 10.543 4.770 ( 5.298 3.932 9.098) 11.238 4.799 ( 5.122 2.490 2.299) 6.141 4.967 ( -1.743 6.205 -1.161) 6.548 5.010 ( -0.812 2.822 0.149) 2.940 5.479 ( 3.390 2.773 -2.417) 5.003 5.517 ( 7.233 0.445 -4.055) 8.304 5.583 ( 7.914 -1.663 0.711) 8.118 5.637 ( 4.550 -7.250 -1.796) 8.746 5.777 ( -3.653 0.462 1.078) 3.836 5.835 ( -0.348 -4.954 6.281) 8.007 6.002 ( 1.151 -1.689 -2.163) 2.976 6.078 ( -0.370 -7.170 -0.308) 7.186 6.301 ( -1.209 2.946 4.879) 5.826 6.331 ( -0.461 0.008 3.023) 3.058 6.568 ( -0.059 0.880 -6.845) 6.901 6.600 ( -1.755 -1.651 -8.430) 8.767 7.058 ( 9.443 1.192 6.453) 11.499 7.110 ( 7.435 -3.589 4.927) 9.615 7.359 ( 4.083 1.812 -8.479) 9.583 7.384 ( 3.926 -1.037 -8.273) 9.216 14.058 ( 11.512 4.422 16.245) 20.396 14.147 ( 10.955 -4.541 18.345) 21.844 14.450 ( 12.414 7.992 -3.121) 15.090 14.605 ( 12.392 -7.547 -4.405) 15.163 16.829 ( -7.707 3.297 0.569) 8.402 16.866 ( -7.327 4.843 -1.220) 8.867 16.897 ( -6.266 -3.570 1.485) 7.363 16.969 ( -5.832 -5.400 -2.001) 8.196 18.414 ( 2.809 0.772 4.341) 5.228 18.430 ( 3.088 -0.889 4.241) 5.321 18.604 ( 4.294 0.570 -4.808) 6.471 18.616 ( 4.505 -0.614 -4.674) 6.521 31.758 ( -3.225 3.729 1.625) 5.191 31.817 ( -4.002 1.853 0.379) 4.426 31.839 ( -4.369 0.129 0.149) 4.374 31.924 ( -4.949 -4.434 -2.393) 7.062 36.875 ( -0.352 -0.110 1.522) 1.566 36.881 ( -0.429 -0.798 1.592) 1.832 36.939 ( 0.205 0.568 -1.580) 1.691 36.948 ( 0.141 -0.393 -1.660) 1.712 64.475 ( -3.913 4.759 5.445) 8.222 64.565 ( -6.308 -3.943 7.689) 10.698 64.721 ( -8.939 9.940 -6.367) 14.807 64.915 ( -12.186 -9.277 -9.210) 17.871 100.350 ( 2.197 0.554 0.671) 2.363 100.354 ( 2.192 0.297 0.642) 2.303 100.388 ( 2.032 0.006 -0.780) 2.176 100.399 ( 1.575 -0.973 -1.113) 2.160 ======================= Grid point 261 (95/120) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -4.858 13.246 4.030) 14.673 2.649 ( 0.481 -0.562 1.369) 1.556 2.838 ( -6.929 6.063 -9.727) 13.394 2.958 ( -1.717 -3.600 -9.682) 10.471 3.364 ( 8.066 2.631 7.900) 11.593 3.432 ( 6.593 -3.567 8.362) 11.231 3.605 ( 7.555 3.432 -3.932) 9.182 3.699 ( 5.913 -5.045 -3.351) 8.464 4.128 ( 2.495 5.373 6.622) 8.886 4.213 ( 4.929 -2.386 4.840) 7.309 4.393 ( 6.142 4.803 -0.597) 7.819 4.480 ( 4.125 -1.562 -7.096) 8.356 4.762 ( -4.358 8.943 1.990) 10.145 4.864 ( 0.182 -0.547 6.335) 6.361 4.947 ( -0.091 2.893 -1.566) 3.291 4.996 ( -0.788 -0.110 3.253) 3.349 5.497 ( 0.369 4.272 1.572) 4.567 5.535 ( -3.467 1.082 0.055) 3.633 5.639 ( -2.011 1.207 -0.710) 2.451 5.736 ( 3.680 -7.554 -4.233) 9.409 5.790 ( 5.379 1.964 5.683) 8.068 5.871 ( 2.807 -5.386 4.588) 7.612 6.069 ( 4.166 -3.561 -2.998) 6.247 6.096 ( 3.182 -6.331 -0.560) 7.108 6.287 ( -0.288 2.647 3.982) 4.790 6.320 ( -0.820 -0.522 2.342) 2.536 6.561 ( -0.391 0.538 -7.943) 7.971 6.578 ( -0.651 -0.900 -8.935) 9.004 7.234 ( 8.119 -0.288 3.589) 8.881 7.256 ( 6.767 -2.180 3.331) 7.851 7.424 ( 2.437 0.671 -5.948) 6.463 7.449 ( 2.367 -1.672 -5.923) 6.594 14.247 ( 7.715 4.225 16.055) 18.307 14.331 ( 7.617 -4.196 18.291) 20.253 14.653 ( 8.268 8.197 -3.900) 12.279 14.809 ( 8.366 -7.478 -5.346) 12.429 16.703 ( -5.148 4.596 0.709) 6.937 16.745 ( -5.020 6.128 -1.320) 8.031 16.796 ( -4.079 -4.779 1.716) 6.513 16.872 ( -3.941 -6.629 -2.061) 7.983 18.463 ( 2.159 1.019 4.951) 5.497 18.485 ( 2.363 -1.127 4.864) 5.524 18.677 ( 3.126 0.766 -5.348) 6.242 18.693 ( 3.286 -0.789 -5.151) 6.160 31.705 ( -2.148 2.036 1.800) 3.464 31.743 ( -3.245 -1.516 2.416) 4.320 31.780 ( -2.011 3.354 -1.689) 4.260 31.847 ( -3.002 -3.178 -2.506) 5.039 36.869 ( -0.181 -0.222 1.742) 1.765 36.875 ( -0.248 -0.760 1.835) 2.001 36.943 ( 0.245 0.648 -1.875) 1.999 36.951 ( 0.143 -0.148 -1.918) 1.929 64.423 ( -1.498 2.502 3.331) 4.427 64.468 ( -3.574 -1.726 5.099) 6.462 64.574 ( -5.986 6.389 -3.849) 9.564 64.704 ( -9.292 -6.424 -6.201) 12.887 100.384 ( 1.310 0.742 0.553) 1.604 100.391 ( 1.653 0.133 0.370) 1.699 100.419 ( 1.025 -0.346 -0.663) 1.269 100.422 ( 0.981 -0.592 -0.716) 1.351 ======================= Grid point 262 (96/120) ======================= q-point: ( 0.47 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -2.113 15.382 3.361) 15.886 2.652 ( 0.035 -7.559 1.608) 7.728 2.737 ( -2.986 13.381 -11.305) 17.770 2.934 ( -0.627 -5.509 -10.882) 12.213 3.468 ( 2.585 1.898 9.160) 9.705 3.537 ( 3.468 -4.942 6.873) 9.148 3.726 ( 4.380 1.408 -3.307) 5.666 3.764 ( 0.620 -2.091 -3.407) 4.046 4.150 ( 0.177 7.474 6.938) 10.200 4.286 ( 2.187 -6.242 4.315) 7.897 4.506 ( 5.388 7.211 -4.173) 9.922 4.549 ( 2.551 4.035 -7.623) 8.995 4.648 ( -6.211 10.628 4.168) 12.996 4.847 ( -0.966 -8.308 8.723) 12.086 4.939 ( -0.738 0.639 -3.567) 3.698 4.977 ( -0.700 -1.390 4.486) 4.748 5.478 ( -1.530 4.646 0.905) 4.974 5.523 ( 2.175 5.887 2.675) 6.823 5.580 ( -3.229 2.612 2.728) 4.969 5.775 ( 0.703 -9.207 -2.760) 9.637 5.875 ( 2.660 -0.955 5.753) 6.410 5.907 ( 0.589 -3.212 4.375) 5.460 6.140 ( 2.693 -2.579 -4.637) 5.950 6.164 ( 2.273 -5.352 -3.332) 6.702 6.287 ( 0.279 1.398 3.486) 3.766 6.301 ( -0.970 0.170 2.788) 2.957 6.558 ( 0.095 0.323 -8.456) 8.462 6.568 ( -0.410 -0.924 -9.238) 9.293 7.352 ( 2.725 -0.679 1.573) 3.219 7.356 ( 3.866 -1.291 1.428) 4.319 7.450 ( 0.254 -0.426 -3.385) 3.421 7.473 ( 0.335 -2.150 -3.971) 4.528 14.349 ( 2.687 4.216 15.943) 16.708 14.433 ( 2.692 -4.158 18.238) 18.899 14.763 ( 2.875 8.334 -4.326) 9.820 14.920 ( 2.920 -7.505 -5.823) 9.938 16.635 ( -1.799 5.378 0.775) 5.724 16.678 ( -1.775 6.886 -1.340) 7.236 16.742 ( -1.404 -5.494 1.848) 5.964 16.820 ( -1.385 -7.329 -2.035) 7.731 18.493 ( 0.816 1.160 5.289) 5.476 18.517 ( 0.892 -1.268 5.211) 5.437 18.720 ( 1.151 0.884 -5.624) 5.808 18.738 ( 1.212 -0.894 -5.389) 5.596 31.677 ( -0.742 1.137 1.938) 2.366 31.699 ( -1.158 -1.103 2.687) 3.127 31.755 ( -0.636 2.900 -1.879) 3.513 31.808 ( -1.007 -2.482 -2.634) 3.757 36.867 ( -0.053 -0.282 1.863) 1.885 36.872 ( -0.080 -0.720 1.958) 2.088 36.947 ( 0.104 0.650 -2.049) 2.152 36.953 ( 0.058 0.004 -2.061) 2.062 64.406 ( -0.550 2.122 2.227) 3.125 64.434 ( -0.106 -0.848 2.416) 2.563 64.499 ( -1.399 2.659 -2.344) 3.811 64.562 ( -4.992 -3.499 -3.579) 7.069 100.401 ( 0.439 0.880 0.439) 1.077 100.416 ( 0.862 -0.333 0.216) 0.949 100.427 ( -0.038 0.075 -0.532) 0.538 100.437 ( 0.419 -0.662 -0.522) 0.942 ======================= Grid point 300 (97/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 0.000 -23.222) 23.222 1.950 ( 0.000 0.000 23.222) 23.222 1.981 ( 0.000 0.000 -23.782) 23.782 1.981 ( 0.000 0.000 23.782) 23.782 2.778 ( 0.000 0.000 -14.745) 14.745 2.778 ( 0.000 0.000 14.745) 14.745 3.327 ( 0.000 0.000 -15.396) 15.396 3.327 ( 0.000 0.000 15.396) 15.396 3.492 ( 0.000 0.000 -18.368) 18.368 3.492 ( 0.000 0.000 18.368) 18.368 3.516 ( 0.000 0.000 -32.010) 32.010 3.516 ( 0.000 0.000 32.010) 32.010 4.063 ( 0.000 0.000 -0.700) 0.700 4.063 ( 0.000 0.000 0.700) 0.700 4.849 ( 0.000 0.000 -7.641) 7.641 4.849 ( 0.000 0.000 7.641) 7.641 4.942 ( 0.000 0.000 -4.183) 4.183 4.942 ( 0.000 0.000 4.183) 4.183 5.438 ( 0.000 0.000 -4.139) 4.139 5.438 ( 0.000 0.000 4.139) 4.139 5.798 ( 0.000 0.000 -4.460) 4.460 5.798 ( 0.000 0.000 4.460) 4.460 5.885 ( 0.000 0.000 -1.664) 1.664 5.885 ( 0.000 0.000 1.664) 1.664 5.988 ( 0.000 0.000 -11.283) 11.283 5.988 ( 0.000 0.000 11.283) 11.283 6.253 ( 0.000 0.000 -3.480) 3.480 6.253 ( 0.000 0.000 3.480) 3.480 7.050 ( 0.000 0.000 -9.130) 9.130 7.050 ( 0.000 0.000 9.130) 9.130 7.732 ( 0.000 0.000 -0.889) 0.889 7.732 ( 0.000 0.000 0.889) 0.889 13.233 ( 0.000 0.000 -6.681) 6.681 13.233 ( 0.000 0.000 6.681) 6.681 14.321 ( 0.000 0.000 -12.946) 12.946 14.321 ( 0.000 0.000 12.946) 12.946 17.371 ( 0.000 0.000 -1.349) 1.349 17.371 ( 0.000 0.000 1.349) 1.349 17.465 ( 0.000 0.000 -1.753) 1.753 17.465 ( 0.000 0.000 1.753) 1.753 18.250 ( 0.000 0.000 -0.327) 0.327 18.250 ( 0.000 0.000 0.327) 0.327 18.307 ( 0.000 0.000 -0.875) 0.875 18.307 ( 0.000 0.000 0.875) 0.875 31.728 ( 0.000 0.000 -0.741) 0.741 31.728 ( 0.000 0.000 0.741) 0.741 32.561 ( 0.000 0.000 -1.875) 1.875 32.561 ( 0.000 0.000 1.875) 1.875 36.957 ( 0.000 0.000 -1.587) 1.587 36.957 ( 0.000 0.000 1.587) 1.587 36.978 ( 0.000 0.000 -0.253) 0.253 36.978 ( 0.000 0.000 0.253) 0.253 64.717 ( 0.000 0.000 -6.001) 6.001 64.717 ( 0.000 0.000 6.001) 6.001 65.773 ( 0.000 0.000 -22.003) 22.003 65.773 ( 0.000 0.000 22.003) 22.003 100.141 ( 0.000 0.000 -0.057) 0.057 100.141 ( 0.000 0.000 0.057) 0.057 100.160 ( 0.000 0.000 -0.058) 0.058 100.160 ( 0.000 0.000 0.058) 0.058 ======================= Grid point 302 (98/120) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.384 0.000 -8.787) 9.417 1.956 ( 3.384 0.000 8.787) 9.417 2.125 ( 11.231 0.000 -9.316) 14.591 2.125 ( 11.231 0.000 9.316) 14.591 2.838 ( 5.856 0.000 -14.140) 15.305 2.838 ( 5.856 0.000 14.140) 15.305 3.352 ( 2.340 0.000 -13.652) 13.851 3.352 ( 2.340 0.000 13.652) 13.851 3.534 ( 4.050 0.000 -22.752) 23.109 3.534 ( 4.050 0.000 22.752) 23.109 3.555 ( 4.231 0.000 -25.310) 25.662 3.555 ( 4.231 0.000 25.310) 25.662 4.075 ( 1.500 0.000 -0.414) 1.556 4.075 ( 1.500 0.000 0.414) 1.556 4.841 ( -0.576 0.000 -8.508) 8.527 4.841 ( -0.576 0.000 8.508) 8.527 5.000 ( 5.629 0.000 -5.526) 7.889 5.000 ( 5.629 0.000 5.526) 7.889 5.448 ( 1.017 0.000 -3.442) 3.589 5.448 ( 1.017 0.000 3.442) 3.589 5.813 ( 1.203 0.000 -3.160) 3.381 5.813 ( 1.203 0.000 3.160) 3.381 5.924 ( 2.819 0.000 -5.476) 6.159 5.924 ( 2.819 0.000 5.476) 6.159 5.997 ( 2.322 0.000 -5.736) 6.188 5.997 ( 2.322 0.000 5.736) 6.188 6.303 ( 4.999 0.000 -2.435) 5.560 6.303 ( 4.999 0.000 2.435) 5.560 7.041 ( -0.924 0.000 -9.072) 9.119 7.041 ( -0.924 0.000 9.072) 9.119 7.657 ( -7.465 0.000 -0.343) 7.473 7.657 ( -7.465 0.000 0.343) 7.473 13.284 ( 5.254 0.000 -6.812) 8.603 13.284 ( 5.254 0.000 6.813) 8.603 14.270 ( -4.411 0.000 -8.292) 9.392 14.270 ( -4.411 0.000 8.292) 9.392 17.347 ( -2.470 0.000 -1.318) 2.800 17.347 ( -2.470 0.000 1.318) 2.800 17.436 ( -3.002 0.000 -1.082) 3.191 17.436 ( -3.002 0.000 1.082) 3.191 18.265 ( 1.451 0.000 -0.152) 1.459 18.265 ( 1.451 0.000 0.152) 1.459 18.315 ( 0.832 0.000 -0.595) 1.023 18.315 ( 0.832 0.000 0.595) 1.023 31.725 ( -0.284 0.000 -0.721) 0.774 31.725 ( -0.284 0.000 0.721) 0.774 32.522 ( -3.892 0.000 -1.904) 4.333 32.522 ( -3.892 0.000 1.904) 4.333 36.949 ( -0.678 0.000 -1.505) 1.650 36.949 ( -0.678 0.000 1.505) 1.650 36.977 ( -0.189 0.000 -0.165) 0.251 36.977 ( -0.189 0.000 0.165) 0.251 64.696 ( -2.042 0.000 -5.874) 6.219 64.696 ( -2.042 0.000 5.874) 6.219 65.722 ( -5.202 0.000 -21.527) 22.147 65.722 ( -5.202 0.000 21.527) 22.147 100.154 ( 1.325 0.000 -0.098) 1.328 100.154 ( 1.325 0.000 0.098) 1.328 100.184 ( 2.303 0.000 -0.517) 2.361 100.184 ( 2.303 0.000 0.517) 2.361 ======================= Grid point 304 (99/120) ======================= q-point: ( 0.13 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 8.173 0.000 -7.681) 11.215 2.075 ( 8.173 0.000 7.681) 11.215 2.370 ( 13.009 0.000 -8.900) 15.762 2.370 ( 13.009 0.000 8.900) 15.762 2.978 ( 7.557 0.000 -12.289) 14.427 2.978 ( 7.557 0.000 12.289) 14.427 3.405 ( 2.880 0.000 -10.462) 10.852 3.405 ( 2.880 0.000 10.462) 10.852 3.636 ( 6.375 0.000 -21.660) 22.579 3.636 ( 6.375 0.000 21.660) 22.579 3.677 ( 7.903 0.000 -17.068) 18.809 3.677 ( 7.903 0.000 17.068) 18.809 4.144 ( 6.346 0.000 -4.909) 8.023 4.144 ( 6.346 0.000 4.909) 8.023 4.828 ( -0.911 0.000 -9.897) 9.939 4.828 ( -0.911 0.000 9.897) 9.939 5.140 ( 8.086 0.000 -8.015) 11.386 5.140 ( 8.086 0.000 8.015) 11.386 5.485 ( 3.140 0.000 -1.950) 3.696 5.485 ( 3.140 0.000 1.950) 3.696 5.825 ( -0.235 0.000 -2.402) 2.414 5.825 ( -0.235 0.000 2.402) 2.414 5.962 ( 2.175 0.000 -5.761) 6.158 5.962 ( 2.175 0.000 5.761) 6.158 6.116 ( 8.671 0.000 -0.934) 8.722 6.116 ( 8.671 0.000 0.934) 8.722 6.437 ( 8.474 0.000 -0.286) 8.478 6.437 ( 8.474 0.000 0.286) 8.478 7.015 ( -1.689 0.000 -8.931) 9.089 7.015 ( -1.689 0.000 8.931) 9.089 7.459 ( -12.147 0.000 -0.551) 12.160 7.459 ( -12.147 0.000 0.551) 12.160 13.433 ( 9.856 0.000 -7.082) 12.136 13.433 ( 9.856 0.000 7.082) 12.136 14.200 ( -1.619 0.000 -0.723) 1.773 14.200 ( -1.619 0.000 0.723) 1.773 17.274 ( -5.269 0.000 -0.937) 5.352 17.274 ( -5.269 0.000 0.937) 5.352 17.351 ( -5.429 0.000 -0.495) 5.452 17.351 ( -5.429 0.000 0.495) 5.452 18.305 ( 2.689 0.000 -0.026) 2.689 18.305 ( 2.689 0.000 0.026) 2.689 18.340 ( 1.760 0.000 -0.180) 1.769 18.340 ( 1.760 0.000 0.180) 1.769 31.717 ( -0.515 0.000 -0.662) 0.839 31.717 ( -0.515 0.000 0.662) 0.839 32.416 ( -6.850 0.000 -2.011) 7.139 32.416 ( -6.850 0.000 2.011) 7.139 36.934 ( -0.889 0.000 -1.375) 1.637 36.934 ( -0.889 0.000 1.375) 1.637 36.971 ( -0.460 0.000 -0.053) 0.463 36.971 ( -0.460 0.000 0.053) 0.463 64.640 ( -3.627 0.000 -5.464) 6.558 64.640 ( -3.627 0.000 5.464) 6.558 65.577 ( -9.491 0.000 -20.062) 22.194 65.577 ( -9.491 0.000 20.062) 22.194 100.190 ( 2.294 0.000 -0.165) 2.300 100.190 ( 2.294 0.000 0.165) 2.300 100.241 ( 3.327 0.000 -1.270) 3.561 100.241 ( 3.327 0.000 1.270) 3.561 ======================= Grid point 306 (100/120) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 7.489 0.000 -4.910) 8.955 2.237 ( 7.489 0.000 4.910) 8.955 2.604 ( 10.822 0.000 -8.507) 13.765 2.604 ( 10.822 0.000 8.507) 13.765 3.096 ( 4.207 0.000 -7.568) 8.659 3.096 ( 4.207 0.000 7.568) 8.659 3.455 ( 2.142 0.000 -8.326) 8.597 3.455 ( 2.142 0.000 8.326) 8.597 3.784 ( 8.934 0.000 -11.460) 14.531 3.784 ( 8.934 0.000 11.460) 14.531 3.853 ( 10.061 0.000 -14.898) 17.977 3.853 ( 10.061 0.000 14.898) 17.977 4.328 ( 12.037 0.000 -9.464) 15.313 4.328 ( 12.037 0.000 9.464) 15.313 4.798 ( -2.447 0.000 -10.229) 10.517 4.798 ( -2.447 0.000 10.229) 10.517 5.291 ( 7.203 0.000 -8.534) 11.167 5.291 ( 7.203 0.000 8.534) 11.167 5.581 ( 6.750 0.000 -1.278) 6.870 5.581 ( 6.750 0.000 1.278) 6.870 5.807 ( -1.441 0.000 -5.248) 5.442 5.807 ( -1.441 0.000 5.248) 5.442 6.022 ( 3.852 0.000 -2.662) 4.683 6.022 ( 3.852 0.000 2.662) 4.683 6.284 ( 7.521 0.000 -0.891) 7.574 6.284 ( 7.521 0.000 0.891) 7.574 6.616 ( 9.153 0.000 -1.571) 9.287 6.616 ( 9.153 0.000 1.571) 9.287 6.966 ( -3.908 0.000 -10.097) 10.827 6.966 ( -3.908 0.000 10.097) 10.827 7.240 ( -8.121 0.000 -0.898) 8.170 7.240 ( -8.121 0.000 0.898) 8.170 13.657 ( 12.976 0.000 -7.287) 14.882 13.657 ( 12.976 0.000 7.287) 14.882 14.232 ( 5.051 0.000 -7.676) 9.189 14.232 ( 5.051 0.000 7.676) 9.189 17.137 ( -8.708 0.000 -0.293) 8.713 17.137 ( -8.708 0.000 0.293) 8.713 17.241 ( -5.692 0.000 -2.127) 6.076 17.241 ( -5.692 0.000 2.127) 6.076 18.365 ( 3.300 0.000 -1.544) 3.643 18.365 ( 3.300 0.000 1.543) 3.643 18.385 ( 3.004 0.000 -1.499) 3.358 18.385 ( 3.004 0.000 1.499) 3.358 31.706 ( -0.650 0.000 -0.576) 0.869 31.706 ( -0.650 0.000 0.576) 0.869 32.266 ( -8.296 0.000 -2.233) 8.592 32.266 ( -8.296 0.000 2.233) 8.592 36.918 ( -0.714 0.000 -1.152) 1.355 36.918 ( -0.714 0.000 1.152) 1.355 36.960 ( -0.629 0.000 -0.066) 0.632 36.960 ( -0.629 0.000 0.066) 0.632 64.561 ( -4.371 0.000 -4.701) 6.419 64.561 ( -4.371 0.000 4.701) 6.419 65.365 ( -12.093 0.000 -17.712) 21.446 65.365 ( -12.093 0.000 17.712) 21.446 100.239 ( 2.726 0.000 -0.183) 2.732 100.239 ( 2.726 0.000 0.183) 2.732 100.306 ( 3.204 0.000 -1.556) 3.562 100.306 ( 3.204 0.000 1.556) 3.562 ======================= Grid point 308 (101/120) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.916 0.000 -2.402) 2.571 2.326 ( 0.916 0.000 2.402) 2.571 2.779 ( 6.807 0.000 -10.157) 12.226 2.779 ( 6.807 0.000 10.157) 12.227 3.164 ( 4.070 0.000 -1.338) 4.284 3.164 ( 4.070 0.000 1.338) 4.284 3.494 ( 2.107 0.000 -8.259) 8.524 3.494 ( 2.107 0.000 8.260) 8.524 3.973 ( 9.919 0.000 -6.397) 11.802 3.973 ( 9.919 0.000 6.397) 11.802 4.061 ( 11.178 0.000 -11.846) 16.287 4.061 ( 11.178 0.000 11.846) 16.287 4.574 ( 12.024 0.000 -7.770) 14.316 4.574 ( 12.024 0.000 7.770) 14.316 4.729 ( -4.337 0.000 -9.545) 10.484 4.729 ( -4.337 0.000 9.545) 10.484 5.423 ( 6.637 0.000 -4.964) 8.288 5.423 ( 6.637 0.000 4.964) 8.288 5.731 ( 7.798 0.000 -0.381) 7.808 5.731 ( 7.798 0.000 0.381) 7.808 5.768 ( -2.437 0.000 -1.962) 3.129 5.768 ( -2.437 0.000 1.962) 3.129 6.107 ( 4.735 0.000 -1.796) 5.064 6.107 ( 4.735 0.000 1.796) 5.064 6.378 ( 1.879 0.000 -2.513) 3.138 6.378 ( 1.879 0.000 2.513) 3.138 6.671 ( -6.493 0.000 -0.304) 6.500 6.671 ( -6.493 0.000 0.304) 6.500 6.958 ( 7.510 0.000 -8.035) 10.998 6.958 ( 7.510 0.000 8.035) 10.998 7.202 ( 3.129 0.000 -4.555) 5.526 7.202 ( 3.129 0.000 4.555) 5.526 13.921 ( 13.702 0.000 -7.481) 15.612 13.921 ( 13.702 0.000 7.481) 15.612 14.382 ( 9.793 0.000 -11.482) 15.091 14.382 ( 9.793 0.000 11.482) 15.091 16.950 ( -10.152 0.000 -0.353) 10.158 16.950 ( -10.152 0.000 0.353) 10.158 17.133 ( -5.329 0.000 -2.772) 6.006 17.133 ( -5.329 0.000 2.772) 6.006 18.429 ( 3.301 0.000 -4.172) 5.320 18.429 ( 3.301 0.000 4.172) 5.320 18.457 ( 4.156 0.000 -3.918) 5.711 18.457 ( 4.156 0.000 3.918) 5.711 31.693 ( -0.665 0.000 -0.480) 0.820 31.693 ( -0.665 0.000 0.480) 0.820 32.104 ( -8.151 0.000 -2.571) 8.547 32.104 ( -8.151 0.000 2.571) 8.547 36.907 ( -0.375 0.000 -0.812) 0.894 36.907 ( -0.375 0.000 0.812) 0.894 36.947 ( -0.643 0.000 -0.193) 0.671 36.947 ( -0.643 0.000 0.193) 0.671 64.478 ( -4.038 0.000 -3.512) 5.351 64.478 ( -4.038 0.000 3.512) 5.351 65.121 ( -12.737 0.000 -14.790) 19.518 65.121 ( -12.737 0.000 14.790) 19.518 100.292 ( 2.637 0.000 -0.091) 2.638 100.292 ( 2.637 0.000 0.091) 2.638 100.362 ( 2.580 0.000 -1.302) 2.890 100.362 ( 2.580 0.000 1.302) 2.890 ======================= Grid point 310 (102/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -6.327 0.000 -1.345) 6.468 2.268 ( -6.327 0.000 1.345) 6.468 2.863 ( 2.216 0.000 -9.416) 9.673 2.863 ( 2.216 0.000 9.416) 9.674 3.288 ( 8.655 0.000 -6.208) 10.651 3.288 ( 8.655 0.000 6.208) 10.651 3.546 ( 3.265 0.000 -8.686) 9.279 3.546 ( 3.265 0.000 8.686) 9.279 4.145 ( 7.286 0.000 -2.625) 7.744 4.145 ( 7.286 0.000 2.626) 7.744 4.268 ( 9.450 0.000 -8.208) 12.517 4.268 ( 9.450 0.000 8.208) 12.517 4.603 ( -5.562 0.000 -7.611) 9.427 4.603 ( -5.562 0.000 7.611) 9.427 4.806 ( 9.183 0.000 -4.954) 10.434 4.806 ( 9.183 0.000 4.954) 10.434 5.545 ( 5.009 0.000 -0.996) 5.108 5.545 ( 5.009 0.000 0.996) 5.108 5.681 ( -5.101 0.000 -2.759) 5.799 5.681 ( -5.101 0.000 2.759) 5.799 5.891 ( 7.595 0.000 -2.373) 7.957 5.891 ( 7.595 0.000 2.373) 7.957 6.199 ( 4.511 0.000 -0.876) 4.595 6.199 ( 4.511 0.000 0.876) 4.595 6.371 ( -2.003 0.000 -5.756) 6.095 6.371 ( -2.003 0.000 5.756) 6.095 6.515 ( -6.881 0.000 -2.720) 7.399 6.515 ( -6.881 0.000 2.720) 7.399 7.156 ( 10.602 0.000 -3.508) 11.167 7.156 ( 10.602 0.000 3.508) 11.167 7.304 ( 6.314 0.000 -5.757) 8.544 7.304 ( 6.314 0.000 5.757) 8.544 14.171 ( 11.702 0.000 -7.776) 14.050 14.171 ( 11.702 0.000 7.776) 14.050 14.586 ( 10.454 0.000 -13.395) 16.992 14.586 ( 10.454 0.000 13.395) 16.992 16.758 ( -9.219 0.000 -0.605) 9.239 16.758 ( -9.219 0.000 0.605) 9.239 17.038 ( -4.392 0.000 -3.014) 5.327 17.038 ( -4.392 0.000 3.014) 5.327 18.493 ( 3.213 0.000 -5.186) 6.101 18.493 ( 3.213 0.000 5.186) 6.101 18.539 ( 4.128 0.000 -4.773) 6.310 18.539 ( 4.128 0.000 4.773) 6.310 31.681 ( -0.555 0.000 -0.396) 0.681 31.681 ( -0.555 0.000 0.396) 0.681 31.958 ( -6.701 0.000 -2.972) 7.331 31.958 ( -6.701 0.000 2.972) 7.331 36.903 ( -0.085 0.000 -0.415) 0.423 36.903 ( -0.085 0.000 0.415) 0.423 36.936 ( -0.527 0.000 -0.311) 0.612 36.936 ( -0.527 0.000 0.311) 0.612 64.412 ( -2.608 0.000 -1.842) 3.192 64.412 ( -2.608 0.000 1.842) 3.192 64.882 ( -11.633 0.000 -11.602) 16.430 64.882 ( -11.633 0.000 11.602) 16.430 100.339 ( 2.149 0.000 -0.133) 2.153 100.339 ( 2.149 0.000 0.133) 2.153 100.405 ( 1.828 0.000 -0.751) 1.976 100.405 ( 1.828 0.000 0.751) 1.976 ======================= Grid point 312 (103/120) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -7.851 0.000 -0.871) 7.899 2.119 ( -7.851 0.000 0.871) 7.899 2.883 ( 0.160 0.000 -4.477) 4.480 2.883 ( 0.160 0.000 4.478) 4.480 3.482 ( 10.800 0.000 -4.084) 11.547 3.482 ( 10.800 0.000 4.084) 11.547 3.612 ( 3.298 0.000 -8.123) 8.767 3.612 ( 3.298 0.000 8.123) 8.767 4.216 ( -1.637 0.000 -3.329) 3.709 4.216 ( -1.637 0.000 3.329) 3.710 4.383 ( 2.054 0.000 -1.884) 2.787 4.383 ( 2.054 0.000 1.884) 2.787 4.563 ( 3.483 0.000 -14.345) 14.762 4.563 ( 3.483 0.000 14.345) 14.762 4.950 ( 5.471 0.000 -0.071) 5.471 4.950 ( 5.471 0.000 0.071) 5.471 5.493 ( -7.945 0.000 -3.789) 8.802 5.493 ( -7.945 0.000 3.789) 8.802 5.694 ( 4.460 0.000 -2.723) 5.225 5.694 ( 4.460 0.000 2.723) 5.225 6.025 ( 6.159 0.000 -0.469) 6.177 6.025 ( 6.159 0.000 0.469) 6.177 6.259 ( 0.533 0.000 -1.162) 1.279 6.259 ( 0.533 0.000 1.162) 1.279 6.326 ( -1.297 0.000 -6.634) 6.760 6.326 ( -1.297 0.000 6.634) 6.760 6.432 ( -1.993 0.000 -0.248) 2.008 6.432 ( -1.993 0.000 0.248) 2.008 7.337 ( 7.751 0.000 -1.510) 7.897 7.337 ( 7.752 0.000 1.510) 7.897 7.418 ( 4.848 0.000 -4.417) 6.559 7.418 ( 4.848 0.000 4.417) 6.559 14.362 ( 7.675 0.000 -8.057) 11.127 14.362 ( 7.675 0.000 8.057) 11.127 14.765 ( 7.584 0.000 -14.300) 16.186 14.765 ( 7.584 0.000 14.300) 16.187 16.604 ( -6.379 0.000 -0.838) 6.434 16.604 ( -6.379 0.000 0.838) 6.434 16.967 ( -2.831 0.000 -3.079) 4.183 16.967 ( -2.831 0.000 3.079) 4.183 18.549 ( 2.418 0.000 -5.856) 6.336 18.549 ( 2.418 0.000 5.856) 6.336 18.610 ( 3.080 0.000 -5.336) 6.162 18.610 ( 3.080 0.000 5.336) 6.162 31.672 ( -0.345 0.000 -0.354) 0.494 31.672 ( -0.345 0.000 0.354) 0.494 31.850 ( -4.371 0.000 -3.350) 5.507 31.850 ( -4.371 0.000 3.350) 5.507 36.903 ( 0.049 0.000 -0.049) 0.069 36.903 ( 0.049 0.000 0.049) 0.069 36.927 ( -0.338 0.000 -0.415) 0.535 36.927 ( -0.338 0.000 0.415) 0.535 64.382 ( -0.346 0.000 -0.330) 0.478 64.382 ( -0.346 0.000 0.330) 0.478 64.678 ( -9.133 0.000 -8.343) 12.371 64.678 ( -9.133 0.000 8.343) 12.371 100.374 ( 1.396 0.000 -0.439) 1.463 100.374 ( 1.396 0.000 0.439) 1.463 100.433 ( 1.076 0.000 -0.150) 1.087 100.433 ( 1.076 0.000 0.150) 1.087 ======================= Grid point 314 (104/120) ======================= q-point: ( 0.47 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -3.433 0.000 -0.627) 3.490 2.002 ( -3.433 0.000 0.628) 3.490 2.881 ( -0.179 0.000 -1.133) 1.147 2.881 ( -0.179 0.000 1.133) 1.147 3.656 ( 2.179 0.000 -8.441) 8.717 3.656 ( 2.179 0.000 8.441) 8.717 3.681 ( 6.840 0.000 -1.469) 6.996 3.681 ( 6.840 0.000 1.469) 6.996 4.108 ( -6.195 0.000 -7.428) 9.672 4.108 ( -6.195 0.000 7.428) 9.672 4.414 ( 1.067 0.000 -1.584) 1.910 4.414 ( 1.067 0.000 1.584) 1.910 4.655 ( 3.530 0.000 -14.403) 14.829 4.655 ( 3.530 0.000 14.403) 14.829 5.019 ( 1.736 0.000 -2.758) 3.258 5.019 ( 1.736 0.000 2.758) 3.258 5.360 ( -4.328 0.000 -3.207) 5.387 5.360 ( -4.328 0.000 3.207) 5.387 5.760 ( 1.860 0.000 -4.746) 5.098 5.760 ( 1.860 0.000 4.747) 5.098 6.128 ( 4.278 0.000 -4.967) 6.555 6.128 ( 4.278 0.000 4.967) 6.555 6.217 ( -3.237 0.000 -2.514) 4.098 6.217 ( -3.237 0.000 2.514) 4.098 6.333 ( 0.618 0.000 -5.099) 5.136 6.333 ( 0.618 0.000 5.099) 5.136 6.415 ( -0.197 0.000 -4.569) 4.573 6.415 ( -0.197 0.000 4.569) 4.573 7.449 ( 3.660 0.000 -0.505) 3.695 7.449 ( 3.660 0.000 0.505) 3.695 7.476 ( 0.928 0.000 -2.081) 2.278 7.476 ( 0.928 0.000 2.081) 2.278 14.463 ( 2.648 0.000 -8.213) 8.629 14.463 ( 2.648 0.000 8.213) 8.629 14.867 ( 2.719 0.000 -14.635) 14.886 14.867 ( 2.719 0.000 14.636) 14.886 16.519 ( -2.273 0.000 -0.978) 2.475 16.519 ( -2.273 0.000 0.978) 2.475 16.930 ( -0.963 0.000 -3.064) 3.212 16.930 ( -0.963 0.000 3.064) 3.212 18.582 ( 0.905 0.000 -6.220) 6.285 18.582 ( 0.905 0.000 6.220) 6.285 18.652 ( 1.149 0.000 -5.643) 5.759 18.652 ( 1.149 0.000 5.644) 5.759 31.668 ( -0.105 0.000 -0.369) 0.383 31.668 ( -0.105 0.000 0.369) 0.383 31.792 ( -1.524 0.000 -3.609) 3.918 31.792 ( -1.524 0.000 3.609) 3.918 36.904 ( 0.037 0.000 -0.190) 0.193 36.904 ( 0.037 0.000 0.190) 0.193 36.923 ( -0.117 0.000 -0.496) 0.510 36.923 ( -0.117 0.000 0.496) 0.510 64.396 ( 1.421 0.000 -2.959) 3.283 64.396 ( 1.421 0.000 2.959) 3.283 64.538 ( -4.740 0.000 -5.153) 7.002 64.538 ( -4.740 0.000 5.153) 7.002 100.392 ( 0.484 0.000 -0.681) 0.835 100.392 ( 0.484 0.000 0.681) 0.835 100.447 ( 0.353 0.000 -0.255) 0.436 100.447 ( 0.353 0.000 0.255) 0.436 ======================= Grid point 330 (105/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.000 5.926 -22.542) 23.308 2.039 ( 0.000 5.926 22.542) 23.308 2.143 ( 0.000 16.594 -19.361) 25.499 2.143 ( 0.000 16.594 19.361) 25.499 2.687 ( 0.000 -8.441 -15.707) 17.832 2.687 ( 0.000 -8.441 15.707) 17.832 3.066 ( 0.000 -15.494 -7.565) 17.242 3.066 ( 0.000 -15.494 7.565) 17.242 3.566 ( 0.000 5.896 -29.304) 29.892 3.566 ( 0.000 5.896 29.304) 29.892 3.746 ( 0.000 13.934 -10.171) 17.252 3.746 ( 0.000 13.934 10.171) 17.252 4.117 ( 0.000 5.089 -5.137) 7.231 4.117 ( 0.000 5.089 5.137) 7.231 4.931 ( 0.000 -6.218 -3.004) 6.906 4.931 ( 0.000 -6.218 3.004) 6.906 4.983 ( 0.000 12.350 -8.776) 15.151 4.983 ( 0.000 12.350 8.776) 15.151 5.147 ( 0.000 -16.244 -13.652) 21.219 5.147 ( 0.000 -16.244 13.652) 21.219 5.701 ( 0.000 -8.673 -5.935) 10.509 5.701 ( 0.000 -8.673 5.935) 10.509 5.795 ( 0.000 -6.257 -5.105) 8.076 5.795 ( 0.000 -6.257 5.105) 8.076 6.251 ( 0.000 15.813 -10.249) 18.844 6.251 ( 0.000 15.813 10.249) 18.844 6.326 ( 0.000 6.273 -3.466) 7.167 6.326 ( 0.000 6.273 3.466) 7.167 7.077 ( 0.000 3.165 -8.771) 9.325 7.077 ( 0.000 3.165 8.771) 9.325 7.644 ( 0.000 -8.682 -1.361) 8.789 7.644 ( 0.000 -8.682 1.361) 8.789 13.282 ( 0.000 5.230 -6.805) 8.583 13.282 ( 0.000 5.230 6.805) 8.583 14.129 ( 0.000 -17.755 -6.968) 19.073 14.129 ( 0.000 -17.755 6.968) 19.073 17.392 ( 0.000 1.851 -0.820) 2.024 17.392 ( 0.000 1.851 0.820) 2.024 17.462 ( 0.000 -0.298 -1.706) 1.732 17.462 ( 0.000 -0.298 1.706) 1.732 18.254 ( 0.000 0.364 -0.378) 0.525 18.254 ( 0.000 0.364 0.378) 0.525 18.298 ( 0.000 -0.808 -0.727) 1.087 18.298 ( 0.000 -0.808 0.727) 1.087 31.858 ( 0.000 12.143 -3.193) 12.556 31.858 ( 0.000 12.143 3.193) 12.556 32.513 ( 0.000 -4.980 -3.441) 6.054 32.513 ( 0.000 -4.980 3.441) 6.054 36.951 ( 0.000 -0.521 -1.734) 1.811 36.951 ( 0.000 -0.521 1.734) 1.811 36.965 ( 0.000 -1.138 -0.696) 1.334 36.965 ( 0.000 -1.138 0.696) 1.334 64.879 ( 0.000 15.255 -10.672) 18.617 64.879 ( 0.000 15.255 10.672) 18.617 65.713 ( 0.000 -6.318 -21.934) 22.826 65.713 ( 0.000 -6.318 21.934) 22.826 100.143 ( 0.000 0.253 -0.104) 0.274 100.143 ( 0.000 0.253 0.104) 0.274 100.159 ( 0.000 -0.143 -0.104) 0.177 100.159 ( 0.000 -0.143 0.104) 0.177 ======================= Grid point 332 (106/120) ======================= q-point: ( 0.07 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.989 9.523 -11.620) 15.830 2.087 ( 4.989 9.523 11.620) 15.830 2.242 ( 9.299 12.785 -8.349) 17.879 2.242 ( 9.299 12.785 8.349) 17.879 2.748 ( 5.935 -8.390 -15.021) 18.200 2.748 ( 5.935 -8.390 15.021) 18.200 3.106 ( 3.927 -15.138 -6.673) 17.004 3.106 ( 3.927 -15.138 6.673) 17.004 3.594 ( 2.929 5.708 -26.673) 27.433 3.594 ( 2.929 5.708 26.673) 27.433 3.778 ( 3.122 13.057 -10.904) 17.295 3.778 ( 3.122 13.057 10.904) 17.295 4.133 ( 1.912 5.489 -5.876) 8.265 4.133 ( 1.912 5.489 5.876) 8.265 4.927 ( -0.657 5.509 -5.356) 7.711 4.927 ( -0.657 5.509 5.356) 7.711 5.017 ( 3.601 -5.356 -2.723) 7.005 5.017 ( 3.601 -5.356 2.723) 7.005 5.186 ( 3.964 -9.835 -8.419) 13.540 5.186 ( 3.964 -9.835 8.419) 13.540 5.709 ( 1.450 -8.533 -4.786) 9.890 5.709 ( 1.450 -8.533 4.786) 9.890 5.866 ( 6.144 -5.106 -3.576) 8.753 5.866 ( 6.144 -5.106 3.576) 8.753 6.231 ( -1.458 14.211 -7.256) 16.022 6.231 ( -1.458 14.211 7.256) 16.022 6.367 ( 3.790 5.766 -1.940) 7.167 6.367 ( 3.790 5.766 1.940) 7.167 7.066 ( -1.124 2.892 -8.696) 9.233 7.066 ( -1.124 2.892 8.696) 9.233 7.577 ( -6.722 -7.948 -1.353) 10.497 7.577 ( -6.722 -7.948 1.353) 10.497 13.332 ( 5.125 5.055 -6.990) 10.034 13.332 ( 5.125 5.055 6.990) 10.034 14.103 ( -1.995 -15.468 -3.707) 16.031 14.103 ( -1.995 -15.468 3.707) 16.031 17.364 ( -2.852 1.525 -0.969) 3.376 17.364 ( -2.852 1.525 0.969) 3.376 17.432 ( -3.091 -0.392 -1.115) 3.309 17.432 ( -3.091 -0.392 1.115) 3.309 18.268 ( 1.390 0.305 -0.212) 1.439 18.268 ( 1.390 0.305 0.212) 1.439 18.307 ( 0.919 -0.729 -0.489) 1.271 18.307 ( 0.919 -0.729 0.489) 1.271 31.846 ( -1.161 11.363 -2.848) 11.772 31.846 ( -1.161 11.363 2.848) 11.772 32.475 ( -3.806 -4.892 -3.281) 7.013 32.475 ( -3.806 -4.892 3.281) 7.013 36.944 ( -0.659 -0.506 -1.533) 1.743 36.944 ( -0.659 -0.506 1.533) 1.743 36.965 ( -0.144 -1.103 -0.603) 1.265 36.965 ( -0.144 -1.103 0.603) 1.265 64.849 ( -3.001 14.404 -10.114) 17.855 64.849 ( -3.001 14.404 10.114) 17.855 65.661 ( -5.249 -6.366 -21.349) 22.888 65.661 ( -5.249 -6.366 21.349) 22.888 100.157 ( 1.377 0.312 -0.145) 1.420 100.157 ( 1.377 0.312 0.145) 1.420 100.181 ( 2.167 -0.286 -0.465) 2.235 100.181 ( 2.167 -0.286 0.465) 2.235 ======================= Grid point 334 (107/120) ======================= q-point: ( 0.13 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 8.462 12.131 -6.532) 16.169 2.223 ( 8.462 12.131 6.532) 16.169 2.460 ( 12.156 9.553 -4.134) 16.004 2.460 ( 12.156 9.553 4.134) 16.004 2.891 ( 7.898 -8.132 -12.997) 17.246 2.891 ( 7.898 -8.132 12.997) 17.246 3.205 ( 5.942 -13.753 -4.897) 15.762 3.205 ( 5.942 -13.753 4.897) 15.762 3.677 ( 5.483 5.281 -19.491) 20.925 3.677 ( 5.483 5.281 19.491) 20.925 3.859 ( 5.025 10.580 -11.616) 16.497 3.859 ( 5.025 10.580 11.616) 16.497 4.209 ( 6.493 6.229 -8.225) 12.190 4.209 ( 6.493 6.229 8.225) 12.190 4.909 ( -1.088 7.783 -6.679) 10.313 4.909 ( -1.088 7.783 6.679) 10.313 5.109 ( 5.614 -12.966 -3.463) 14.548 5.109 ( 5.614 -12.966 3.463) 14.548 5.296 ( 7.154 -3.589 -1.957) 8.239 5.296 ( 7.154 -3.589 1.957) 8.239 5.759 ( 3.258 -5.984 -3.467) 7.645 5.759 ( 3.258 -5.984 3.467) 7.645 5.994 ( 6.022 -2.624 -3.421) 7.406 5.994 ( 6.022 -2.624 3.421) 7.406 6.218 ( 0.834 10.150 -2.745) 10.548 6.218 ( 0.834 10.150 2.745) 10.548 6.467 ( 6.381 2.466 -1.268) 6.957 6.467 ( 6.381 2.466 1.268) 6.957 7.036 ( -1.846 2.337 -8.401) 8.913 7.036 ( -1.846 2.337 8.401) 8.913 7.401 ( -10.685 -5.768 -1.904) 12.290 7.401 ( -10.685 -5.768 1.904) 12.290 13.477 ( 9.702 4.670 -7.396) 13.063 13.477 ( 9.702 4.670 7.396) 13.063 14.086 ( 1.038 -10.799 -2.870) 11.222 14.086 ( 1.038 -10.799 2.870) 11.222 17.283 ( -5.576 0.908 -0.957) 5.730 17.283 ( -5.576 0.908 0.957) 5.730 17.345 ( -5.615 -0.615 -0.283) 5.656 17.345 ( -5.615 -0.615 0.283) 5.656 18.307 ( 2.599 0.159 -0.124) 2.607 18.307 ( 2.599 0.159 0.124) 2.607 18.334 ( 1.899 -0.522 -0.188) 1.978 18.334 ( 1.899 -0.522 0.188) 1.978 31.816 ( -1.810 9.417 -2.111) 9.819 31.816 ( -1.810 9.417 2.111) 9.819 32.372 ( -6.628 -4.571 -2.922) 8.566 32.372 ( -6.628 -4.571 2.922) 8.566 36.929 ( -0.812 -0.386 -1.289) 1.572 36.929 ( -0.812 -0.386 1.289) 1.572 36.959 ( -0.407 -1.061 -0.478) 1.233 36.959 ( -0.407 -1.061 0.478) 1.233 64.769 ( -5.036 12.297 -8.785) 15.929 64.769 ( -5.036 12.297 8.785) 15.929 65.516 ( -9.437 -6.343 -19.657) 22.709 65.516 ( -9.437 -6.343 19.657) 22.709 100.194 ( 2.365 0.449 -0.255) 2.421 100.194 ( 2.365 0.449 0.255) 2.421 100.236 ( 3.200 -0.556 -1.115) 3.434 100.236 ( 3.200 -0.556 1.115) 3.434 ======================= Grid point 336 (108/120) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 7.287 12.547 -5.678) 15.581 2.385 ( 7.287 12.547 5.678) 15.581 2.685 ( 10.548 8.400 -5.455) 14.546 2.685 ( 10.548 8.400 5.455) 14.546 3.021 ( 5.044 -7.192 -8.800) 12.434 3.021 ( 5.044 -7.192 8.800) 12.434 3.323 ( 5.960 -10.718 -4.815) 13.175 3.323 ( 5.960 -10.718 4.815) 13.175 3.800 ( 7.130 4.123 -10.329) 13.211 3.800 ( 7.130 4.123 10.329) 13.211 3.976 ( 7.212 7.208 -9.511) 13.944 3.976 ( 7.212 7.208 9.511) 13.944 4.389 ( 11.587 5.977 -10.661) 16.841 4.389 ( 11.587 5.977 10.661) 16.841 4.880 ( -2.172 7.471 -6.809) 10.340 4.880 ( -2.172 7.471 6.809) 10.340 5.230 ( 6.745 -10.019 -5.048) 13.090 5.230 ( 6.745 -10.019 5.048) 13.090 5.451 ( 8.490 -4.644 -5.455) 11.109 5.451 ( 8.490 -4.644 5.455) 11.109 5.817 ( 2.283 -0.954 -1.162) 2.734 5.817 ( 2.283 -0.954 1.162) 2.734 6.067 ( 1.823 0.667 -2.211) 2.942 6.067 ( 1.823 0.667 2.211) 2.942 6.283 ( 5.059 2.089 -1.528) 5.682 6.283 ( 5.059 2.089 1.528) 5.682 6.596 ( 5.752 -2.341 -2.867) 6.840 6.596 ( 5.752 -2.341 2.867) 6.840 6.995 ( -2.253 2.839 -9.438) 10.110 6.995 ( -2.253 2.839 9.438) 10.110 7.212 ( -6.753 -2.687 -3.363) 8.008 7.212 ( -6.753 -2.687 3.363) 8.008 13.699 ( 12.882 4.322 -7.776) 15.656 13.699 ( 12.882 4.322 7.776) 15.656 14.161 ( 6.738 -6.913 -8.216) 12.677 14.161 ( 6.738 -6.913 8.216) 12.677 17.145 ( -8.545 0.818 -0.290) 8.589 17.145 ( -8.545 0.818 0.290) 8.589 17.228 ( -6.139 -1.196 -1.689) 6.478 17.228 ( -6.139 -1.196 1.689) 6.478 18.365 ( 3.277 0.031 -1.728) 3.705 18.365 ( 3.277 0.031 1.728) 3.705 18.382 ( 3.079 -0.309 -1.670) 3.516 18.382 ( 3.079 -0.309 1.670) 3.516 31.779 ( -1.933 7.074 -1.435) 7.473 31.779 ( -1.933 7.074 1.435) 7.473 32.228 ( -7.926 -3.950 -2.635) 9.240 32.228 ( -7.926 -3.950 2.635) 9.240 36.914 ( -0.626 -0.224 -1.040) 1.235 36.914 ( -0.626 -0.224 1.040) 1.235 36.950 ( -0.545 -0.962 -0.508) 1.216 36.950 ( -0.545 -0.962 0.508) 1.216 64.662 ( -5.788 9.752 -7.162) 13.412 64.662 ( -5.788 9.752 7.162) 13.412 65.307 ( -11.818 -5.976 -17.122) 21.646 65.307 ( -11.818 -5.976 17.122) 21.646 100.245 ( 2.770 0.570 -0.303) 2.844 100.245 ( 2.770 0.570 0.303) 2.844 100.299 ( 3.162 -0.720 -1.378) 3.524 100.299 ( 3.162 -0.720 1.378) 3.524 ======================= Grid point 338 (109/120) ======================= q-point: ( 0.27 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 1.078 12.557 -2.746) 12.899 2.472 ( 1.078 12.557 2.746) 12.899 2.847 ( 5.217 6.622 -7.121) 11.035 2.847 ( 5.217 6.622 7.121) 11.035 3.110 ( 5.633 -4.852 -4.539) 8.710 3.110 ( 5.633 -4.852 4.539) 8.710 3.432 ( 5.337 -5.933 -6.671) 10.401 3.432 ( 5.337 -5.933 6.671) 10.401 3.954 ( 8.498 1.277 -4.767) 9.827 3.954 ( 8.498 1.277 4.767) 9.827 4.132 ( 8.470 3.725 -8.005) 12.235 4.132 ( 8.470 3.725 8.005) 12.235 4.629 ( 12.288 4.910 -9.100) 16.060 4.629 ( 12.288 4.910 9.100) 16.060 4.819 ( -4.113 8.793 -5.961) 11.392 4.819 ( -4.113 8.793 5.961) 11.392 5.368 ( 7.344 -6.091 -3.064) 10.021 5.368 ( 7.344 -6.091 3.064) 10.021 5.613 ( 7.658 -6.441 -6.658) 12.019 5.613 ( 7.658 -6.441 6.658) 12.019 5.833 ( -0.622 2.710 -2.747) 3.908 5.833 ( -0.622 2.710 2.747) 3.908 6.103 ( 2.376 -2.306 -1.524) 3.645 6.103 ( 2.376 -2.306 1.524) 3.645 6.361 ( 2.261 -0.144 -0.408) 2.302 6.361 ( 2.261 -0.144 0.408) 2.302 6.611 ( -4.795 -4.923 -2.999) 7.498 6.611 ( -4.795 -4.923 2.999) 7.498 7.012 ( 5.788 4.224 -9.181) 11.646 7.012 ( 5.788 4.224 9.181) 11.646 7.182 ( 2.865 -1.855 -5.515) 6.486 7.182 ( 2.865 -1.855 5.515) 6.486 13.962 ( 13.688 4.141 -8.130) 16.450 13.962 ( 13.688 4.141 8.130) 16.450 14.335 ( 10.588 -4.730 -11.339) 16.219 14.335 ( 10.588 -4.730 11.339) 16.219 16.964 ( -9.734 1.438 -0.262) 9.843 16.964 ( -9.734 1.438 0.262) 9.843 17.111 ( -5.830 -2.128 -2.403) 6.655 17.111 ( -5.830 -2.128 2.403) 6.655 18.430 ( 3.416 0.145 -4.169) 5.392 18.430 ( 3.416 0.145 4.169) 5.392 18.453 ( 4.080 -0.346 -3.959) 5.696 18.453 ( 4.080 -0.346 3.959) 5.696 31.743 ( -1.729 4.904 -1.028) 5.300 31.743 ( -1.729 4.904 1.028) 5.300 32.074 ( -7.698 -3.091 -2.624) 8.700 32.074 ( -7.698 -3.091 2.624) 8.700 36.905 ( -0.308 -0.089 -0.850) 0.908 36.905 ( -0.308 -0.089 0.850) 0.908 36.939 ( -0.534 -0.792 -0.715) 1.193 36.939 ( -0.534 -0.792 0.715) 1.193 64.552 ( -5.299 7.294 -5.383) 10.500 64.552 ( -5.299 7.294 5.383) 10.500 65.070 ( -12.236 -5.159 -14.118) 19.382 65.070 ( -12.236 -5.159 14.118) 19.382 100.298 ( 2.642 0.617 -0.225) 2.722 100.298 ( 2.642 0.617 0.225) 2.722 100.355 ( 2.600 -0.738 -1.162) 2.942 100.355 ( 2.600 -0.738 1.162) 2.942 ======================= Grid point 340 (110/120) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -5.515 13.689 -3.009) 15.061 2.424 ( -5.515 13.689 3.009) 15.061 2.886 ( -0.132 1.435 -6.667) 6.821 2.886 ( -0.132 1.435 6.667) 6.821 3.267 ( 9.917 -0.781 -6.722) 12.006 3.267 ( 9.917 -0.781 6.722) 12.006 3.534 ( 5.154 -1.854 -7.987) 9.685 3.534 ( 5.154 -1.854 7.987) 9.685 4.113 ( 7.395 -0.684 -3.288) 8.122 4.113 ( 7.395 -0.684 3.288) 8.122 4.286 ( 6.836 0.430 -6.714) 9.591 4.286 ( 6.836 0.430 6.714) 9.591 4.725 ( -4.777 9.977 -5.487) 12.348 4.725 ( -4.777 9.977 5.487) 12.348 4.844 ( 9.074 4.482 -4.373) 11.025 4.844 ( 9.074 4.482 4.373) 11.025 5.500 ( 5.325 -3.971 -2.002) 6.938 5.500 ( 5.325 -3.971 2.002) 6.938 5.686 ( -1.669 -0.974 -5.949) 6.255 5.686 ( -1.669 -0.974 5.949) 6.255 5.853 ( 4.963 -2.120 -6.425) 8.391 5.853 ( 4.963 -2.120 6.426) 8.391 6.156 ( 2.648 -5.715 -3.157) 7.046 6.156 ( 2.648 -5.715 3.157) 7.046 6.371 ( -0.700 1.000 -2.238) 2.549 6.371 ( -0.700 1.000 2.238) 2.549 6.496 ( -5.154 -1.576 -2.442) 5.917 6.496 ( -5.154 -1.576 2.442) 5.917 7.171 ( 8.968 1.316 -6.065) 10.906 7.171 ( 8.968 1.316 6.065) 10.906 7.278 ( 6.073 -2.328 -5.983) 8.837 7.278 ( 6.073 -2.328 5.983) 8.837 14.213 ( 11.750 4.133 -8.538) 15.101 14.213 ( 11.750 4.133 8.538) 15.101 14.548 ( 10.737 -3.799 -13.022) 17.300 14.548 ( 10.737 -3.799 13.022) 17.300 16.781 ( -8.748 2.335 -0.545) 9.071 16.781 ( -8.748 2.335 0.545) 9.071 17.007 ( -4.827 -3.057 -2.697) 6.318 17.007 ( -4.827 -3.057 2.697) 6.318 18.496 ( 3.319 0.357 -5.166) 6.151 18.496 ( 3.319 0.357 5.166) 6.151 18.534 ( 4.046 -0.505 -4.833) 6.323 18.534 ( 4.046 -0.505 4.833) 6.323 31.713 ( -1.333 3.174 -0.925) 3.564 31.713 ( -1.333 3.174 0.925) 3.564 31.937 ( -6.273 -2.182 -2.862) 7.232 31.937 ( -6.273 -2.182 2.862) 7.232 36.902 ( -0.046 -0.008 -0.860) 0.861 36.902 ( -0.046 -0.008 0.860) 0.861 36.930 ( -0.422 -0.591 -0.970) 1.212 36.930 ( -0.422 -0.591 0.970) 1.212 64.463 ( -3.706 5.085 -3.422) 7.163 64.463 ( -3.706 5.085 3.422) 7.163 64.843 ( -10.969 -3.970 -10.930) 15.986 64.843 ( -10.969 -3.970 10.930) 15.986 100.345 ( 2.129 0.597 -0.142) 2.216 100.345 ( 2.129 0.597 0.142) 2.216 100.398 ( 1.872 -0.674 -0.663) 2.097 100.398 ( 1.872 -0.674 0.663) 2.097 ======================= Grid point 342 (111/120) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -6.907 15.508 -5.652) 17.893 2.293 ( -6.907 15.508 5.652) 17.892 2.871 ( -1.036 -1.633 -4.611) 5.000 2.871 ( -1.036 -1.633 4.611) 5.000 3.468 ( 10.140 -0.205 -5.660) 11.614 3.468 ( 10.140 -0.205 5.660) 11.614 3.627 ( 4.185 0.184 -7.998) 9.029 3.627 ( 4.185 0.184 7.998) 9.029 4.211 ( 1.650 0.829 -6.176) 6.446 4.211 ( 1.650 0.829 6.177) 6.447 4.380 ( 2.868 -0.645 -4.073) 5.023 4.380 ( 2.868 -0.645 4.073) 5.023 4.663 ( -0.525 8.882 -9.748) 13.198 4.663 ( -0.525 8.882 9.748) 13.198 4.981 ( 5.033 2.786 -1.570) 5.963 4.981 ( 5.033 2.786 1.570) 5.963 5.490 ( -5.974 0.079 -3.140) 6.750 5.490 ( -5.974 0.079 3.140) 6.750 5.688 ( 3.277 -0.767 -3.955) 5.193 5.688 ( 3.277 -0.767 3.955) 5.193 5.976 ( 6.366 -4.150 -4.082) 8.626 5.976 ( 6.366 -4.150 4.082) 8.626 6.185 ( 0.016 -7.046 -4.133) 8.168 6.185 ( 0.016 -7.046 4.133) 8.169 6.360 ( -0.006 2.418 -4.058) 4.724 6.360 ( -0.006 2.418 4.058) 4.724 6.429 ( -1.985 -0.047 -3.155) 3.728 6.429 ( -1.985 -0.047 3.155) 3.728 7.328 ( 6.786 -0.818 -3.626) 7.737 7.328 ( 6.786 -0.818 3.626) 7.737 7.389 ( 4.803 -2.555 -4.587) 7.116 7.389 ( 4.803 -2.555 4.587) 7.116 14.404 ( 7.734 4.222 -8.888) 12.515 14.404 ( 7.734 4.222 8.888) 12.515 14.731 ( 7.647 -3.517 -13.869) 16.223 14.731 ( 7.647 -3.517 13.869) 16.223 16.636 ( -6.011 3.174 -0.732) 6.837 16.636 ( -6.011 3.174 0.732) 6.837 16.929 ( -3.128 -3.792 -2.792) 5.653 16.929 ( -3.128 -3.792 2.792) 5.653 18.554 ( 2.490 0.528 -5.827) 6.359 18.554 ( 2.490 0.528 5.827) 6.359 18.604 ( 3.020 -0.646 -5.411) 6.230 18.604 ( 3.020 -0.646 5.411) 6.230 31.692 ( -0.820 1.984 -1.004) 2.370 31.692 ( -0.820 1.984 1.004) 2.370 31.835 ( -4.067 -1.435 -3.181) 5.359 31.835 ( -4.067 -1.435 3.181) 5.359 36.903 ( 0.069 0.028 -1.060) 1.063 36.903 ( 0.069 0.028 1.060) 1.063 36.923 ( -0.265 -0.419 -1.214) 1.311 36.923 ( -0.265 -0.419 1.214) 1.311 64.414 ( -1.298 3.127 -1.612) 3.750 64.414 ( -1.298 3.127 1.612) 3.750 64.653 ( -8.394 -2.560 -7.711) 11.682 64.653 ( -8.394 -2.560 7.711) 11.682 100.379 ( 1.372 0.549 -0.406) 1.532 100.379 ( 1.372 0.549 0.406) 1.532 100.427 ( 1.114 -0.594 -0.143) 1.270 100.427 ( 1.114 -0.594 0.143) 1.270 ======================= Grid point 344 (112/120) ======================= q-point: ( 0.47 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -2.999 16.882 -6.390) 18.298 2.191 ( -2.999 16.882 6.390) 18.298 2.854 ( -0.522 -2.908 -4.318) 5.232 2.854 ( -0.522 -2.908 4.318) 5.232 3.626 ( 4.735 -1.256 -6.815) 8.393 3.626 ( 4.735 -1.256 6.815) 8.393 3.692 ( 2.531 -0.332 -4.520) 5.191 3.692 ( 2.531 -0.332 4.520) 5.191 4.179 ( -2.906 6.753 -9.055) 11.664 4.179 ( -2.906 6.753 9.055) 11.664 4.418 ( 1.156 0.080 -1.609) 1.983 4.418 ( 1.156 0.080 1.609) 1.983 4.690 ( 1.758 3.857 -12.768) 13.453 4.690 ( 1.758 3.857 12.768) 13.453 5.041 ( 1.353 0.923 -1.061) 1.951 5.041 ( 1.353 0.923 1.061) 1.951 5.381 ( -3.589 3.210 -1.836) 5.153 5.381 ( -3.589 3.210 1.836) 5.153 5.743 ( 1.631 -1.834 -6.058) 6.536 5.743 ( 1.631 -1.834 6.058) 6.536 6.079 ( 3.849 -4.255 -5.693) 8.083 6.079 ( 3.849 -4.255 5.693) 8.083 6.163 ( -1.774 -5.296 -6.139) 8.299 6.163 ( -1.774 -5.296 6.139) 8.300 6.367 ( 0.370 2.410 -6.530) 6.971 6.367 ( 0.370 2.410 6.531) 6.971 6.407 ( -0.497 -0.348 -6.685) 6.713 6.407 ( -0.497 -0.347 6.685) 6.713 7.425 ( 3.005 -2.199 -1.659) 4.076 7.425 ( 3.005 -2.199 1.659) 4.076 7.450 ( 1.245 -2.343 -2.126) 3.399 7.450 ( 1.245 -2.342 2.126) 3.400 14.506 ( 2.672 4.296 -9.075) 10.390 14.506 ( 2.672 4.296 9.075) 10.390 14.833 ( 2.724 -3.472 -14.197) 14.867 14.833 ( 2.724 -3.472 14.198) 14.867 16.555 ( -2.133 3.681 -0.831) 4.335 16.555 ( -2.133 3.681 0.831) 4.335 16.888 ( -1.069 -4.201 -2.793) 5.157 16.888 ( -1.069 -4.201 2.793) 5.157 18.588 ( 0.931 0.622 -6.187) 6.287 18.588 ( 0.931 0.622 6.187) 6.287 18.645 ( 1.127 -0.728 -5.727) 5.882 18.645 ( 1.127 -0.728 5.727) 5.882 31.682 ( -0.267 1.374 -1.106) 1.784 31.682 ( -0.267 1.374 1.106) 1.784 31.782 ( -1.413 -1.012 -3.421) 3.837 31.782 ( -1.413 -1.012 3.421) 3.837 36.904 ( 0.044 0.042 -1.272) 1.274 36.904 ( 0.044 0.042 1.272) 1.274 36.919 ( -0.092 -0.323 -1.403) 1.443 36.919 ( -0.092 -0.323 1.403) 1.443 64.412 ( 0.799 1.527 -2.575) 3.098 64.412 ( 0.799 1.527 2.575) 3.098 64.526 ( -4.180 -1.191 -4.597) 6.327 64.526 ( -4.180 -1.191 4.597) 6.327 100.397 ( 0.473 0.513 -0.651) 0.954 100.397 ( 0.473 0.513 0.651) 0.954 100.442 ( 0.368 -0.542 -0.315) 0.727 100.442 ( 0.368 -0.542 0.315) 0.727 ======================= Grid point 360 (113/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 10.255 -18.789) 21.406 2.199 ( 0.000 10.255 18.789) 21.406 2.376 ( 0.000 -2.111 -2.351) 3.160 2.376 ( 0.000 -2.111 2.351) 3.160 2.574 ( 0.000 5.510 -3.512) 6.535 2.574 ( 0.000 5.510 3.512) 6.535 2.793 ( 0.000 -12.943 -8.112) 15.275 2.793 ( 0.000 -12.943 8.112) 15.275 3.757 ( 0.000 12.599 -19.835) 23.498 3.757 ( 0.000 12.599 19.835) 23.498 3.904 ( 0.000 0.586 -10.144) 10.161 3.904 ( 0.000 0.586 10.144) 10.161 4.248 ( 0.000 9.145 -10.487) 13.915 4.248 ( 0.000 9.145 10.487) 13.915 4.544 ( 0.000 -22.354 -15.968) 27.471 4.544 ( 0.000 -22.354 15.968) 27.471 5.154 ( 0.000 7.737 -3.196) 8.371 5.154 ( 0.000 7.737 3.196) 8.371 5.216 ( 0.000 7.129 -7.919) 10.656 5.216 ( 0.000 7.129 7.919) 10.656 5.539 ( 0.000 -4.304 -7.911) 9.006 5.539 ( 0.000 -4.304 7.911) 9.006 5.638 ( 0.000 -9.577 -5.751) 11.171 5.638 ( 0.000 -9.577 5.751) 11.171 6.444 ( 0.000 4.754 -5.056) 6.940 6.444 ( 0.000 4.754 5.056) 6.940 6.458 ( 0.000 4.570 -9.167) 10.243 6.458 ( 0.000 4.570 9.167) 10.243 7.197 ( 0.000 9.685 -6.223) 11.512 7.197 ( 0.000 9.685 6.223) 11.512 7.426 ( 0.000 -12.867 -2.695) 13.146 7.426 ( 0.000 -12.867 2.695) 13.146 13.445 ( 0.000 12.066 -6.156) 13.545 13.445 ( 0.000 12.066 6.156) 13.545 13.750 ( 0.000 -19.126 -2.024) 19.233 13.750 ( 0.000 -19.126 2.024) 19.233 17.428 ( 0.000 1.621 -1.130) 1.976 17.428 ( 0.000 1.621 1.130) 1.976 17.452 ( 0.000 -0.834 -1.536) 1.748 17.452 ( 0.000 -0.834 1.536) 1.748 18.264 ( 0.000 0.706 -0.454) 0.839 18.264 ( 0.000 0.706 0.454) 0.839 18.280 ( 0.000 -0.945 -0.541) 1.089 18.280 ( 0.000 -0.945 0.541) 1.089 32.127 ( 0.000 14.237 -5.979) 15.442 32.127 ( 0.000 14.237 5.979) 15.442 32.367 ( 0.000 -10.184 -5.593) 11.619 32.367 ( 0.000 -10.184 5.593) 11.619 36.942 ( 0.000 -0.272 -1.755) 1.776 36.942 ( 0.000 -0.272 1.755) 1.776 36.945 ( 0.000 -0.705 -1.334) 1.509 36.945 ( 0.000 -0.705 1.334) 1.509 65.220 ( 0.000 18.165 -17.607) 25.297 65.220 ( 0.000 18.165 17.607) 25.297 65.527 ( 0.000 -13.021 -21.081) 24.778 65.527 ( 0.000 -13.021 21.081) 24.778 100.149 ( 0.000 0.331 -0.163) 0.369 100.149 ( 0.000 0.331 0.163) 0.369 100.155 ( 0.000 -0.267 -0.159) 0.311 100.155 ( 0.000 -0.267 0.159) 0.311 ======================= Grid point 362 (114/120) ======================= q-point: ( 0.07 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 7.277 10.544 -16.954) 21.251 2.275 ( 7.277 10.544 16.954) 21.251 2.453 ( 7.530 -1.793 -1.860) 7.961 2.453 ( 7.530 -1.793 1.860) 7.961 2.626 ( 5.091 4.681 -4.201) 8.092 2.626 ( 5.091 4.681 4.201) 8.092 2.838 ( 4.481 -12.689 -7.413) 15.363 2.838 ( 4.481 -12.689 7.413) 15.363 3.777 ( 2.131 11.952 -17.596) 21.378 3.777 ( 2.131 11.952 17.596) 21.378 3.921 ( 1.655 0.021 -9.758) 9.898 3.921 ( 1.655 0.021 9.759) 9.898 4.277 ( 3.122 10.213 -11.145) 15.436 4.277 ( 3.122 10.213 11.145) 15.436 4.588 ( 4.302 -22.419 -15.513) 27.600 4.588 ( 4.302 -22.419 15.513) 27.600 5.121 ( -1.637 10.265 -2.088) 10.602 5.121 ( -1.637 10.265 2.088) 10.602 5.256 ( 2.519 1.228 -5.329) 6.021 5.256 ( 2.519 1.228 5.329) 6.021 5.580 ( 4.717 -0.281 -5.156) 6.993 5.580 ( 4.717 -0.281 5.156) 6.993 5.718 ( 7.018 -9.675 -3.920) 12.579 5.718 ( 7.018 -9.675 3.920) 12.579 6.428 ( -1.340 6.138 -3.220) 7.060 6.428 ( -1.340 6.138 3.220) 7.060 6.466 ( 0.707 2.472 -3.948) 4.711 6.466 ( 0.707 2.472 3.948) 4.711 7.173 ( -2.303 8.634 -6.379) 10.979 7.173 ( -2.303 8.634 6.379) 10.979 7.379 ( -4.697 -11.612 -3.052) 12.893 7.379 ( -4.697 -11.612 3.052) 12.893 13.487 ( 4.365 11.319 -6.604) 13.813 13.487 ( 4.365 11.319 6.604) 13.813 13.767 ( 2.031 -17.270 -3.359) 17.711 13.767 ( 2.031 -17.270 3.359) 17.711 17.396 ( -3.281 1.531 -0.959) 3.745 17.396 ( -3.281 1.531 0.959) 3.745 17.420 ( -3.275 -0.939 -1.115) 3.584 17.420 ( -3.275 -0.939 1.115) 3.584 18.276 ( 1.252 0.624 -0.289) 1.428 18.276 ( 1.252 0.624 0.289) 1.428 18.291 ( 1.088 -0.855 -0.356) 1.429 18.291 ( 1.088 -0.855 0.356) 1.429 32.101 ( -2.602 13.620 -5.391) 14.877 32.101 ( -2.602 13.620 5.391) 14.877 32.332 ( -3.461 -9.915 -5.168) 11.705 32.332 ( -3.461 -9.915 5.168) 11.705 36.936 ( -0.491 -0.097 -1.498) 1.580 36.936 ( -0.491 -0.097 1.498) 1.580 36.944 ( -0.226 -0.856 -1.219) 1.507 36.944 ( -0.226 -0.856 1.219) 1.507 65.175 ( -4.507 17.574 -16.645) 24.621 65.175 ( -4.507 17.574 16.645) 24.621 65.475 ( -5.192 -12.904 -20.239) 24.558 65.475 ( -5.192 -12.904 20.239) 24.558 100.165 ( 1.558 0.472 -0.241) 1.646 100.165 ( 1.558 0.472 0.241) 1.646 100.174 ( 1.858 -0.457 -0.354) 1.946 100.174 ( 1.858 -0.457 0.354) 1.946 ======================= Grid point 364 (115/120) ======================= q-point: ( 0.13 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 9.876 11.431 -13.730) 20.414 2.450 ( 9.876 11.431 13.730) 20.414 2.642 ( 11.143 -2.246 -2.424) 11.622 2.642 ( 11.143 -2.246 2.424) 11.622 2.753 ( 7.293 3.808 -4.990) 9.623 2.753 ( 7.293 3.808 4.990) 9.623 2.956 ( 7.283 -11.964 -6.190) 15.314 2.956 ( 7.283 -11.964 6.190) 15.314 3.840 ( 4.219 10.227 -12.158) 16.438 3.840 ( 4.219 10.227 12.158) 16.438 3.966 ( 3.028 -0.698 -9.147) 9.661 3.966 ( 3.028 -0.698 9.147) 9.661 4.377 ( 7.269 11.809 -12.124) 18.420 4.377 ( 7.269 11.809 12.124) 18.420 4.700 ( 6.869 -21.457 -14.526) 26.806 4.700 ( 6.869 -21.457 14.526) 26.806 5.116 ( 1.247 11.987 -2.176) 12.247 5.116 ( 1.247 11.987 2.176) 12.247 5.306 ( 2.980 -4.627 -3.857) 6.721 5.306 ( 2.980 -4.627 3.857) 6.721 5.707 ( 7.491 4.184 -2.292) 8.881 5.707 ( 7.491 4.184 2.292) 8.881 5.868 ( 7.567 -9.251 -2.797) 12.275 5.868 ( 7.567 -9.251 2.797) 12.275 6.400 ( -1.292 7.515 -2.688) 8.085 6.400 ( -1.292 7.515 2.688) 8.085 6.487 ( 1.547 -1.379 -2.260) 3.066 6.487 ( 1.547 -1.379 2.260) 3.066 7.116 ( -3.209 6.135 -6.504) 9.499 7.116 ( -3.209 6.135 6.504) 9.499 7.260 ( -6.928 -8.112 -3.942) 11.373 7.260 ( -6.928 -8.112 3.942) 11.373 13.615 ( 8.719 9.633 -7.627) 15.067 13.615 ( 8.719 9.633 7.627) 15.067 13.840 ( 5.767 -13.244 -6.248) 15.739 13.840 ( 5.767 -13.244 6.248) 15.739 17.305 ( -5.970 1.266 -0.802) 6.155 17.305 ( -5.970 1.266 0.802) 6.155 17.328 ( -5.936 -1.102 -0.376) 6.049 17.328 ( -5.936 -1.102 0.376) 6.049 18.312 ( 2.400 0.422 -0.266) 2.451 18.312 ( 2.400 0.422 0.266) 2.451 18.323 ( 2.161 -0.627 -0.266) 2.266 18.323 ( 2.161 -0.627 0.266) 2.266 32.033 ( -4.171 11.894 -4.070) 13.245 32.033 ( -4.171 11.894 4.070) 13.245 32.240 ( -5.837 -9.047 -4.168) 11.545 32.240 ( -5.837 -9.047 4.168) 11.545 36.925 ( -0.606 0.159 -1.147) 1.307 36.925 ( -0.606 0.159 1.147) 1.307 36.937 ( -0.424 -1.029 -0.919) 1.443 36.937 ( -0.424 -1.029 0.919) 1.443 65.055 ( -7.510 15.888 -14.337) 22.680 65.055 ( -7.510 15.888 14.337) 22.680 65.335 ( -8.991 -12.360 -18.047) 23.650 65.335 ( -8.991 -12.360 18.047) 23.650 100.206 ( 2.579 0.757 -0.471) 2.729 100.206 ( 2.579 0.757 0.471) 2.729 100.222 ( 2.897 -0.820 -0.783) 3.111 100.222 ( 2.897 -0.820 0.783) 3.111 ======================= Grid point 366 (116/120) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 7.256 11.781 -11.650) 18.088 2.625 ( 7.256 11.781 11.650) 18.088 2.841 ( 7.037 -9.910 -9.171) 15.226 2.841 ( 7.037 -9.910 9.171) 15.226 2.899 ( 9.085 11.047 -7.335) 16.074 2.899 ( 9.085 11.047 7.335) 16.074 3.112 ( 8.673 -10.779 -5.938) 15.056 3.112 ( 8.673 -10.779 5.938) 15.056 3.933 ( 5.256 8.321 -6.654) 11.880 3.933 ( 5.256 8.321 6.654) 11.880 4.041 ( 4.750 -1.331 -7.835) 9.258 4.041 ( 4.750 -1.331 7.835) 9.258 4.553 ( 10.532 11.495 -11.601) 19.433 4.553 ( 10.532 11.495 11.601) 19.433 4.834 ( 6.319 -15.781 -11.963) 20.786 4.834 ( 6.319 -15.781 11.963) 20.786 5.175 ( 4.986 10.749 -2.722) 12.158 5.175 ( 4.987 10.749 2.722) 12.158 5.379 ( 4.582 -7.274 -3.808) 9.403 5.379 ( 4.582 -7.274 3.808) 9.403 5.836 ( 5.054 4.833 -0.904) 7.051 5.836 ( 5.054 4.833 0.904) 7.051 5.978 ( 3.112 -7.969 -1.386) 8.667 5.978 ( 3.112 -7.969 1.386) 8.667 6.391 ( 0.577 7.251 -0.688) 7.306 6.391 ( 0.577 7.251 0.688) 7.306 6.519 ( 1.149 -5.582 -2.408) 6.187 6.519 ( 1.149 -5.582 2.408) 6.187 7.066 ( -1.457 4.183 -8.207) 9.325 7.066 ( -1.457 4.183 8.207) 9.325 7.146 ( -3.697 -3.982 -6.257) 8.287 7.146 ( -3.697 -3.982 6.257) 8.287 13.820 ( 12.149 8.004 -8.663) 16.932 13.820 ( 12.149 8.004 8.663) 16.932 13.994 ( 9.963 -9.576 -8.907) 16.441 13.994 ( 9.963 -9.576 8.907) 16.441 17.168 ( -8.017 1.485 -0.144) 8.155 17.168 ( -8.017 1.485 0.144) 8.155 17.199 ( -7.119 -1.703 -0.786) 7.362 17.199 ( -7.119 -1.703 0.786) 7.362 18.368 ( 3.242 0.260 -1.938) 3.786 18.368 ( 3.242 0.260 1.938) 3.786 18.375 ( 3.187 -0.422 -1.905) 3.737 18.375 ( 3.187 -0.422 1.905) 3.737 31.947 ( -4.542 9.459 -2.787) 10.857 31.947 ( -4.542 9.459 2.787) 10.857 32.116 ( -6.718 -7.579 -3.152) 10.607 32.116 ( -6.718 -7.579 3.152) 10.607 36.914 ( -0.471 0.336 -0.874) 1.048 36.914 ( -0.471 0.336 0.874) 1.048 36.928 ( -0.434 -1.059 -0.761) 1.374 36.928 ( -0.434 -1.059 0.761) 1.374 64.896 ( -8.601 13.410 -11.616) 19.716 64.896 ( -8.601 13.410 11.616) 19.716 65.139 ( -10.776 -11.130 -15.174) 21.685 65.139 ( -10.776 -11.130 15.174) 21.685 100.260 ( 2.890 0.979 -0.585) 3.107 100.260 ( 2.890 0.979 0.585) 3.107 100.281 ( 3.043 -1.070 -0.979) 3.371 100.281 ( 3.043 -1.070 0.979) 3.371 ======================= Grid point 368 (117/120) ======================= q-point: ( 0.27 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 1.420 11.248 -6.822) 13.232 2.711 ( 1.420 11.248 6.822) 13.232 2.894 ( -0.350 -6.456 -6.077) 8.873 2.894 ( -0.350 -6.456 6.077) 8.873 3.108 ( 11.247 8.270 -7.873) 16.027 3.108 ( 11.247 8.270 7.873) 16.027 3.287 ( 9.082 -8.780 -6.030) 13.998 3.287 ( 9.082 -8.780 6.030) 13.998 4.042 ( 5.965 6.717 -2.836) 9.420 4.042 ( 5.965 6.717 2.836) 9.420 4.146 ( 5.826 -2.751 -5.161) 8.255 4.146 ( 5.826 -2.751 5.161) 8.255 4.759 ( 9.851 8.830 -7.732) 15.323 4.759 ( 9.851 8.830 7.732) 15.323 4.922 ( 2.498 -3.819 -6.568) 7.998 4.922 ( 2.498 -3.819 6.568) 7.998 5.305 ( 8.000 5.386 -1.859) 9.822 5.305 ( 8.000 5.386 1.859) 9.822 5.484 ( 6.052 -8.629 -3.307) 11.046 5.484 ( 6.052 -8.629 3.307) 11.046 5.889 ( 0.324 3.868 -2.567) 4.654 5.889 ( 0.324 3.868 2.567) 4.654 5.997 ( -0.198 -6.961 -3.001) 7.583 5.997 ( -0.198 -6.961 3.001) 7.583 6.410 ( 0.773 4.551 -0.572) 4.651 6.410 ( 0.773 4.551 0.572) 4.651 6.509 ( -2.139 -5.417 -2.647) 6.398 6.509 ( -2.139 -5.417 2.647) 6.398 7.087 ( 3.944 3.260 -9.630) 10.905 7.087 ( 3.944 3.260 9.630) 10.905 7.140 ( 2.849 -2.427 -7.982) 8.816 7.140 ( 2.849 -2.427 7.982) 8.816 14.072 ( 13.339 6.964 -9.516) 17.803 14.072 ( 13.339 6.964 9.516) 17.803 14.214 ( 12.194 -7.330 -10.729) 17.819 14.214 ( 12.194 -7.330 10.729) 17.819 17.004 ( -8.600 2.609 -0.686) 9.013 17.004 ( -8.600 2.609 0.686) 9.013 17.059 ( -7.109 -3.025 -1.551) 7.880 17.059 ( -7.109 -3.025 1.551) 7.880 18.435 ( 3.657 0.396 -4.134) 5.534 18.435 ( 3.657 0.396 4.134) 5.534 18.444 ( 3.897 -0.516 -4.052) 5.645 18.444 ( 3.897 -0.516 4.052) 5.645 31.862 ( -4.082 6.864 -1.996) 8.232 31.862 ( -4.082 6.864 1.996) 8.232 31.987 ( -6.309 -5.757 -2.559) 8.916 31.987 ( -6.309 -5.757 2.559) 8.916 36.907 ( -0.235 0.396 -0.931) 1.039 36.907 ( -0.235 0.396 0.931) 1.039 36.921 ( -0.328 -0.937 -0.970) 1.388 36.921 ( -0.328 -0.937 0.970) 1.388 64.732 ( -8.075 10.548 -8.914) 15.998 64.732 ( -8.075 10.548 8.914) 15.998 64.929 ( -10.664 -9.243 -12.102) 18.591 64.929 ( -10.664 -9.243 12.102) 18.591 100.315 ( 2.648 1.049 -0.487) 2.890 100.315 ( 2.648 1.049 0.487) 2.890 100.336 ( 2.635 -1.124 -0.833) 2.983 100.336 ( 2.635 -1.124 0.833) 2.983 ======================= Grid point 370 (118/120) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -3.575 11.783 -2.353) 12.536 2.685 ( -3.575 11.783 2.353) 12.536 2.856 ( -2.973 -5.509 -1.425) 6.420 2.856 ( -2.973 -5.509 1.425) 6.420 3.320 ( 10.425 6.358 -6.775) 13.964 3.320 ( 10.425 6.358 6.775) 13.964 3.455 ( 8.043 -6.261 -6.706) 12.201 3.455 ( 8.043 -6.261 6.706) 12.201 4.162 ( 6.152 5.062 -2.555) 8.367 4.162 ( 6.152 5.062 2.555) 8.367 4.257 ( 5.329 -3.663 -3.594) 7.398 4.257 ( 5.329 -3.663 3.594) 7.398 4.887 ( 1.325 6.943 -4.513) 8.386 4.887 ( 1.325 6.943 4.513) 8.386 4.954 ( 2.634 2.602 -5.591) 6.706 4.954 ( 2.634 2.602 5.591) 6.706 5.458 ( 6.858 2.478 -1.117) 7.378 5.458 ( 6.859 2.478 1.117) 7.378 5.593 ( 4.212 -8.113 -1.576) 9.276 5.593 ( 4.212 -8.113 1.576) 9.276 5.874 ( -0.130 4.164 -6.103) 7.389 5.874 ( -0.130 4.164 6.103) 7.389 6.000 ( 0.710 -8.577 -5.810) 10.384 6.000 ( 0.710 -8.577 5.810) 10.384 6.411 ( -0.452 2.638 -2.063) 3.379 6.411 ( -0.452 2.638 2.063) 3.379 6.460 ( -2.354 -2.241 -2.262) 3.960 6.460 ( -2.354 -2.241 2.262) 3.960 7.198 ( 6.626 1.448 -7.479) 10.096 7.198 ( 6.626 1.448 7.479) 10.096 7.232 ( 5.833 -2.170 -6.887) 9.283 7.232 ( 5.834 -2.170 6.887) 9.283 14.319 ( 11.708 6.530 -10.233) 16.865 14.319 ( 11.708 6.530 10.233) 16.865 14.447 ( 11.318 -6.325 -11.912) 17.607 14.447 ( 11.318 -6.325 11.912) 17.607 16.845 ( -7.515 4.093 -0.991) 8.615 16.845 ( -7.515 4.093 0.991) 8.615 16.930 ( -6.008 -4.536 -1.897) 7.763 16.930 ( -6.008 -4.536 1.897) 7.763 18.506 ( 3.566 0.675 -5.094) 6.255 18.506 ( 3.566 0.675 5.094) 6.255 18.521 ( 3.835 -0.765 -4.968) 6.323 18.521 ( 3.835 -0.765 4.968) 6.323 31.791 ( -3.151 4.582 -1.782) 5.839 31.791 ( -3.151 4.582 1.782) 5.839 31.876 ( -5.017 -3.972 -2.482) 6.864 31.876 ( -5.017 -3.972 2.482) 6.864 36.905 ( -0.040 0.357 -1.274) 1.324 36.905 ( -0.040 0.357 1.274) 1.324 36.916 ( -0.196 -0.727 -1.358) 1.553 36.916 ( -0.196 -0.727 1.358) 1.553 64.591 ( -6.310 7.607 -6.268) 11.704 64.591 ( -6.310 7.607 6.268) 11.704 64.735 ( -9.061 -6.921 -9.022) 14.540 64.735 ( -9.061 -6.921 9.022) 14.540 100.361 ( 2.068 1.001 -0.246) 2.310 100.361 ( 2.068 1.001 0.246) 2.310 100.381 ( 1.971 -1.048 -0.454) 2.278 100.381 ( 1.971 -1.048 0.454) 2.278 ======================= Grid point 372 (119/120) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -4.730 13.872 -6.952) 16.221 2.598 ( -4.730 13.872 6.952) 16.221 2.796 ( -2.901 -6.763 -5.859) 9.406 2.796 ( -2.901 -6.763 5.859) 9.406 3.505 ( 8.351 3.991 -6.295) 11.194 3.505 ( 8.351 3.991 6.295) 11.194 3.590 ( 5.665 -3.851 -7.395) 10.080 3.590 ( 5.665 -3.851 7.395) 10.080 4.268 ( 4.337 4.421 -5.628) 8.368 4.268 ( 4.337 4.421 5.628) 8.368 4.346 ( 3.768 -3.097 -4.281) 6.490 4.346 ( 3.768 -3.097 4.281) 6.490 4.854 ( -2.762 9.978 -5.690) 11.814 4.854 ( -2.762 9.978 5.690) 11.814 4.997 ( 0.575 -3.237 -3.568) 4.852 4.997 ( 0.575 -3.237 3.568) 4.852 5.530 ( 0.190 4.997 -0.867) 5.075 5.530 ( 0.190 4.997 0.867) 5.075 5.644 ( 2.210 -4.658 -3.012) 5.971 5.644 ( 2.210 -4.658 3.012) 5.971 5.925 ( 4.607 0.685 -5.411) 7.140 5.925 ( 4.607 0.685 5.411) 7.140 6.022 ( 1.398 -8.338 -4.364) 9.515 6.022 ( 1.398 -8.339 4.364) 9.515 6.402 ( -0.322 1.806 -4.311) 4.685 6.402 ( -0.322 1.806 4.311) 4.685 6.426 ( -1.231 -0.601 -3.929) 4.160 6.426 ( -1.231 -0.601 3.929) 4.161 7.317 ( 5.236 0.111 -4.834) 7.127 7.317 ( 5.236 0.111 4.834) 7.127 7.340 ( 4.775 -2.145 -5.045) 7.270 7.340 ( 4.775 -2.145 5.045) 7.270 14.512 ( 7.810 6.469 -10.745) 14.774 14.512 ( 7.810 6.469 10.745) 14.774 14.636 ( 7.768 -6.033 -12.610) 15.992 14.636 ( 7.768 -6.033 12.610) 15.992 16.721 ( -5.068 5.424 -1.109) 7.506 16.721 ( -5.068 5.424 1.109) 7.506 16.832 ( -3.959 -5.807 -2.025) 7.314 16.832 ( -3.959 -5.807 2.025) 7.314 18.568 ( 2.664 0.919 -5.733) 6.388 18.568 ( 2.664 0.919 5.733) 6.388 18.587 ( 2.863 -0.992 -5.577) 6.347 18.587 ( 2.863 -0.992 5.577) 6.347 31.741 ( -1.965 2.915 -1.904) 3.998 31.741 ( -1.965 2.915 1.904) 3.998 31.796 ( -3.198 -2.576 -2.680) 4.904 31.796 ( -3.198 -2.576 2.680) 4.904 36.905 ( 0.047 0.276 -1.698) 1.721 36.905 ( 0.047 0.276 1.698) 1.721 36.913 ( -0.093 -0.517 -1.772) 1.848 36.913 ( -0.093 -0.517 1.772) 1.848 64.493 ( -3.665 4.758 -3.721) 7.065 64.493 ( -3.665 4.758 3.721) 7.065 64.584 ( -6.367 -4.408 -5.996) 9.794 64.584 ( -6.367 -4.408 5.996) 9.794 100.394 ( 1.303 0.910 -0.313) 1.619 100.394 ( 1.303 0.910 0.313) 1.619 100.412 ( 1.205 -0.937 -0.197) 1.539 100.412 ( 1.205 -0.937 0.197) 1.539 ======================= Grid point 374 (120/120) ======================= q-point: ( 0.47 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.060 15.614 -8.412) 17.856 2.527 ( -2.060 15.614 8.412) 17.856 2.754 ( -1.195 -8.039 -7.304) 10.927 2.754 ( -1.195 -8.039 7.304) 10.927 3.627 ( 3.701 1.365 -6.857) 7.911 3.627 ( 3.701 1.365 6.857) 7.911 3.666 ( 1.901 -2.108 -6.178) 6.799 3.666 ( 1.901 -2.108 6.179) 6.799 4.319 ( 1.045 6.349 -9.988) 11.881 4.319 ( 1.045 6.349 9.989) 11.881 4.400 ( 1.619 -2.275 -6.940) 7.481 4.400 ( 1.619 -2.275 6.940) 7.481 4.814 ( -1.062 8.876 -8.275) 12.181 4.814 ( -1.062 8.876 8.275) 12.181 4.986 ( -0.905 -7.117 -3.727) 8.085 4.986 ( -0.905 -7.117 3.727) 8.085 5.514 ( -0.777 9.685 -2.414) 10.011 5.514 ( -0.777 9.685 2.414) 10.011 5.677 ( 0.889 -5.761 -6.199) 8.509 5.677 ( 0.889 -5.761 6.199) 8.509 6.006 ( 2.894 -2.009 -5.335) 6.393 6.006 ( 2.894 -2.009 5.334) 6.392 6.042 ( 0.305 -5.595 -6.131) 8.305 6.042 ( 0.305 -5.595 6.131) 8.306 6.401 ( 0.144 1.020 -5.840) 5.931 6.401 ( 0.144 1.020 5.840) 5.930 6.409 ( -0.592 0.139 -5.688) 5.720 6.409 ( -0.592 0.139 5.688) 5.721 7.390 ( 2.025 -0.769 -1.972) 2.929 7.390 ( 2.025 -0.769 1.972) 2.929 7.404 ( 1.670 -1.976 -2.558) 3.638 7.404 ( 1.670 -1.976 2.558) 3.638 14.615 ( 2.712 6.510 -10.995) 13.063 14.615 ( 2.712 6.510 10.995) 13.063 14.739 ( 2.729 -6.001 -12.913) 14.498 14.739 ( 2.729 -6.001 12.913) 14.498 16.653 ( -1.779 6.211 -1.138) 6.560 16.653 ( -1.779 6.211 1.138) 6.560 16.780 ( -1.370 -6.534 -2.047) 6.983 16.780 ( -1.370 -6.534 2.047) 6.983 18.605 ( 0.994 1.060 -6.083) 6.254 18.605 ( 0.994 1.060 6.083) 6.254 18.627 ( 1.068 -1.125 -5.911) 6.111 18.627 ( 1.068 -1.125 5.911) 6.111 31.716 ( -0.662 2.032 -2.064) 2.971 31.716 ( -0.662 2.032 2.064) 2.971 31.754 ( -1.099 -1.808 -2.880) 3.574 31.754 ( -1.099 -1.808 2.880) 3.574 36.906 ( 0.031 0.211 -2.071) 2.082 36.906 ( 0.031 0.211 2.071) 2.082 36.912 ( -0.027 -0.385 -2.128) 2.163 36.912 ( -0.027 -0.385 2.128) 2.163 64.450 ( -0.791 2.299 -2.233) 3.301 64.450 ( -0.791 2.299 2.233) 3.301 64.494 ( -2.690 -2.092 -3.254) 4.712 64.494 ( -2.690 -2.092 3.254) 4.712 100.411 ( 0.444 0.844 -0.566) 1.109 100.411 ( 0.444 0.844 0.566) 1.109 100.428 ( 0.404 -0.862 -0.441) 1.049 100.428 ( 0.404 -0.862 0.441) 1.049 =================== 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 3/36000 10.0 80.302 74.542 90.759 0.000 0.000 -0.000 3/36000 20.0 14.784 17.891 15.607 0.000 0.000 -0.000 3/36000 30.0 6.834 8.660 7.173 0.000 0.000 -0.000 3/36000 40.0 4.173 5.383 4.439 0.000 0.000 -0.000 3/36000 50.0 2.943 3.873 3.171 0.000 0.000 -0.000 3/36000 60.0 2.272 3.046 2.471 0.000 0.000 -0.000 3/36000 70.0 1.860 2.531 2.037 0.000 0.000 -0.000 3/36000 80.0 1.586 2.180 1.745 0.000 0.000 -0.000 3/36000 90.0 1.391 1.924 1.536 0.000 0.000 -0.000 3/36000 100.0 1.246 1.728 1.380 0.000 0.000 -0.000 3/36000 110.0 1.133 1.573 1.259 0.000 0.000 -0.000 3/36000 120.0 1.044 1.445 1.161 0.000 0.000 -0.000 3/36000 130.0 0.970 1.339 1.080 0.000 0.000 -0.000 3/36000 140.0 0.908 1.248 1.012 0.000 0.000 -0.000 3/36000 150.0 0.856 1.169 0.954 0.000 0.000 -0.000 3/36000 160.0 0.810 1.101 0.902 0.000 0.000 -0.000 3/36000 170.0 0.769 1.040 0.856 0.000 0.000 -0.000 3/36000 180.0 0.733 0.986 0.815 0.000 0.000 -0.000 3/36000 190.0 0.701 0.937 0.778 0.000 0.000 -0.000 3/36000 200.0 0.671 0.893 0.743 0.000 0.000 -0.000 3/36000 210.0 0.644 0.853 0.712 0.000 0.000 -0.000 3/36000 220.0 0.620 0.816 0.683 0.000 0.000 -0.000 3/36000 230.0 0.597 0.783 0.657 0.000 0.000 -0.000 3/36000 240.0 0.576 0.752 0.632 0.000 0.000 -0.000 3/36000 250.0 0.556 0.723 0.609 0.000 0.000 -0.000 3/36000 260.0 0.538 0.697 0.587 0.000 0.000 -0.000 3/36000 270.0 0.521 0.673 0.568 0.000 0.000 -0.000 3/36000 280.0 0.505 0.650 0.549 0.000 0.000 -0.000 3/36000 290.0 0.490 0.629 0.532 0.000 0.000 -0.000 3/36000 300.0 0.476 0.609 0.515 0.000 0.000 -0.000 3/36000 310.0 0.463 0.591 0.500 0.000 0.000 -0.000 3/36000 320.0 0.451 0.574 0.486 0.000 0.000 -0.000 3/36000 330.0 0.440 0.558 0.473 0.000 0.000 -0.000 3/36000 340.0 0.429 0.544 0.461 0.000 0.000 -0.000 3/36000 350.0 0.419 0.530 0.450 0.000 0.000 -0.000 3/36000 360.0 0.410 0.518 0.439 0.000 0.000 -0.000 3/36000 370.0 0.402 0.506 0.430 0.000 0.000 -0.000 3/36000 380.0 0.394 0.495 0.421 0.000 0.000 -0.000 3/36000 390.0 0.387 0.485 0.413 0.000 0.000 -0.000 3/36000 400.0 0.381 0.476 0.405 0.000 0.000 -0.000 3/36000 410.0 0.375 0.467 0.398 0.000 0.000 -0.000 3/36000 420.0 0.369 0.460 0.392 0.000 0.000 -0.000 3/36000 430.0 0.364 0.453 0.386 0.000 0.000 -0.000 3/36000 440.0 0.360 0.446 0.381 0.000 0.000 -0.000 3/36000 450.0 0.356 0.440 0.376 0.000 0.000 -0.000 3/36000 460.0 0.353 0.435 0.372 0.000 0.000 -0.000 3/36000 470.0 0.350 0.430 0.369 0.000 0.000 -0.000 3/36000 480.0 0.347 0.426 0.365 0.000 0.000 -0.000 3/36000 490.0 0.345 0.422 0.363 0.000 0.000 0.000 3/36000 500.0 0.343 0.419 0.360 0.000 0.000 0.000 3/36000 510.0 0.341 0.416 0.358 0.000 0.000 0.000 3/36000 520.0 0.340 0.414 0.356 0.000 0.000 0.000 3/36000 530.0 0.339 0.412 0.355 0.000 0.000 0.000 3/36000 540.0 0.338 0.410 0.354 0.000 0.000 0.000 3/36000 550.0 0.338 0.409 0.353 0.000 0.000 0.000 3/36000 560.0 0.338 0.408 0.353 0.000 0.000 0.000 3/36000 570.0 0.338 0.407 0.353 0.000 0.000 0.000 3/36000 580.0 0.338 0.406 0.353 0.000 0.000 0.000 3/36000 590.0 0.339 0.406 0.353 0.000 0.000 0.000 3/36000 600.0 0.339 0.406 0.353 0.000 0.000 0.000 3/36000 610.0 0.340 0.406 0.354 0.000 0.000 0.000 3/36000 620.0 0.341 0.407 0.355 0.000 0.000 0.000 3/36000 630.0 0.342 0.407 0.356 0.000 0.000 0.000 3/36000 640.0 0.343 0.408 0.357 0.000 0.000 0.000 3/36000 650.0 0.345 0.409 0.358 0.000 0.000 0.000 3/36000 660.0 0.346 0.410 0.359 0.000 0.000 0.000 3/36000 670.0 0.348 0.411 0.361 0.000 0.000 0.000 3/36000 680.0 0.350 0.412 0.362 0.000 0.000 0.000 3/36000 690.0 0.351 0.414 0.364 0.000 0.000 0.000 3/36000 700.0 0.353 0.415 0.365 0.000 0.000 0.000 3/36000 710.0 0.355 0.417 0.367 0.000 0.000 0.000 3/36000 720.0 0.357 0.418 0.369 0.000 0.000 0.000 3/36000 730.0 0.359 0.420 0.371 0.000 0.000 0.000 3/36000 740.0 0.361 0.422 0.372 0.000 0.000 0.000 3/36000 750.0 0.363 0.424 0.374 0.000 0.000 0.000 3/36000 760.0 0.365 0.425 0.376 0.000 0.000 0.000 3/36000 770.0 0.367 0.427 0.378 0.000 0.000 0.000 3/36000 780.0 0.369 0.429 0.380 0.000 0.000 0.000 3/36000 790.0 0.371 0.431 0.382 0.000 0.000 0.000 3/36000 800.0 0.373 0.433 0.384 0.000 0.000 0.000 3/36000 810.0 0.376 0.435 0.386 0.000 0.000 0.000 3/36000 820.0 0.378 0.437 0.388 0.000 0.000 0.000 3/36000 830.0 0.380 0.439 0.390 0.000 0.000 0.000 3/36000 840.0 0.382 0.441 0.392 0.000 0.000 0.000 3/36000 850.0 0.384 0.443 0.394 0.000 0.000 0.000 3/36000 860.0 0.386 0.445 0.396 0.000 0.000 0.000 3/36000 870.0 0.388 0.447 0.398 0.000 0.000 0.000 3/36000 880.0 0.390 0.449 0.400 0.000 0.000 0.000 3/36000 890.0 0.392 0.451 0.402 0.000 0.000 0.000 3/36000 900.0 0.394 0.453 0.404 0.000 0.000 0.000 3/36000 910.0 0.396 0.455 0.406 0.000 0.000 0.000 3/36000 920.0 0.398 0.457 0.408 0.000 0.000 0.000 3/36000 930.0 0.400 0.459 0.410 0.000 0.000 0.000 3/36000 940.0 0.402 0.460 0.411 0.000 0.000 0.000 3/36000 950.0 0.404 0.462 0.413 0.000 0.000 0.000 3/36000 960.0 0.406 0.464 0.415 0.000 0.000 0.000 3/36000 970.0 0.408 0.466 0.417 0.000 0.000 0.000 3/36000 980.0 0.410 0.468 0.418 0.000 0.000 0.000 3/36000 990.0 0.411 0.469 0.420 0.000 0.000 0.000 3/36000 1000.0 0.413 0.471 0.422 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m1558.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:55:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|