----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:33:04]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.677754100037053 1.546002050480014 7.150398736666659 b -2.677754100037048 1.546002050480014 7.150398736666659 c 0.000000000000003 -3.092004100960032 7.150398736666659 Atomic positions (fractional): *1 O 0.82949833028449 0.44781638938907 0.06571705513485 15.999 2 O 0.44781638938907 0.06571705513485 0.82949833028449 15.999 3 O 0.06571705513485 0.82949833028449 0.44781638938907 15.999 4 O 0.17050166971551 0.55218361061093 0.93428294486515 15.999 5 O 0.93428294486515 0.17050166971551 0.55218361061093 15.999 6 O 0.55218361061093 0.93428294486515 0.17050166971551 15.999 *7 Sb 0.83343239054192 0.83343239054192 0.83343239054192 121.760 8 Sb 0.16656760945808 0.16656760945809 0.16656760945808 121.760 *9 Tl 0.62173954377265 0.62173954377265 0.62173954377265 204.383 10 Tl 0.37826045622735 0.37826045622735 0.37826045622735 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.355508200074102 0.000000000000000 0.000000000000000 b -2.677754100037051 4.638006151440046 0.000000000000000 c 0.000000000000000 0.000000000000000 21.451196209999999 Atomic positions (fractional): *1 O 0.71515440534835 0.04862686980129 0.11434392493614 15.999 > 1 2 O 0.33347246445293 0.28484559465165 0.11434392493614 15.999 > 2 3 O 0.95137313019871 0.66652753554707 0.11434392493614 15.999 > 3 4 O 0.95151226131832 0.28470646353205 0.21898940839719 15.999 > 4 5 O 0.71529353646795 0.66680579778627 0.21898940839719 15.999 > 5 6 O 0.33319420221373 0.04848773868169 0.21898940839719 15.999 > 6 7 O 0.38182107201502 0.38196020313462 0.44767725826947 15.999 > 1 8 O 0.00013913111960 0.61817892798498 0.44767725826947 15.999 > 2 9 O 0.61803979686538 0.99986086888040 0.44767725826947 15.999 > 3 10 O 0.61817892798498 0.61803979686538 0.55232274173053 15.999 > 4 11 O 0.38196020313462 0.00013913111960 0.55232274173053 15.999 > 5 12 O 0.99986086888040 0.38182107201502 0.55232274173053 15.999 > 6 13 O 0.04848773868169 0.71529353646795 0.78101059160280 15.999 > 1 14 O 0.66680579778627 0.95151226131832 0.78101059160280 15.999 > 2 15 O 0.28470646353205 0.33319420221373 0.78101059160280 15.999 > 3 16 O 0.28484559465165 0.95137313019871 0.88565607506386 15.999 > 4 17 O 0.04862686980129 0.33347246445293 0.88565607506386 15.999 > 5 18 O 0.66652753554707 0.71515440534835 0.88565607506386 15.999 > 6 *19 Sb 0.66666666666667 0.33333333333333 0.16676572387525 121.760 > 7 20 Sb 0.00000000000000 0.00000000000000 0.16656760945808 121.760 > 8 21 Sb 0.33333333333333 0.66666666666667 0.50009905720858 121.760 > 7 22 Sb 0.66666666666667 0.33333333333333 0.49990094279142 121.760 > 8 23 Sb 0.00000000000000 0.00000000000000 0.83343239054191 121.760 > 7 24 Sb 0.33333333333333 0.66666666666667 0.83323427612475 121.760 > 8 *25 Tl 0.33333333333333 0.66666666666667 0.28840621043932 204.383 > 9 26 Tl 0.33333333333333 0.66666666666667 0.04492712289402 204.383 > 10 27 Tl 0.00000000000000 0.00000000000000 0.62173954377265 204.383 > 9 28 Tl 0.00000000000000 0.00000000000000 0.37826045622735 204.383 > 10 29 Tl 0.66666666666667 0.33333333333333 0.95507287710598 204.383 > 9 30 Tl 0.66666666666667 0.33333333333333 0.71159378956068 204.383 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.711016400148203 0.000000000000000 0.000000000000000 b -5.355508200074102 9.276012302880092 0.000000000000000 c 0.000000000000000 0.000000000000000 21.451196209999999 Atomic positions (fractional): *1 O 0.35757720267418 0.02431343490064 0.11434392493614 15.999 > 1 2 O 0.85757720267418 0.02431343490064 0.11434392493614 15.999 > 1 3 O 0.35757720267418 0.52431343490064 0.11434392493614 15.999 > 1 4 O 0.85757720267418 0.52431343490064 0.11434392493614 15.999 > 1 5 O 0.16673623222647 0.14242279732582 0.11434392493614 15.999 > 2 6 O 0.66673623222647 0.14242279732582 0.11434392493614 15.999 > 2 7 O 0.16673623222647 0.64242279732582 0.11434392493614 15.999 > 2 8 O 0.66673623222647 0.64242279732582 0.11434392493614 15.999 > 2 9 O 0.47568656509936 0.33326376777353 0.11434392493614 15.999 > 3 10 O 0.97568656509936 0.33326376777353 0.11434392493614 15.999 > 3 11 O 0.47568656509936 0.83326376777353 0.11434392493614 15.999 > 3 12 O 0.97568656509936 0.83326376777353 0.11434392493614 15.999 > 3 13 O 0.47575613065916 0.14235323176602 0.21898940839719 15.999 > 4 14 O 0.97575613065916 0.14235323176602 0.21898940839719 15.999 > 4 15 O 0.47575613065916 0.64235323176602 0.21898940839719 15.999 > 4 16 O 0.97575613065916 0.64235323176602 0.21898940839719 15.999 > 4 17 O 0.35764676823398 0.33340289889313 0.21898940839719 15.999 > 5 18 O 0.85764676823398 0.33340289889313 0.21898940839719 15.999 > 5 19 O 0.35764676823398 0.83340289889313 0.21898940839719 15.999 > 5 20 O 0.85764676823398 0.83340289889313 0.21898940839719 15.999 > 5 21 O 0.16659710110687 0.02424386934084 0.21898940839719 15.999 > 6 22 O 0.66659710110687 0.02424386934084 0.21898940839719 15.999 > 6 23 O 0.16659710110687 0.52424386934084 0.21898940839719 15.999 > 6 24 O 0.66659710110687 0.52424386934084 0.21898940839719 15.999 > 6 25 O 0.19091053600751 0.19098010156731 0.44767725826947 15.999 > 1 26 O 0.69091053600751 0.19098010156731 0.44767725826947 15.999 > 1 27 O 0.19091053600751 0.69098010156731 0.44767725826947 15.999 > 1 28 O 0.69091053600751 0.69098010156731 0.44767725826947 15.999 > 1 29 O 0.00006956555980 0.30908946399249 0.44767725826947 15.999 > 2 30 O 0.50006956555980 0.30908946399249 0.44767725826947 15.999 > 2 31 O 0.00006956555980 0.80908946399249 0.44767725826947 15.999 > 2 32 O 0.50006956555980 0.80908946399249 0.44767725826947 15.999 > 2 33 O 0.30901989843269 0.49993043444020 0.44767725826947 15.999 > 3 34 O 0.80901989843269 0.49993043444020 0.44767725826947 15.999 > 3 35 O 0.30901989843269 0.99993043444020 0.44767725826947 15.999 > 3 36 O 0.80901989843269 0.99993043444020 0.44767725826947 15.999 > 3 37 O 0.30908946399249 0.30901989843269 0.55232274173053 15.999 > 4 38 O 0.80908946399249 0.30901989843269 0.55232274173053 15.999 > 4 39 O 0.30908946399249 0.80901989843269 0.55232274173053 15.999 > 4 40 O 0.80908946399249 0.80901989843269 0.55232274173053 15.999 > 4 41 O 0.19098010156731 0.00006956555980 0.55232274173053 15.999 > 5 42 O 0.69098010156731 0.00006956555980 0.55232274173053 15.999 > 5 43 O 0.19098010156731 0.50006956555980 0.55232274173053 15.999 > 5 44 O 0.69098010156731 0.50006956555980 0.55232274173053 15.999 > 5 45 O 0.49993043444020 0.19091053600751 0.55232274173053 15.999 > 6 46 O 0.99993043444020 0.19091053600751 0.55232274173053 15.999 > 6 47 O 0.49993043444020 0.69091053600751 0.55232274173053 15.999 > 6 48 O 0.99993043444020 0.69091053600751 0.55232274173053 15.999 > 6 49 O 0.02424386934084 0.35764676823398 0.78101059160280 15.999 > 1 50 O 0.52424386934084 0.35764676823398 0.78101059160280 15.999 > 1 51 O 0.02424386934084 0.85764676823398 0.78101059160280 15.999 > 1 52 O 0.52424386934084 0.85764676823398 0.78101059160280 15.999 > 1 53 O 0.33340289889313 0.47575613065916 0.78101059160280 15.999 > 2 54 O 0.83340289889313 0.47575613065916 0.78101059160280 15.999 > 2 55 O 0.33340289889313 0.97575613065916 0.78101059160280 15.999 > 2 56 O 0.83340289889313 0.97575613065916 0.78101059160280 15.999 > 2 57 O 0.14235323176602 0.16659710110687 0.78101059160280 15.999 > 3 58 O 0.64235323176602 0.16659710110687 0.78101059160280 15.999 > 3 59 O 0.14235323176602 0.66659710110687 0.78101059160280 15.999 > 3 60 O 0.64235323176602 0.66659710110687 0.78101059160280 15.999 > 3 61 O 0.14242279732582 0.47568656509936 0.88565607506386 15.999 > 4 62 O 0.64242279732582 0.47568656509936 0.88565607506386 15.999 > 4 63 O 0.14242279732582 0.97568656509936 0.88565607506386 15.999 > 4 64 O 0.64242279732582 0.97568656509936 0.88565607506386 15.999 > 4 65 O 0.02431343490064 0.16673623222647 0.88565607506386 15.999 > 5 66 O 0.52431343490064 0.16673623222647 0.88565607506386 15.999 > 5 67 O 0.02431343490064 0.66673623222647 0.88565607506386 15.999 > 5 68 O 0.52431343490064 0.66673623222647 0.88565607506386 15.999 > 5 69 O 0.33326376777353 0.35757720267418 0.88565607506386 15.999 > 6 70 O 0.83326376777353 0.35757720267418 0.88565607506386 15.999 > 6 71 O 0.33326376777353 0.85757720267418 0.88565607506386 15.999 > 6 72 O 0.83326376777353 0.85757720267418 0.88565607506386 15.999 > 6 *73 Sb 0.33333333333333 0.16666666666667 0.16676572387525 121.760 > 7 74 Sb 0.83333333333333 0.16666666666667 0.16676572387525 121.760 > 7 75 Sb 0.33333333333333 0.66666666666667 0.16676572387525 121.760 > 7 76 Sb 0.83333333333333 0.66666666666667 0.16676572387525 121.760 > 7 77 Sb 0.00000000000000 0.00000000000000 0.16656760945808 121.760 > 8 78 Sb 0.50000000000000 0.00000000000000 0.16656760945808 121.760 > 8 79 Sb 0.00000000000000 0.50000000000000 0.16656760945808 121.760 > 8 80 Sb 0.50000000000000 0.50000000000000 0.16656760945808 121.760 > 8 81 Sb 0.16666666666667 0.33333333333333 0.50009905720858 121.760 > 7 82 Sb 0.66666666666667 0.33333333333333 0.50009905720858 121.760 > 7 83 Sb 0.16666666666667 0.83333333333333 0.50009905720858 121.760 > 7 84 Sb 0.66666666666667 0.83333333333333 0.50009905720858 121.760 > 7 85 Sb 0.33333333333333 0.16666666666667 0.49990094279142 121.760 > 8 86 Sb 0.83333333333333 0.16666666666667 0.49990094279142 121.760 > 8 87 Sb 0.33333333333333 0.66666666666667 0.49990094279142 121.760 > 8 88 Sb 0.83333333333333 0.66666666666667 0.49990094279142 121.760 > 8 89 Sb 0.00000000000000 0.00000000000000 0.83343239054191 121.760 > 7 90 Sb 0.50000000000000 0.00000000000000 0.83343239054191 121.760 > 7 91 Sb 0.00000000000000 0.50000000000000 0.83343239054191 121.760 > 7 92 Sb 0.50000000000000 0.50000000000000 0.83343239054191 121.760 > 7 93 Sb 0.16666666666667 0.33333333333333 0.83323427612475 121.760 > 8 94 Sb 0.66666666666667 0.33333333333333 0.83323427612475 121.760 > 8 95 Sb 0.16666666666667 0.83333333333333 0.83323427612475 121.760 > 8 96 Sb 0.66666666666667 0.83333333333333 0.83323427612475 121.760 > 8 *97 Tl 0.16666666666667 0.33333333333333 0.28840621043932 204.383 > 9 98 Tl 0.66666666666667 0.33333333333333 0.28840621043932 204.383 > 9 99 Tl 0.16666666666667 0.83333333333333 0.28840621043932 204.383 > 9 100 Tl 0.66666666666667 0.83333333333333 0.28840621043932 204.383 > 9 101 Tl 0.16666666666667 0.33333333333333 0.04492712289402 204.383 > 10 102 Tl 0.66666666666667 0.33333333333333 0.04492712289402 204.383 > 10 103 Tl 0.16666666666667 0.83333333333333 0.04492712289402 204.383 > 10 104 Tl 0.66666666666667 0.83333333333333 0.04492712289402 204.383 > 10 105 Tl 0.00000000000000 0.00000000000000 0.62173954377265 204.383 > 9 106 Tl 0.50000000000000 0.00000000000000 0.62173954377265 204.383 > 9 107 Tl 0.00000000000000 0.50000000000000 0.62173954377265 204.383 > 9 108 Tl 0.50000000000000 0.50000000000000 0.62173954377265 204.383 > 9 109 Tl 0.00000000000000 0.00000000000000 0.37826045622735 204.383 > 10 110 Tl 0.50000000000000 0.00000000000000 0.37826045622735 204.383 > 10 111 Tl 0.00000000000000 0.50000000000000 0.37826045622735 204.383 > 10 112 Tl 0.50000000000000 0.50000000000000 0.37826045622735 204.383 > 10 113 Tl 0.33333333333333 0.16666666666667 0.95507287710598 204.383 > 9 114 Tl 0.83333333333333 0.16666666666667 0.95507287710598 204.383 > 9 115 Tl 0.33333333333333 0.66666666666667 0.95507287710598 204.383 > 9 116 Tl 0.83333333333333 0.66666666666667 0.95507287710598 204.383 > 9 117 Tl 0.33333333333333 0.16666666666667 0.71159378956068 204.383 > 10 118 Tl 0.83333333333333 0.16666666666667 0.71159378956068 204.383 > 10 119 Tl 0.33333333333333 0.66666666666667 0.71159378956068 204.383 > 10 120 Tl 0.83333333333333 0.66666666666667 0.71159378956068 204.383 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5667301 0.0000008 0.0000000 -0.0000008 4.5667301 0.0000000 0.0000000 0.0000000 4.3523511 -------------------------- Born effective charges -------------------------- 1 O -2.2951755 0.1500051 -0.4892917 0.1960546 -2.0910413 -0.6124053 -0.4057114 -0.5828697 -1.8378814 2 O -2.2919231 -0.1979324 -0.2857127 -0.1518829 -2.0942937 0.7299416 -0.3019243 0.6427913 -1.8378814 3 O -1.9922266 -0.0211470 0.7750044 0.0249025 -2.3939902 -0.1175364 0.7076357 -0.0599215 -1.8378814 4 O -2.2951755 0.1500051 -0.4892917 0.1960546 -2.0910413 -0.6124053 -0.4057114 -0.5828697 -1.8378814 5 O -1.9922266 -0.0211470 0.7750044 0.0249025 -2.3939902 -0.1175364 0.7076357 -0.0599215 -1.8378814 6 O -2.2919231 -0.1979324 -0.2857127 -0.1518829 -2.0942937 0.7299416 -0.3019243 0.6427913 -1.8378814 7 Sb 4.9726332 0.0466990 0.0000000 -0.0466990 4.9726332 -0.0000000 0.0000000 -0.0000000 3.3953265 8 Sb 4.9726332 0.0466990 0.0000000 -0.0466990 4.9726332 -0.0000000 0.0000000 -0.0000000 3.3953265 9 Tl 1.6066919 0.0223752 0.0000000 -0.0223752 1.6066919 -0.0000000 0.0000000 -0.0000000 2.1183176 10 Tl 1.6066919 0.0223752 0.0000000 -0.0223752 1.6066919 -0.0000000 0.0000000 -0.0000000 2.1183176 ---------------------------------------------------------------------------- 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: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.020 Solver_block: 100 / 240 - Time: 1.056 Solver_block: 200 / 240 - Time: 1.272 Solver_block: 240 / 240 - Time: 0.499 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.894 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) 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 08:33:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:33:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.677754100037053 1.546002050480014 7.150398736666659 b -2.677754100037048 1.546002050480014 7.150398736666659 c 0.000000000000003 -3.092004100960032 7.150398736666659 Atomic positions (fractional): 1 O 0.82949833028449 0.44781638938907 0.06571705513485 15.999 2 O 0.44781638938907 0.06571705513485 0.82949833028449 15.999 3 O 0.06571705513485 0.82949833028449 0.44781638938907 15.999 4 O 0.17050166971551 0.55218361061093 0.93428294486515 15.999 5 O 0.93428294486515 0.17050166971551 0.55218361061093 15.999 6 O 0.55218361061093 0.93428294486515 0.17050166971551 15.999 7 Sb 0.83343239054192 0.83343239054192 0.83343239054192 121.760 8 Sb 0.16656760945808 0.16656760945809 0.16656760945808 121.760 9 Tl 0.62173954377265 0.62173954377265 0.62173954377265 204.383 10 Tl 0.37826045622735 0.37826045622735 0.37826045622735 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.711016400148203 0.000000000000000 0.000000000000000 b -5.355508200074102 9.276012302880092 0.000000000000000 c 0.000000000000000 0.000000000000000 21.451196209999999 Atomic positions (fractional): 1 O 0.35757720267418 0.02431343490064 0.11434392493614 15.999 > 1 2 O 0.85757720267418 0.02431343490064 0.11434392493614 15.999 > 1 3 O 0.35757720267418 0.52431343490064 0.11434392493614 15.999 > 1 4 O 0.85757720267418 0.52431343490064 0.11434392493614 15.999 > 1 5 O 0.16673623222647 0.14242279732582 0.11434392493614 15.999 > 5 6 O 0.66673623222647 0.14242279732582 0.11434392493614 15.999 > 5 7 O 0.16673623222647 0.64242279732582 0.11434392493614 15.999 > 5 8 O 0.66673623222647 0.64242279732582 0.11434392493614 15.999 > 5 9 O 0.47568656509936 0.33326376777353 0.11434392493614 15.999 > 9 10 O 0.97568656509936 0.33326376777353 0.11434392493614 15.999 > 9 11 O 0.47568656509936 0.83326376777353 0.11434392493614 15.999 > 9 12 O 0.97568656509936 0.83326376777353 0.11434392493614 15.999 > 9 13 O 0.47575613065916 0.14235323176602 0.21898940839719 15.999 > 13 14 O 0.97575613065916 0.14235323176602 0.21898940839719 15.999 > 13 15 O 0.47575613065916 0.64235323176602 0.21898940839719 15.999 > 13 16 O 0.97575613065916 0.64235323176602 0.21898940839719 15.999 > 13 17 O 0.35764676823398 0.33340289889313 0.21898940839719 15.999 > 17 18 O 0.85764676823398 0.33340289889313 0.21898940839719 15.999 > 17 19 O 0.35764676823398 0.83340289889313 0.21898940839719 15.999 > 17 20 O 0.85764676823398 0.83340289889313 0.21898940839719 15.999 > 17 21 O 0.16659710110687 0.02424386934084 0.21898940839719 15.999 > 21 22 O 0.66659710110687 0.02424386934084 0.21898940839719 15.999 > 21 23 O 0.16659710110687 0.52424386934084 0.21898940839719 15.999 > 21 24 O 0.66659710110687 0.52424386934084 0.21898940839719 15.999 > 21 25 O 0.19091053600751 0.19098010156731 0.44767725826947 15.999 > 1 26 O 0.69091053600751 0.19098010156731 0.44767725826947 15.999 > 1 27 O 0.19091053600751 0.69098010156731 0.44767725826947 15.999 > 1 28 O 0.69091053600751 0.69098010156731 0.44767725826947 15.999 > 1 29 O 0.00006956555980 0.30908946399249 0.44767725826947 15.999 > 5 30 O 0.50006956555980 0.30908946399249 0.44767725826947 15.999 > 5 31 O 0.00006956555980 0.80908946399249 0.44767725826947 15.999 > 5 32 O 0.50006956555980 0.80908946399249 0.44767725826947 15.999 > 5 33 O 0.30901989843269 0.49993043444020 0.44767725826947 15.999 > 9 34 O 0.80901989843269 0.49993043444020 0.44767725826947 15.999 > 9 35 O 0.30901989843269 0.99993043444020 0.44767725826947 15.999 > 9 36 O 0.80901989843269 0.99993043444020 0.44767725826947 15.999 > 9 37 O 0.30908946399249 0.30901989843269 0.55232274173053 15.999 > 13 38 O 0.80908946399249 0.30901989843269 0.55232274173053 15.999 > 13 39 O 0.30908946399249 0.80901989843269 0.55232274173053 15.999 > 13 40 O 0.80908946399249 0.80901989843269 0.55232274173053 15.999 > 13 41 O 0.19098010156731 0.00006956555980 0.55232274173053 15.999 > 17 42 O 0.69098010156731 0.00006956555980 0.55232274173053 15.999 > 17 43 O 0.19098010156731 0.50006956555980 0.55232274173053 15.999 > 17 44 O 0.69098010156731 0.50006956555980 0.55232274173053 15.999 > 17 45 O 0.49993043444020 0.19091053600751 0.55232274173053 15.999 > 21 46 O 0.99993043444020 0.19091053600751 0.55232274173053 15.999 > 21 47 O 0.49993043444020 0.69091053600751 0.55232274173053 15.999 > 21 48 O 0.99993043444020 0.69091053600751 0.55232274173053 15.999 > 21 49 O 0.02424386934084 0.35764676823398 0.78101059160280 15.999 > 1 50 O 0.52424386934084 0.35764676823398 0.78101059160280 15.999 > 1 51 O 0.02424386934084 0.85764676823398 0.78101059160280 15.999 > 1 52 O 0.52424386934084 0.85764676823398 0.78101059160280 15.999 > 1 53 O 0.33340289889313 0.47575613065916 0.78101059160280 15.999 > 5 54 O 0.83340289889313 0.47575613065916 0.78101059160280 15.999 > 5 55 O 0.33340289889313 0.97575613065916 0.78101059160280 15.999 > 5 56 O 0.83340289889313 0.97575613065916 0.78101059160280 15.999 > 5 57 O 0.14235323176602 0.16659710110687 0.78101059160280 15.999 > 9 58 O 0.64235323176602 0.16659710110687 0.78101059160280 15.999 > 9 59 O 0.14235323176602 0.66659710110687 0.78101059160280 15.999 > 9 60 O 0.64235323176602 0.66659710110687 0.78101059160280 15.999 > 9 61 O 0.14242279732582 0.47568656509936 0.88565607506386 15.999 > 13 62 O 0.64242279732582 0.47568656509936 0.88565607506386 15.999 > 13 63 O 0.14242279732582 0.97568656509936 0.88565607506386 15.999 > 13 64 O 0.64242279732582 0.97568656509936 0.88565607506386 15.999 > 13 65 O 0.02431343490064 0.16673623222647 0.88565607506386 15.999 > 17 66 O 0.52431343490064 0.16673623222647 0.88565607506386 15.999 > 17 67 O 0.02431343490064 0.66673623222647 0.88565607506386 15.999 > 17 68 O 0.52431343490064 0.66673623222647 0.88565607506386 15.999 > 17 69 O 0.33326376777353 0.35757720267418 0.88565607506386 15.999 > 21 70 O 0.83326376777353 0.35757720267418 0.88565607506386 15.999 > 21 71 O 0.33326376777353 0.85757720267418 0.88565607506386 15.999 > 21 72 O 0.83326376777353 0.85757720267418 0.88565607506386 15.999 > 21 73 Sb 0.33333333333333 0.16666666666667 0.16676572387525 121.760 > 73 74 Sb 0.83333333333333 0.16666666666667 0.16676572387525 121.760 > 73 75 Sb 0.33333333333333 0.66666666666667 0.16676572387525 121.760 > 73 76 Sb 0.83333333333333 0.66666666666667 0.16676572387525 121.760 > 73 77 Sb 0.00000000000000 0.00000000000000 0.16656760945808 121.760 > 77 78 Sb 0.50000000000000 0.00000000000000 0.16656760945808 121.760 > 77 79 Sb 0.00000000000000 0.50000000000000 0.16656760945808 121.760 > 77 80 Sb 0.50000000000000 0.50000000000000 0.16656760945808 121.760 > 77 81 Sb 0.16666666666667 0.33333333333333 0.50009905720858 121.760 > 73 82 Sb 0.66666666666667 0.33333333333333 0.50009905720858 121.760 > 73 83 Sb 0.16666666666667 0.83333333333333 0.50009905720858 121.760 > 73 84 Sb 0.66666666666667 0.83333333333333 0.50009905720858 121.760 > 73 85 Sb 0.33333333333333 0.16666666666667 0.49990094279142 121.760 > 77 86 Sb 0.83333333333333 0.16666666666667 0.49990094279142 121.760 > 77 87 Sb 0.33333333333333 0.66666666666667 0.49990094279142 121.760 > 77 88 Sb 0.83333333333333 0.66666666666667 0.49990094279142 121.760 > 77 89 Sb 0.00000000000000 0.00000000000000 0.83343239054191 121.760 > 73 90 Sb 0.50000000000000 0.00000000000000 0.83343239054191 121.760 > 73 91 Sb 0.00000000000000 0.50000000000000 0.83343239054191 121.760 > 73 92 Sb 0.50000000000000 0.50000000000000 0.83343239054191 121.760 > 73 93 Sb 0.16666666666667 0.33333333333333 0.83323427612475 121.760 > 77 94 Sb 0.66666666666667 0.33333333333333 0.83323427612475 121.760 > 77 95 Sb 0.16666666666667 0.83333333333333 0.83323427612475 121.760 > 77 96 Sb 0.66666666666667 0.83333333333333 0.83323427612475 121.760 > 77 97 Tl 0.16666666666667 0.33333333333333 0.28840621043932 204.383 > 97 98 Tl 0.66666666666667 0.33333333333333 0.28840621043932 204.383 > 97 99 Tl 0.16666666666667 0.83333333333333 0.28840621043932 204.383 > 97 100 Tl 0.66666666666667 0.83333333333333 0.28840621043932 204.383 > 97 101 Tl 0.16666666666667 0.33333333333333 0.04492712289402 204.383 > 101 102 Tl 0.66666666666667 0.33333333333333 0.04492712289402 204.383 > 101 103 Tl 0.16666666666667 0.83333333333333 0.04492712289402 204.383 > 101 104 Tl 0.66666666666667 0.83333333333333 0.04492712289402 204.383 > 101 105 Tl 0.00000000000000 0.00000000000000 0.62173954377265 204.383 > 97 106 Tl 0.50000000000000 0.00000000000000 0.62173954377265 204.383 > 97 107 Tl 0.00000000000000 0.50000000000000 0.62173954377265 204.383 > 97 108 Tl 0.50000000000000 0.50000000000000 0.62173954377265 204.383 > 97 109 Tl 0.00000000000000 0.00000000000000 0.37826045622735 204.383 > 101 110 Tl 0.50000000000000 0.00000000000000 0.37826045622735 204.383 > 101 111 Tl 0.00000000000000 0.50000000000000 0.37826045622735 204.383 > 101 112 Tl 0.50000000000000 0.50000000000000 0.37826045622735 204.383 > 101 113 Tl 0.33333333333333 0.16666666666667 0.95507287710598 204.383 > 97 114 Tl 0.83333333333333 0.16666666666667 0.95507287710598 204.383 > 97 115 Tl 0.33333333333333 0.66666666666667 0.95507287710598 204.383 > 97 116 Tl 0.83333333333333 0.66666666666667 0.95507287710598 204.383 > 97 117 Tl 0.33333333333333 0.16666666666667 0.71159378956068 204.383 > 101 118 Tl 0.83333333333333 0.16666666666667 0.71159378956068 204.383 > 101 119 Tl 0.33333333333333 0.66666666666667 0.71159378956068 204.383 > 101 120 Tl 0.83333333333333 0.66666666666667 0.71159378956068 204.383 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5667301 0.0000008 0.0000000 -0.0000008 4.5667301 0.0000000 0.0000000 0.0000000 4.3523511 -------------------------- Born effective charges -------------------------- 1 O -2.2951755 0.1500051 -0.4892917 0.1960546 -2.0910413 -0.6124053 -0.4057114 -0.5828697 -1.8378814 2 O -2.2919231 -0.1979324 -0.2857127 -0.1518829 -2.0942937 0.7299416 -0.3019243 0.6427913 -1.8378814 3 O -1.9922266 -0.0211470 0.7750044 0.0249025 -2.3939902 -0.1175364 0.7076357 -0.0599215 -1.8378814 4 O -2.2951755 0.1500051 -0.4892917 0.1960546 -2.0910413 -0.6124053 -0.4057114 -0.5828697 -1.8378814 5 O -1.9922266 -0.0211470 0.7750044 0.0249025 -2.3939902 -0.1175364 0.7076357 -0.0599215 -1.8378814 6 O -2.2919231 -0.1979324 -0.2857127 -0.1518829 -2.0942937 0.7299416 -0.3019243 0.6427913 -1.8378814 7 Sb 4.9726332 0.0466990 0.0000000 -0.0466990 4.9726332 -0.0000000 0.0000000 -0.0000000 3.3953265 8 Sb 4.9726332 0.0466990 0.0000000 -0.0466990 4.9726332 -0.0000000 0.0000000 -0.0000000 3.3953265 9 Tl 1.6066919 0.0223752 0.0000000 -0.0223752 1.6066919 -0.0000000 0.0000000 -0.0000000 2.1183176 10 Tl 1.6066919 0.0223752 0.0000000 -0.0223752 1.6066919 -0.0000000 0.0000000 -0.0000000 2.1183176 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 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 0.0000 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) 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 08:33:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:33:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.677754100037053 1.546002050480014 7.150398736666659 b -2.677754100037048 1.546002050480014 7.150398736666659 c 0.000000000000003 -3.092004100960032 7.150398736666659 Atomic positions (fractional): 1 O 0.82949833028449 0.44781638938907 0.06571705513485 15.999 2 O 0.44781638938907 0.06571705513485 0.82949833028449 15.999 3 O 0.06571705513485 0.82949833028449 0.44781638938907 15.999 4 O 0.17050166971551 0.55218361061093 0.93428294486515 15.999 5 O 0.93428294486515 0.17050166971551 0.55218361061093 15.999 6 O 0.55218361061093 0.93428294486515 0.17050166971551 15.999 7 Sb 0.83343239054192 0.83343239054192 0.83343239054192 121.760 8 Sb 0.16656760945808 0.16656760945809 0.16656760945808 121.760 9 Tl 0.62173954377265 0.62173954377265 0.62173954377265 204.383 10 Tl 0.37826045622735 0.37826045622735 0.37826045622735 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.711016400148203 0.000000000000000 0.000000000000000 b -5.355508200074102 9.276012302880092 0.000000000000000 c 0.000000000000000 0.000000000000000 21.451196209999999 Atomic positions (fractional): 1 O 0.35757720267418 0.02431343490064 0.11434392493614 15.999 > 1 2 O 0.85757720267418 0.02431343490064 0.11434392493614 15.999 > 1 3 O 0.35757720267418 0.52431343490064 0.11434392493614 15.999 > 1 4 O 0.85757720267418 0.52431343490064 0.11434392493614 15.999 > 1 5 O 0.16673623222647 0.14242279732582 0.11434392493614 15.999 > 5 6 O 0.66673623222647 0.14242279732582 0.11434392493614 15.999 > 5 7 O 0.16673623222647 0.64242279732582 0.11434392493614 15.999 > 5 8 O 0.66673623222647 0.64242279732582 0.11434392493614 15.999 > 5 9 O 0.47568656509936 0.33326376777353 0.11434392493614 15.999 > 9 10 O 0.97568656509936 0.33326376777353 0.11434392493614 15.999 > 9 11 O 0.47568656509936 0.83326376777353 0.11434392493614 15.999 > 9 12 O 0.97568656509936 0.83326376777353 0.11434392493614 15.999 > 9 13 O 0.47575613065916 0.14235323176602 0.21898940839719 15.999 > 13 14 O 0.97575613065916 0.14235323176602 0.21898940839719 15.999 > 13 15 O 0.47575613065916 0.64235323176602 0.21898940839719 15.999 > 13 16 O 0.97575613065916 0.64235323176602 0.21898940839719 15.999 > 13 17 O 0.35764676823398 0.33340289889313 0.21898940839719 15.999 > 17 18 O 0.85764676823398 0.33340289889313 0.21898940839719 15.999 > 17 19 O 0.35764676823398 0.83340289889313 0.21898940839719 15.999 > 17 20 O 0.85764676823398 0.83340289889313 0.21898940839719 15.999 > 17 21 O 0.16659710110687 0.02424386934084 0.21898940839719 15.999 > 21 22 O 0.66659710110687 0.02424386934084 0.21898940839719 15.999 > 21 23 O 0.16659710110687 0.52424386934084 0.21898940839719 15.999 > 21 24 O 0.66659710110687 0.52424386934084 0.21898940839719 15.999 > 21 25 O 0.19091053600751 0.19098010156731 0.44767725826947 15.999 > 1 26 O 0.69091053600751 0.19098010156731 0.44767725826947 15.999 > 1 27 O 0.19091053600751 0.69098010156731 0.44767725826947 15.999 > 1 28 O 0.69091053600751 0.69098010156731 0.44767725826947 15.999 > 1 29 O 0.00006956555980 0.30908946399249 0.44767725826947 15.999 > 5 30 O 0.50006956555980 0.30908946399249 0.44767725826947 15.999 > 5 31 O 0.00006956555980 0.80908946399249 0.44767725826947 15.999 > 5 32 O 0.50006956555980 0.80908946399249 0.44767725826947 15.999 > 5 33 O 0.30901989843269 0.49993043444020 0.44767725826947 15.999 > 9 34 O 0.80901989843269 0.49993043444020 0.44767725826947 15.999 > 9 35 O 0.30901989843269 0.99993043444020 0.44767725826947 15.999 > 9 36 O 0.80901989843269 0.99993043444020 0.44767725826947 15.999 > 9 37 O 0.30908946399249 0.30901989843269 0.55232274173053 15.999 > 13 38 O 0.80908946399249 0.30901989843269 0.55232274173053 15.999 > 13 39 O 0.30908946399249 0.80901989843269 0.55232274173053 15.999 > 13 40 O 0.80908946399249 0.80901989843269 0.55232274173053 15.999 > 13 41 O 0.19098010156731 0.00006956555980 0.55232274173053 15.999 > 17 42 O 0.69098010156731 0.00006956555980 0.55232274173053 15.999 > 17 43 O 0.19098010156731 0.50006956555980 0.55232274173053 15.999 > 17 44 O 0.69098010156731 0.50006956555980 0.55232274173053 15.999 > 17 45 O 0.49993043444020 0.19091053600751 0.55232274173053 15.999 > 21 46 O 0.99993043444020 0.19091053600751 0.55232274173053 15.999 > 21 47 O 0.49993043444020 0.69091053600751 0.55232274173053 15.999 > 21 48 O 0.99993043444020 0.69091053600751 0.55232274173053 15.999 > 21 49 O 0.02424386934084 0.35764676823398 0.78101059160280 15.999 > 1 50 O 0.52424386934084 0.35764676823398 0.78101059160280 15.999 > 1 51 O 0.02424386934084 0.85764676823398 0.78101059160280 15.999 > 1 52 O 0.52424386934084 0.85764676823398 0.78101059160280 15.999 > 1 53 O 0.33340289889313 0.47575613065916 0.78101059160280 15.999 > 5 54 O 0.83340289889313 0.47575613065916 0.78101059160280 15.999 > 5 55 O 0.33340289889313 0.97575613065916 0.78101059160280 15.999 > 5 56 O 0.83340289889313 0.97575613065916 0.78101059160280 15.999 > 5 57 O 0.14235323176602 0.16659710110687 0.78101059160280 15.999 > 9 58 O 0.64235323176602 0.16659710110687 0.78101059160280 15.999 > 9 59 O 0.14235323176602 0.66659710110687 0.78101059160280 15.999 > 9 60 O 0.64235323176602 0.66659710110687 0.78101059160280 15.999 > 9 61 O 0.14242279732582 0.47568656509936 0.88565607506386 15.999 > 13 62 O 0.64242279732582 0.47568656509936 0.88565607506386 15.999 > 13 63 O 0.14242279732582 0.97568656509936 0.88565607506386 15.999 > 13 64 O 0.64242279732582 0.97568656509936 0.88565607506386 15.999 > 13 65 O 0.02431343490064 0.16673623222647 0.88565607506386 15.999 > 17 66 O 0.52431343490064 0.16673623222647 0.88565607506386 15.999 > 17 67 O 0.02431343490064 0.66673623222647 0.88565607506386 15.999 > 17 68 O 0.52431343490064 0.66673623222647 0.88565607506386 15.999 > 17 69 O 0.33326376777353 0.35757720267418 0.88565607506386 15.999 > 21 70 O 0.83326376777353 0.35757720267418 0.88565607506386 15.999 > 21 71 O 0.33326376777353 0.85757720267418 0.88565607506386 15.999 > 21 72 O 0.83326376777353 0.85757720267418 0.88565607506386 15.999 > 21 73 Sb 0.33333333333333 0.16666666666667 0.16676572387525 121.760 > 73 74 Sb 0.83333333333333 0.16666666666667 0.16676572387525 121.760 > 73 75 Sb 0.33333333333333 0.66666666666667 0.16676572387525 121.760 > 73 76 Sb 0.83333333333333 0.66666666666667 0.16676572387525 121.760 > 73 77 Sb 0.00000000000000 0.00000000000000 0.16656760945808 121.760 > 77 78 Sb 0.50000000000000 0.00000000000000 0.16656760945808 121.760 > 77 79 Sb 0.00000000000000 0.50000000000000 0.16656760945808 121.760 > 77 80 Sb 0.50000000000000 0.50000000000000 0.16656760945808 121.760 > 77 81 Sb 0.16666666666667 0.33333333333333 0.50009905720858 121.760 > 73 82 Sb 0.66666666666667 0.33333333333333 0.50009905720858 121.760 > 73 83 Sb 0.16666666666667 0.83333333333333 0.50009905720858 121.760 > 73 84 Sb 0.66666666666667 0.83333333333333 0.50009905720858 121.760 > 73 85 Sb 0.33333333333333 0.16666666666667 0.49990094279142 121.760 > 77 86 Sb 0.83333333333333 0.16666666666667 0.49990094279142 121.760 > 77 87 Sb 0.33333333333333 0.66666666666667 0.49990094279142 121.760 > 77 88 Sb 0.83333333333333 0.66666666666667 0.49990094279142 121.760 > 77 89 Sb 0.00000000000000 0.00000000000000 0.83343239054191 121.760 > 73 90 Sb 0.50000000000000 0.00000000000000 0.83343239054191 121.760 > 73 91 Sb 0.00000000000000 0.50000000000000 0.83343239054191 121.760 > 73 92 Sb 0.50000000000000 0.50000000000000 0.83343239054191 121.760 > 73 93 Sb 0.16666666666667 0.33333333333333 0.83323427612475 121.760 > 77 94 Sb 0.66666666666667 0.33333333333333 0.83323427612475 121.760 > 77 95 Sb 0.16666666666667 0.83333333333333 0.83323427612475 121.760 > 77 96 Sb 0.66666666666667 0.83333333333333 0.83323427612475 121.760 > 77 97 Tl 0.16666666666667 0.33333333333333 0.28840621043932 204.383 > 97 98 Tl 0.66666666666667 0.33333333333333 0.28840621043932 204.383 > 97 99 Tl 0.16666666666667 0.83333333333333 0.28840621043932 204.383 > 97 100 Tl 0.66666666666667 0.83333333333333 0.28840621043932 204.383 > 97 101 Tl 0.16666666666667 0.33333333333333 0.04492712289402 204.383 > 101 102 Tl 0.66666666666667 0.33333333333333 0.04492712289402 204.383 > 101 103 Tl 0.16666666666667 0.83333333333333 0.04492712289402 204.383 > 101 104 Tl 0.66666666666667 0.83333333333333 0.04492712289402 204.383 > 101 105 Tl 0.00000000000000 0.00000000000000 0.62173954377265 204.383 > 97 106 Tl 0.50000000000000 0.00000000000000 0.62173954377265 204.383 > 97 107 Tl 0.00000000000000 0.50000000000000 0.62173954377265 204.383 > 97 108 Tl 0.50000000000000 0.50000000000000 0.62173954377265 204.383 > 97 109 Tl 0.00000000000000 0.00000000000000 0.37826045622735 204.383 > 101 110 Tl 0.50000000000000 0.00000000000000 0.37826045622735 204.383 > 101 111 Tl 0.00000000000000 0.50000000000000 0.37826045622735 204.383 > 101 112 Tl 0.50000000000000 0.50000000000000 0.37826045622735 204.383 > 101 113 Tl 0.33333333333333 0.16666666666667 0.95507287710598 204.383 > 97 114 Tl 0.83333333333333 0.16666666666667 0.95507287710598 204.383 > 97 115 Tl 0.33333333333333 0.66666666666667 0.95507287710598 204.383 > 97 116 Tl 0.83333333333333 0.66666666666667 0.95507287710598 204.383 > 97 117 Tl 0.33333333333333 0.16666666666667 0.71159378956068 204.383 > 101 118 Tl 0.83333333333333 0.16666666666667 0.71159378956068 204.383 > 101 119 Tl 0.33333333333333 0.66666666666667 0.71159378956068 204.383 > 101 120 Tl 0.83333333333333 0.66666666666667 0.71159378956068 204.383 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5667301 0.0000008 0.0000000 -0.0000008 4.5667301 0.0000000 0.0000000 0.0000000 4.3523511 -------------------------- Born effective charges -------------------------- 1 O -2.2951755 0.1500051 -0.4892917 0.1960546 -2.0910413 -0.6124053 -0.4057114 -0.5828697 -1.8378814 2 O -2.2919231 -0.1979324 -0.2857127 -0.1518829 -2.0942937 0.7299416 -0.3019243 0.6427913 -1.8378814 3 O -1.9922266 -0.0211470 0.7750044 0.0249025 -2.3939902 -0.1175364 0.7076357 -0.0599215 -1.8378814 4 O -2.2951755 0.1500051 -0.4892917 0.1960546 -2.0910413 -0.6124053 -0.4057114 -0.5828697 -1.8378814 5 O -1.9922266 -0.0211470 0.7750044 0.0249025 -2.3939902 -0.1175364 0.7076357 -0.0599215 -1.8378814 6 O -2.2919231 -0.1979324 -0.2857127 -0.1518829 -2.0942937 0.7299416 -0.3019243 0.6427913 -1.8378814 7 Sb 4.9726332 0.0466990 0.0000000 -0.0466990 4.9726332 -0.0000000 0.0000000 -0.0000000 3.3953265 8 Sb 4.9726332 0.0466990 0.0000000 -0.0466990 4.9726332 -0.0000000 0.0000000 -0.0000000 3.3953265 9 Tl 1.6066919 0.0223752 0.0000000 -0.0223752 1.6066919 -0.0000000 0.0000000 -0.0000000 2.1183176 10 Tl 1.6066919 0.0223752 0.0000000 -0.0223752 1.6066919 -0.0000000 0.0000000 -0.0000000 2.1183176 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- 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 ... [ 11 11 11 ] 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: 0.74, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 226 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 1.642 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 15.901 ( 0.000 0.000 0.000) 0.000 15.901 ( 0.000 0.000 0.000) 0.000 16.692 ( 0.000 0.000 0.000) 0.000 17.506 ( 0.000 0.000 0.000) 0.000 18.626 ( 0.000 0.000 0.000) 0.000 18.664 ( 0.000 0.000 0.000) 0.000 18.664 ( 0.000 0.000 0.000) 0.000 19.048 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.098 ( 6.767 3.603 2.950) 8.215 0.423 ( 19.504 7.817 0.345) 21.015 0.868 ( 33.702 20.922 1.551) 39.698 1.620 ( -2.108 -0.459 0.006) 2.158 1.645 ( -0.148 0.874 -0.175) 0.904 2.167 ( -1.921 -1.523 0.518) 2.506 2.219 ( -7.312 -4.038 0.049) 8.353 2.539 ( 3.204 0.030 -4.208) 5.289 2.761 ( 9.554 7.071 10.877) 16.112 4.293 ( -1.905 -1.081 -0.102) 2.193 5.514 ( 0.754 -0.434 0.635) 1.077 5.530 ( 1.807 1.402 -0.103) 2.290 7.411 ( -1.471 -0.670 -1.414) 2.147 7.557 ( -4.085 -2.474 1.402) 4.978 8.441 ( -5.124 -2.932 -0.241) 5.908 8.828 ( -11.305 -6.758 -0.895) 13.202 9.049 ( 5.668 3.912 0.024) 6.887 9.451 ( 8.528 4.925 -11.062) 14.810 14.630 ( 0.861 2.516 -0.814) 2.781 14.737 ( -0.377 -0.845 -0.323) 0.980 14.816 ( 5.586 3.672 0.560) 6.709 15.300 ( 5.015 1.734 -8.514) 10.033 15.884 ( -1.393 -0.894 0.199) 1.667 16.598 ( 1.752 0.260 -19.618) 19.697 17.485 ( -1.891 -1.095 0.012) 2.185 18.383 ( -9.102 -11.812 4.802) 15.666 18.645 ( -0.417 -0.825 0.058) 0.927 18.668 ( 1.534 -0.342 -1.048) 1.889 18.820 ( 1.545 9.170 8.951) 12.907 19.073 ( 2.113 1.214 0.215) 2.447 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 12.226 7.546 -0.056) 14.367 0.801 ( 16.159 6.222 0.557) 17.324 1.474 ( 16.839 10.411 1.141) 19.831 1.576 ( -2.068 -0.398 0.251) 2.121 1.653 ( -0.238 1.628 -0.247) 1.663 2.087 ( -3.919 -1.380 0.727) 4.218 2.113 ( -2.998 -2.231 1.202) 3.926 2.549 ( 0.329 -1.564 4.513) 4.787 3.203 ( 26.717 16.049 -1.020) 31.183 4.214 ( -5.274 -2.928 -0.394) 6.045 5.532 ( 1.224 -0.207 1.251) 1.762 5.599 ( 4.029 2.653 -0.203) 4.828 7.359 ( -3.416 -0.188 -3.570) 4.944 7.439 ( -5.597 -4.848 2.805) 7.919 8.298 ( -7.805 -3.115 -0.426) 8.415 8.483 ( -17.777 -11.842 -0.351) 21.363 9.208 ( 7.238 4.906 0.003) 8.744 9.619 ( 8.727 5.107 -4.357) 11.010 14.692 ( 1.745 6.074 -0.310) 6.327 14.717 ( 0.214 -2.202 -0.950) 2.407 14.990 ( 8.500 5.392 0.660) 10.087 15.386 ( 6.137 1.648 -5.231) 8.231 15.846 ( -1.632 -1.104 0.278) 1.990 16.526 ( -3.602 -4.130 2.382) 5.976 17.419 ( -4.009 -2.342 0.045) 4.644 18.145 ( -6.254 -8.581 -5.041) 11.754 18.620 ( -0.792 -1.394 -1.215) 2.012 18.695 ( 1.064 0.474 1.618) 1.994 18.931 ( -0.009 6.315 0.966) 6.388 19.140 ( 3.467 2.220 0.038) 4.117 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 13.255 8.702 -2.776) 16.098 1.077 ( 10.225 3.111 0.512) 10.700 1.559 ( 0.084 0.204 0.995) 1.019 1.652 ( -0.920 3.993 2.519) 4.810 1.689 ( 3.066 -0.687 0.956) 3.284 2.017 ( -4.557 0.062 -2.022) 4.986 2.096 ( 1.636 -0.974 4.016) 4.444 2.592 ( 4.223 1.374 1.572) 4.711 3.929 ( 34.812 19.133 0.221) 39.724 4.047 ( -8.476 -4.183 -0.450) 9.463 5.562 ( 1.448 0.418 1.282) 1.979 5.716 ( 6.149 3.534 -0.324) 7.100 7.216 ( -9.817 -3.074 -0.217) 10.289 7.364 ( 0.215 -2.025 -0.992) 2.265 7.999 ( -25.877 -9.717 -0.000) 27.641 8.123 ( -6.004 -8.755 -0.418) 10.624 9.373 ( 6.558 4.263 -0.082) 7.822 9.795 ( 7.634 4.572 -2.011) 9.123 14.693 ( -0.506 -0.882 -0.805) 1.297 14.807 ( 4.302 6.482 0.124) 7.781 15.179 ( 6.523 4.588 0.427) 7.987 15.482 ( 5.582 1.093 -4.008) 6.959 15.827 ( 0.240 -0.456 1.055) 1.174 16.423 ( -4.681 -5.984 8.523) 11.418 17.302 ( -6.229 -3.683 0.071) 7.237 17.981 ( -2.374 -3.926 -7.203) 8.540 18.586 ( -0.528 -1.686 -1.765) 2.497 18.720 ( 0.037 0.778 2.553) 2.669 18.961 ( -1.334 3.334 -1.791) 4.013 19.220 ( 2.993 2.251 -0.578) 3.789 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 8.587 6.212 -4.063) 11.351 1.214 ( 4.212 0.375 0.402) 4.248 1.569 ( -0.353 0.465 -0.105) 0.593 1.708 ( 1.093 -2.329 2.198) 3.383 1.720 ( 2.854 5.282 3.928) 7.175 1.932 ( -4.162 -0.506 -0.073) 4.194 2.114 ( -0.515 -1.819 2.361) 3.025 2.757 ( 11.206 5.775 -1.114) 12.656 3.771 ( -14.116 -7.835 0.130) 16.145 4.765 ( 36.512 19.969 0.995) 41.628 5.596 ( 1.302 0.649 0.750) 1.636 5.861 ( 6.318 3.367 -0.342) 7.167 7.007 ( -9.862 -4.171 0.656) 10.728 7.375 ( -0.032 1.496 -2.393) 2.822 7.429 ( -24.409 -14.251 0.542) 28.270 7.934 ( -7.282 -6.080 -0.179) 9.488 9.503 ( 4.513 2.804 -0.128) 5.315 9.938 ( 5.165 3.158 -0.865) 6.116 14.677 ( -0.130 -0.663 -0.644) 0.934 14.953 ( 4.576 6.230 0.665) 7.759 15.288 ( 2.672 2.940 -0.327) 3.986 15.556 ( 3.721 0.713 -2.973) 4.816 15.823 ( -1.855 -3.415 3.855) 5.474 16.371 ( 1.385 -1.571 4.982) 5.405 17.140 ( -7.835 -4.663 0.022) 9.118 17.925 ( 0.739 -0.375 -4.776) 4.847 18.557 ( -0.115 -1.511 -1.555) 2.171 18.731 ( -0.858 0.774 2.215) 2.498 18.950 ( -1.317 1.298 -2.128) 2.819 19.273 ( 1.541 1.416 -0.886) 2.272 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.524 1.970 -1.830) 3.688 1.257 ( 1.091 -0.044 0.156) 1.103 1.562 ( -0.543 0.328 -0.038) 0.636 1.710 ( 0.388 -0.930 0.741) 1.251 1.826 ( 1.000 1.451 0.145) 1.768 1.906 ( 1.702 2.192 2.692) 3.866 2.062 ( -2.797 -2.636 0.127) 3.845 3.059 ( 15.962 8.516 -1.471) 18.152 3.425 ( -16.666 -9.060 0.871) 18.990 5.504 ( 25.953 14.264 0.789) 29.625 5.620 ( 1.145 0.176 0.088) 1.161 5.937 ( -1.580 -0.874 0.030) 1.806 6.823 ( -8.113 -4.493 -1.848) 9.456 6.904 ( -14.826 -6.730 1.858) 16.388 7.439 ( 2.853 1.276 -0.988) 3.277 7.778 ( -4.399 -3.237 0.119) 5.463 9.574 ( 1.609 0.971 -0.062) 1.880 10.017 ( 1.817 1.124 -0.238) 2.150 14.670 ( -0.004 -0.211 -0.230) 0.312 15.055 ( 1.606 2.180 0.360) 2.732 15.367 ( 3.064 3.375 -0.679) 4.609 15.594 ( 1.072 0.619 -1.416) 1.881 15.719 ( -4.385 -5.334 3.044) 7.546 16.468 ( 4.798 2.236 1.104) 5.407 16.972 ( -5.504 -3.262 -0.075) 6.399 17.932 ( 0.834 0.362 -1.444) 1.706 18.541 ( 0.047 -0.657 -0.635) 0.915 18.729 ( -0.607 0.354 0.876) 1.123 18.934 ( -0.472 0.271 -0.905) 1.056 19.295 ( 0.384 0.450 -0.434) 0.733 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( -0.007 6.018 8.879) 10.726 0.452 ( -6.185 20.551 4.431) 21.914 0.859 ( 2.755 38.865 0.315) 38.964 1.623 ( 1.671 -0.891 -2.250) 2.941 1.634 ( 1.043 -0.899 0.552) 1.483 2.172 ( -0.649 -2.777 1.211) 3.098 2.219 ( 0.215 -7.428 0.220) 7.434 2.519 ( -2.135 8.496 -4.203) 9.716 2.818 ( 1.784 2.169 15.125) 15.384 4.293 ( 0.034 -2.074 0.003) 2.074 5.512 ( -0.537 0.257 0.178) 0.621 5.532 ( -0.276 2.250 0.222) 2.277 7.405 ( 0.268 -1.731 -2.192) 2.806 7.564 ( -0.162 -4.824 2.246) 5.324 8.445 ( -0.257 -5.676 0.340) 5.692 8.820 ( 0.828 -12.726 -2.092) 12.923 9.048 ( -0.044 6.832 -0.060) 6.832 9.390 ( 0.146 15.970 -17.669) 23.818 14.643 ( 2.425 2.309 1.181) 3.551 14.740 ( 1.441 -0.516 0.085) 1.533 14.810 ( -0.652 6.522 -0.369) 6.565 15.241 ( -2.290 9.234 -16.130) 18.727 15.881 ( -0.137 -1.748 -0.259) 1.772 16.492 ( -1.136 13.577 -26.594) 29.881 17.485 ( -0.006 -2.178 0.028) 2.178 18.411 ( -8.746 -17.581 5.788) 20.472 18.643 ( -0.649 -1.073 -0.220) 1.273 18.660 ( -1.241 1.405 -0.953) 2.103 18.873 ( 10.564 1.040 13.364) 17.067 19.071 ( 0.027 2.290 -0.075) 2.292 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 4.472 11.404 3.790) 12.822 0.704 ( 8.856 18.682 -0.625) 20.684 1.346 ( 13.357 19.666 0.983) 23.793 1.614 ( -1.353 -0.462 -0.715) 1.598 1.656 ( 1.430 0.044 1.899) 2.377 2.111 ( -1.766 -5.180 1.311) 5.627 2.159 ( -1.495 -1.027 1.013) 2.078 2.536 ( -0.713 -1.633 4.803) 5.123 3.060 ( 11.695 20.634 0.319) 23.720 4.247 ( -2.450 -3.649 -0.011) 4.396 5.514 ( 0.531 -0.030 0.144) 0.551 5.576 ( 2.145 3.614 -0.011) 4.203 7.374 ( -0.832 -0.764 -3.004) 3.209 7.478 ( -3.975 -7.209 2.459) 8.592 8.261 ( -7.713 -13.074 0.376) 15.185 8.875 ( -8.519 0.956 -1.922) 8.785 8.912 ( 5.436 -6.103 0.057) 8.173 9.589 ( 7.528 13.693 -6.715) 17.007 14.656 ( -0.936 -1.394 1.444) 2.215 14.795 ( 0.188 5.417 2.880) 6.138 14.936 ( 6.473 8.318 -0.010) 10.540 15.281 ( 4.521 5.991 -12.692) 14.745 15.852 ( -0.852 -1.995 -0.226) 2.181 16.513 ( 0.315 0.351 -3.059) 3.095 17.441 ( -2.005 -3.454 0.061) 3.995 18.122 ( -6.690 -10.867 -6.306) 14.234 18.615 ( -0.874 -1.863 -1.678) 2.655 18.673 ( 1.046 1.255 0.608) 1.743 19.027 ( 1.187 3.095 6.631) 7.413 19.111 ( 1.911 2.420 0.056) 3.084 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 8.702 13.717 -0.743) 16.261 1.012 ( 7.437 13.389 -0.282) 15.318 1.584 ( -1.410 0.157 0.995) 1.733 1.606 ( 5.829 0.946 0.729) 5.950 1.701 ( 0.767 2.730 2.284) 3.641 2.076 ( 0.268 0.060 0.356) 0.449 2.143 ( -3.330 4.800 1.475) 6.026 2.532 ( 2.251 -3.275 3.548) 5.327 3.615 ( 25.386 25.733 -0.592) 36.153 4.130 ( -6.196 -5.402 -0.004) 8.220 5.528 ( 1.581 -1.085 0.294) 1.940 5.673 ( 4.125 5.183 0.063) 6.624 7.312 ( -6.801 -7.280 1.109) 10.024 7.354 ( -0.603 0.287 -2.041) 2.147 7.959 ( -8.448 -21.617 0.561) 23.216 8.564 ( -25.247 9.159 -0.565) 26.863 9.080 ( 17.848 -12.933 -0.842) 22.057 9.813 ( 4.826 13.983 -2.486) 15.000 14.620 ( 0.417 -5.029 -0.169) 5.049 14.885 ( 0.476 8.960 4.054) 9.846 15.151 ( 6.939 10.444 0.042) 12.539 15.380 ( 5.957 4.292 -8.544) 11.265 15.821 ( -0.315 -1.382 0.078) 1.419 16.461 ( -3.729 -7.164 8.727) 11.891 17.348 ( -4.189 -4.997 0.109) 6.522 17.937 ( -1.903 -3.953 -10.852) 11.705 18.571 ( -0.869 -2.206 -2.009) 3.108 18.710 ( 1.559 0.536 1.116) 1.991 19.052 ( -3.363 3.656 0.963) 5.060 19.181 ( 3.426 1.314 0.408) 3.692 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 7.781 11.627 -3.487) 14.418 1.192 ( 2.504 6.471 0.377) 6.949 1.585 ( -0.256 1.375 0.480) 1.479 1.655 ( 2.268 -3.696 2.270) 4.895 1.752 ( 1.522 3.444 3.885) 5.410 2.074 ( -3.643 4.837 -2.974) 6.747 2.147 ( -4.648 5.653 4.715) 8.705 2.624 ( 9.375 2.085 -0.439) 9.614 3.919 ( -10.998 -6.698 0.574) 12.890 4.365 ( 32.924 21.994 0.306) 39.596 5.547 ( 2.588 -2.404 -0.211) 3.539 5.810 ( 5.116 5.991 0.294) 7.884 7.102 ( -8.271 -8.981 1.198) 12.268 7.373 ( 0.256 4.164 -2.042) 4.645 7.547 ( -12.813 -24.329 0.268) 27.498 8.234 ( -22.890 8.249 -0.015) 24.331 9.235 ( 15.857 -13.585 -0.889) 20.900 9.998 ( 1.756 13.403 -0.784) 13.540 14.580 ( 2.324 -7.404 -0.454) 7.773 15.017 ( 1.901 10.077 3.788) 10.932 15.327 ( 0.795 9.623 0.163) 9.657 15.482 ( 5.093 3.637 -5.716) 8.476 15.826 ( 0.879 -0.871 1.913) 2.278 16.355 ( -2.215 -7.638 7.767) 11.116 17.203 ( -6.163 -6.613 0.123) 9.040 17.887 ( 1.501 1.638 -8.093) 8.392 18.530 ( -0.119 -2.382 -2.140) 3.205 18.740 ( 0.818 0.111 1.542) 1.749 19.013 ( -4.116 2.392 -1.443) 4.974 19.242 ( 2.682 0.160 -0.222) 2.696 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 3.359 6.972 -2.518) 8.139 1.251 ( 0.338 1.795 0.510) 1.896 1.579 ( -1.312 -0.016 -0.250) 1.335 1.670 ( 2.487 -2.668 1.646) 4.002 1.865 ( 3.692 5.862 3.301) 7.674 2.033 ( -6.901 8.383 -2.089) 11.057 2.107 ( -6.571 2.392 2.689) 7.492 2.882 ( 14.464 8.540 -1.450) 16.859 3.624 ( -15.453 -7.540 1.048) 17.226 5.127 ( 33.062 15.416 0.694) 36.486 5.564 ( 2.969 -3.531 -0.822) 4.686 5.942 ( 2.719 4.109 0.845) 5.000 6.880 ( -7.746 -8.742 -0.509) 11.691 7.031 ( -15.133 -22.601 0.560) 27.205 7.482 ( 1.207 11.052 -1.282) 11.192 7.960 ( -16.633 4.708 0.708) 17.301 9.338 ( 13.109 -15.042 -0.789) 19.968 10.121 ( -1.843 11.883 -0.034) 12.026 14.553 ( 4.131 -8.833 -0.172) 9.753 15.161 ( 0.138 11.345 2.006) 11.522 15.369 ( -1.947 2.067 2.869) 4.037 15.580 ( 3.308 6.247 -5.246) 8.803 15.779 ( -5.539 -3.292 3.112) 7.156 16.379 ( 6.939 -0.354 2.223) 7.295 17.021 ( -6.413 -7.493 0.054) 9.862 17.924 ( 1.633 3.766 -3.286) 5.258 18.506 ( 1.204 -2.188 -2.096) 3.260 18.749 ( -0.615 -0.169 1.741) 1.854 18.963 ( -2.685 1.350 -1.872) 3.541 19.272 ( 1.660 -1.083 -0.296) 2.004 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -1.407 2.594 0.970) 3.106 1.268 ( 0.354 0.977 0.171) 1.053 1.556 ( -0.446 -0.903 -0.156) 1.019 1.692 ( 1.758 -1.458 0.069) 2.285 1.933 ( -3.951 -1.642 -0.549) 4.314 2.002 ( -7.811 12.159 -0.686) 14.468 2.052 ( -0.788 6.285 0.074) 6.334 3.233 ( 12.843 7.396 -0.637) 14.834 3.276 ( -14.036 -4.601 1.095) 14.812 5.564 ( 1.644 -4.813 -1.306) 5.251 5.639 ( 5.819 -3.192 0.381) 6.648 5.929 ( -1.984 0.815 0.867) 2.313 6.673 ( 3.823 -6.689 -0.622) 7.730 6.789 ( 0.847 -5.508 -0.179) 5.576 7.582 ( -6.360 11.611 0.127) 13.239 7.820 ( -2.843 6.700 0.937) 7.338 9.374 ( 9.916 -16.948 -0.625) 19.645 10.164 ( -5.696 9.749 0.367) 11.297 14.547 ( 5.436 -9.039 0.175) 10.549 15.201 ( -8.270 7.936 -0.807) 11.490 15.367 ( 0.738 -3.863 6.546) 7.636 15.642 ( -2.965 4.030 -1.950) 5.370 15.712 ( 1.398 5.942 -3.217) 6.900 16.480 ( 0.953 -1.645 -0.099) 1.904 16.905 ( 2.132 -3.272 0.072) 3.906 17.962 ( -0.663 3.144 -0.026) 3.213 18.513 ( 2.562 -1.284 -1.810) 3.389 18.732 ( -1.491 -0.731 1.176) 2.035 18.942 ( -0.627 1.133 -0.408) 1.358 19.279 ( 1.016 -2.018 0.342) 2.286 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -6.540 -0.953 3.556) 7.505 1.284 ( -1.262 2.731 0.220) 3.017 1.551 ( 1.214 -0.963 -0.550) 1.644 1.696 ( 0.132 -1.966 0.351) 2.002 1.770 ( -7.814 -2.821 -3.869) 9.165 2.009 ( -4.655 10.299 0.705) 11.324 2.127 ( -0.271 7.831 -2.830) 8.331 2.917 ( -15.092 -7.632 0.819) 16.932 3.604 ( 15.129 9.046 0.101) 17.627 5.149 ( -30.691 -19.233 -1.116) 36.237 5.566 ( 1.212 -3.828 -1.206) 4.192 5.945 ( -4.552 -0.407 0.718) 4.626 6.858 ( 9.451 0.239 -0.401) 9.462 6.985 ( 28.174 1.718 0.413) 28.229 7.503 ( -8.408 4.102 1.023) 9.411 7.991 ( 4.189 18.157 0.657) 18.645 9.337 ( 6.712 -18.984 -0.495) 20.142 10.122 ( -9.245 7.297 0.705) 11.799 14.561 ( 5.896 -8.013 0.341) 9.954 15.065 ( -9.274 -1.959 1.471) 9.593 15.364 ( -4.099 4.609 2.236) 6.561 15.617 ( -2.532 1.202 0.961) 2.963 15.815 ( 2.277 6.770 -5.216) 8.844 16.383 ( -3.744 -4.333 -2.934) 6.434 17.025 ( 9.531 2.046 -0.017) 9.748 17.969 ( -1.464 2.285 1.899) 3.312 18.547 ( 2.723 -0.138 -1.312) 3.025 18.703 ( -0.719 -1.553 0.312) 1.740 18.953 ( -0.049 1.307 1.808) 2.231 19.270 ( 0.166 -2.638 1.033) 2.838 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -13.431 -2.361 3.326) 14.036 1.248 ( -7.488 2.917 -0.133) 8.037 1.568 ( 2.542 -2.210 -0.899) 3.486 1.598 ( -4.513 -1.367 -1.312) 4.895 1.707 ( 0.056 -0.599 -1.410) 1.533 2.039 ( -1.926 4.860 2.777) 5.919 2.152 ( -4.053 7.911 -4.666) 10.039 2.647 ( -7.818 -6.429 -0.587) 10.139 3.913 ( 12.162 5.721 0.647) 13.456 4.379 ( -36.715 -16.773 -0.920) 40.375 5.546 ( 0.685 -2.399 -1.582) 2.954 5.816 ( -8.020 -1.862 0.578) 8.254 7.054 ( 11.672 1.459 0.551) 11.776 7.415 ( -0.832 2.592 1.105) 2.938 7.514 ( 26.276 -1.371 -0.146) 26.312 8.273 ( 3.867 24.358 0.572) 24.670 9.230 ( 4.078 -20.878 -0.383) 21.276 10.004 ( -11.856 4.803 1.095) 12.839 14.588 ( 5.170 -6.286 0.198) 8.141 14.907 ( -7.470 -2.115 3.520) 8.524 15.310 ( -8.933 4.501 -0.379) 10.010 15.572 ( -4.196 -0.001 1.357) 4.410 15.834 ( -1.169 0.077 -1.690) 2.057 16.346 ( 4.052 1.333 -7.921) 8.997 17.205 ( 8.590 2.173 -0.173) 8.862 17.998 ( 1.433 2.854 2.301) 3.936 18.585 ( 2.104 0.475 -1.094) 2.419 18.681 ( 0.147 -2.148 -0.122) 2.157 18.972 ( -0.991 1.187 4.000) 4.288 19.237 ( -1.437 -2.918 1.092) 3.431 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -17.009 -1.589 1.184) 17.124 1.064 ( -15.728 1.070 -2.218) 15.920 1.550 ( -0.658 -0.649 -1.286) 1.584 1.587 ( 0.392 -0.548 1.718) 1.845 1.668 ( -4.217 -2.013 0.680) 4.722 2.047 ( -0.014 -0.786 2.306) 2.436 2.137 ( -2.623 5.985 -2.372) 6.952 2.530 ( -0.568 -2.402 -3.274) 4.100 3.621 ( -35.390 -9.550 0.400) 36.658 4.128 ( 8.227 2.272 0.594) 8.555 5.531 ( 0.168 -0.710 -1.645) 1.799 5.673 ( -6.761 -1.281 0.406) 6.894 7.262 ( 10.020 1.022 2.428) 10.361 7.407 ( 0.146 1.492 -1.625) 2.211 7.941 ( 23.625 -3.066 0.444) 23.827 8.594 ( 3.940 26.483 0.408) 26.778 9.071 ( 2.623 -22.379 -0.173) 22.533 9.832 ( -12.895 2.364 1.414) 13.186 14.611 ( 3.217 -3.617 0.485) 4.864 14.809 ( -4.895 -0.249 4.618) 6.734 15.142 ( -12.484 0.600 -0.927) 12.532 15.487 ( -5.673 -0.592 0.188) 5.707 15.824 ( 1.096 -0.239 -0.133) 1.129 16.436 ( 7.242 2.066 -7.128) 10.369 17.348 ( 6.324 1.165 -0.132) 6.432 18.096 ( 6.113 3.057 -1.580) 7.015 18.616 ( 1.786 0.315 -1.785) 2.544 18.665 ( 0.083 -1.665 0.754) 1.830 18.967 ( -3.468 0.602 6.465) 7.361 19.176 ( -2.931 -2.247 0.519) 3.730 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( -14.139 0.335 -0.059) 14.143 0.736 ( -20.664 -0.063 -4.342) 21.115 1.335 ( -25.281 0.151 1.121) 25.306 1.610 ( 1.395 -0.503 1.048) 1.816 1.623 ( 0.594 0.245 2.797) 2.870 2.099 ( 5.994 -0.485 0.631) 6.046 2.154 ( 1.142 0.694 -0.495) 1.425 2.521 ( 1.764 0.008 -2.758) 3.273 3.048 ( -26.198 -0.101 1.476) 26.240 4.246 ( 4.507 -0.009 0.125) 4.509 5.520 ( -0.391 -0.183 -1.054) 1.139 5.575 ( -4.175 0.194 0.196) 4.185 7.389 ( 2.299 0.123 1.562) 2.782 7.465 ( 6.976 -0.118 -1.395) 7.116 8.258 ( 15.496 0.276 0.116) 15.499 8.887 ( 3.817 -11.837 0.088) 12.438 8.911 ( 2.408 11.734 0.208) 11.980 9.635 ( -11.792 -0.149 0.376) 11.799 14.635 ( 0.638 0.798 1.788) 2.059 14.760 ( -2.322 -1.356 2.505) 3.675 14.938 ( -10.629 0.586 -0.340) 10.651 15.383 ( -5.246 -0.082 -2.144) 5.668 15.854 ( 2.179 -0.070 -0.084) 2.182 16.553 ( 7.248 0.073 -2.521) 7.674 17.441 ( 3.984 0.006 -0.030) 3.984 18.226 ( 9.377 0.013 -8.676) 12.775 18.636 ( 1.564 -0.673 -1.564) 2.312 18.661 ( -0.446 0.805 0.972) 1.339 18.917 ( -6.603 0.041 9.519) 11.585 19.111 ( -3.096 -0.163 0.056) 3.101 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( -4.029 11.499 4.061) 12.844 0.809 ( -8.258 17.955 6.767) 20.890 1.316 ( -14.425 21.385 -1.542) 25.841 1.576 ( 0.428 -1.392 -4.183) 4.429 1.611 ( 0.236 -1.137 0.599) 1.306 2.096 ( 2.838 -6.933 0.172) 7.493 2.172 ( 1.199 -0.036 2.127) 2.442 2.597 ( 0.609 -1.368 8.263) 8.397 3.026 ( -12.516 21.713 -1.836) 25.129 4.244 ( 2.558 -3.863 -0.215) 4.638 5.538 ( -1.206 -0.025 1.693) 2.079 5.571 ( -1.505 3.694 -0.378) 4.006 7.351 ( 2.111 -2.898 -3.579) 5.066 7.497 ( 2.798 -5.235 2.735) 6.535 8.259 ( 8.393 -13.264 0.192) 15.697 8.872 ( -3.924 -5.712 -2.170) 7.262 8.907 ( 6.502 1.165 -0.266) 6.611 9.582 ( -7.576 13.147 -6.968) 16.697 14.615 ( 1.094 0.956 -1.134) 1.843 14.733 ( -0.412 0.206 -1.699) 1.760 14.944 ( -5.608 9.264 0.538) 10.842 15.343 ( -4.605 6.550 -7.007) 10.639 15.854 ( 0.845 -2.130 -0.013) 2.291 16.562 ( -1.690 2.845 -1.205) 3.521 17.442 ( 1.970 -3.389 0.115) 3.921 18.282 ( 7.046 -10.809 -1.318) 12.970 18.655 ( -0.062 -1.331 1.118) 1.739 18.669 ( 0.240 -1.164 3.078) 3.299 18.825 ( -1.541 4.049 -3.845) 5.792 19.109 ( -1.687 2.377 -0.278) 2.928 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -0.349 13.069 4.572) 13.850 0.865 ( -4.934 17.100 4.877) 18.454 1.419 ( 0.881 16.259 -1.309) 16.336 1.576 ( 3.042 -0.880 -4.143) 5.215 1.637 ( 1.806 1.317 1.756) 2.842 2.052 ( 1.008 -6.628 -0.004) 6.704 2.164 ( -1.116 -1.794 2.793) 3.502 2.597 ( -2.676 -1.516 7.299) 7.920 3.192 ( 1.332 30.717 -1.797) 30.798 4.222 ( 0.217 -5.611 0.157) 5.618 5.522 ( -1.070 0.407 0.682) 1.333 5.599 ( 0.140 4.695 -0.305) 4.707 7.342 ( 1.634 -2.268 -3.272) 4.303 7.455 ( -1.385 -7.862 2.420) 8.342 8.315 ( -0.665 -7.828 0.762) 7.893 8.474 ( 1.392 -20.956 -0.900) 21.021 9.206 ( -0.748 8.824 -0.093) 8.856 9.576 ( 0.833 13.032 -6.626) 14.643 14.706 ( -2.881 1.165 0.839) 3.219 14.745 ( 9.110 2.645 0.914) 9.531 14.975 ( -0.901 9.870 -0.429) 9.921 15.300 ( -3.590 7.653 -9.497) 12.714 15.840 ( -0.053 -1.827 -0.073) 1.829 16.553 ( -2.827 2.366 3.338) 4.973 17.420 ( -0.060 -4.559 0.132) 4.561 18.105 ( -6.556 -12.270 -6.883) 15.521 18.601 ( -1.050 -2.373 -0.944) 2.762 18.695 ( -0.651 1.761 0.869) 2.069 18.956 ( 8.495 0.998 1.962) 8.775 19.130 ( 0.428 3.662 -0.740) 3.761 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 3.928 15.359 1.229) 15.901 1.055 ( 4.605 15.121 1.444) 15.872 1.537 ( 2.889 0.968 0.670) 3.120 1.596 ( 1.273 0.359 -1.822) 2.252 1.704 ( 2.153 1.647 2.326) 3.572 2.044 ( 3.347 -1.375 -1.136) 3.793 2.168 ( 2.625 0.045 2.921) 3.928 2.551 ( -4.218 -0.196 4.731) 6.341 3.612 ( 9.784 35.069 -1.115) 36.425 4.141 ( -2.292 -7.643 0.328) 7.986 5.512 ( -0.610 -0.291 0.202) 0.706 5.675 ( 2.422 6.488 -0.170) 6.927 7.313 ( -2.716 -9.843 1.044) 10.264 7.355 ( -0.075 0.302 -1.962) 1.986 7.962 ( -14.425 -18.490 1.027) 23.474 8.588 ( 20.434 -16.173 -0.831) 26.072 9.061 ( -20.892 9.017 -0.477) 22.760 9.808 ( 9.536 12.189 -2.851) 15.736 14.628 ( -5.115 -2.036 0.538) 5.532 14.937 ( 5.722 5.435 4.501) 9.085 15.128 ( 7.078 10.311 -0.203) 12.508 15.320 ( 2.172 7.899 -10.044) 12.961 15.818 ( -0.885 -0.896 -0.131) 1.267 16.514 ( -4.831 -4.796 10.980) 12.919 17.350 ( -2.304 -5.971 0.227) 6.404 17.893 ( -3.070 -3.838 -11.513) 12.518 18.554 ( -0.968 -2.687 -1.929) 3.447 18.711 ( 0.110 1.674 1.085) 1.998 19.069 ( 4.226 -1.242 0.853) 4.487 19.167 ( 0.071 3.204 -1.082) 3.382 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 5.363 14.393 -2.156) 15.510 1.236 ( 1.642 7.937 0.476) 8.119 1.568 ( 2.564 -2.819 1.517) 4.101 1.617 ( 0.169 0.603 -0.656) 0.907 1.759 ( 2.298 1.131 4.396) 5.088 2.087 ( 1.306 0.970 -1.128) 1.980 2.323 ( 7.426 10.261 1.822) 12.797 2.510 ( -1.291 0.711 1.664) 2.223 3.996 ( -5.561 -8.751 0.601) 10.386 4.170 ( 17.725 30.484 -0.285) 35.264 5.496 ( 0.073 -1.879 -0.270) 1.899 5.800 ( 3.990 7.317 0.142) 8.336 7.126 ( -6.021 -11.550 1.241) 13.084 7.404 ( 2.059 5.795 -1.924) 6.444 7.521 ( -13.348 -23.804 0.953) 27.308 8.701 ( -8.914 -1.823 -0.880) 9.141 8.810 ( 3.149 -6.353 -0.198) 7.093 10.055 ( 6.272 11.641 -0.976) 13.259 14.520 ( -3.216 -4.858 -0.140) 5.828 15.084 ( 2.561 6.859 5.626) 9.233 15.370 ( 8.015 10.777 -1.697) 13.537 15.426 ( 4.234 7.071 -5.295) 9.796 15.801 ( 0.449 -0.279 -0.385) 0.654 16.387 ( -6.645 -8.881 10.958) 15.592 17.225 ( -4.683 -7.691 0.348) 9.011 17.841 ( 2.051 3.478 -9.799) 10.599 18.501 ( -0.773 -3.108 -1.997) 3.775 18.737 ( 0.627 1.162 1.205) 1.788 19.079 ( -1.545 -0.299 -2.057) 2.590 19.196 ( 1.760 0.369 -0.281) 1.820 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 3.228 10.381 -2.534) 11.163 1.282 ( -1.161 1.994 0.579) 2.379 1.592 ( 1.044 -4.417 1.789) 4.879 1.601 ( 0.861 0.251 -1.206) 1.503 1.861 ( 3.933 4.025 3.972) 6.889 2.087 ( -1.202 -0.740 -0.152) 1.420 2.431 ( -10.429 17.589 0.592) 20.457 2.698 ( 16.573 6.682 -0.303) 17.872 3.781 ( -10.381 -8.334 1.135) 13.361 4.788 ( 24.704 20.938 0.022) 32.384 5.480 ( 1.444 -3.421 -0.777) 3.793 5.939 ( 3.716 6.008 0.667) 7.095 6.910 ( -6.667 -10.681 0.425) 12.598 7.035 ( -14.306 -25.184 0.519) 28.968 7.544 ( 4.339 11.642 -1.014) 12.465 8.384 ( -23.939 6.442 0.376) 24.793 8.913 ( 16.285 -17.498 -0.875) 23.920 10.234 ( 2.177 10.463 -0.159) 10.688 14.433 ( -0.042 -6.742 -0.219) 6.746 15.219 ( 3.161 6.185 5.397) 8.796 15.485 ( -3.568 3.200 0.019) 4.793 15.565 ( 4.622 10.275 -4.399) 12.095 15.829 ( 0.418 0.191 1.077) 1.171 16.288 ( 1.445 -3.304 4.662) 5.894 17.046 ( -6.382 -9.424 0.341) 11.387 17.916 ( 3.395 6.630 -4.561) 8.734 18.454 ( 0.261 -3.630 -2.052) 4.178 18.760 ( 0.199 0.611 1.477) 1.611 19.021 ( -3.402 0.491 -2.930) 4.517 19.221 ( 2.054 -2.020 -0.276) 2.894 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.422 5.802 0.512) 5.840 1.276 ( -0.281 0.872 -0.211) 0.940 1.549 ( -0.815 -3.032 -0.323) 3.156 1.634 ( 2.847 -1.569 -0.016) 3.251 1.966 ( 1.478 2.763 1.038) 3.301 2.034 ( -2.335 -2.057 0.352) 3.132 2.428 ( -12.489 21.892 -0.572) 25.210 3.060 ( 15.888 9.178 -0.393) 18.352 3.493 ( -14.967 -6.679 1.216) 16.435 5.375 ( 23.376 9.878 0.177) 25.378 5.472 ( 2.416 -4.229 -1.131) 5.000 5.986 ( -3.523 -2.543 1.162) 4.497 6.607 ( -7.426 -14.573 -0.266) 16.358 6.733 ( -2.774 -8.831 -0.236) 9.259 7.767 ( 4.147 18.057 -0.255) 18.529 8.062 ( -19.372 4.272 1.038) 19.865 8.983 ( 13.657 -19.735 -0.807) 24.013 10.328 ( -2.150 8.514 0.190) 8.784 14.389 ( 2.913 -7.136 -0.032) 7.708 15.343 ( 1.434 -1.849 7.593) 7.945 15.388 ( -6.264 3.602 -1.700) 7.424 15.706 ( 2.474 9.082 -4.183) 10.300 15.789 ( -5.193 3.683 0.297) 6.374 16.408 ( 7.236 2.304 0.775) 7.633 16.852 ( -3.656 -9.599 0.203) 10.274 18.011 ( 0.549 6.536 -0.708) 6.597 18.430 ( 2.678 -3.672 -2.391) 5.136 18.761 ( -1.359 -0.269 1.646) 2.151 18.972 ( -1.785 1.583 -1.825) 3.003 19.226 ( 1.948 -3.395 -0.052) 3.914 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -4.190 1.429 2.846) 5.263 1.308 ( 1.310 3.091 0.120) 3.360 1.509 ( 0.388 -3.452 -1.574) 3.814 1.662 ( 2.089 -1.162 -0.139) 2.394 1.882 ( -8.400 -2.060 0.328) 8.655 2.056 ( 2.095 1.079 -0.679) 2.452 2.430 ( -12.402 22.480 -1.428) 25.714 3.112 ( -15.571 -9.101 0.367) 18.040 3.445 ( 13.293 9.084 0.321) 16.104 5.395 ( -15.506 -11.757 -1.135) 19.492 5.499 ( -0.957 -5.434 -0.452) 5.536 5.963 ( 4.861 0.911 0.345) 4.958 6.597 ( 14.979 -1.612 0.894) 15.092 6.705 ( 6.736 -2.364 -0.609) 7.164 7.760 ( -16.002 4.842 0.830) 16.739 8.096 ( 6.473 20.151 0.501) 21.171 8.980 ( 10.437 -21.849 -0.724) 24.224 10.328 ( -6.332 5.927 0.367) 8.681 14.393 ( 5.089 -5.973 0.103) 7.848 15.185 ( -8.404 -5.951 3.256) 10.800 15.466 ( 1.031 5.180 2.116) 5.689 15.713 ( -5.569 5.074 -0.223) 7.537 15.836 ( 1.348 7.969 -4.844) 9.423 16.404 ( -5.735 -4.950 -1.057) 7.649 16.859 ( 10.301 -1.251 -0.105) 10.377 18.041 ( -2.785 4.090 0.596) 4.983 18.457 ( 4.827 -2.207 -2.544) 5.886 18.728 ( -2.267 -0.864 1.674) 2.948 18.979 ( 0.050 2.620 0.619) 2.693 19.224 ( 1.853 -3.840 0.501) 4.293 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -8.332 0.866 2.675) 8.794 1.343 ( -1.642 1.574 0.589) 2.350 1.488 ( 2.245 -2.727 -1.889) 4.006 1.680 ( 1.150 -0.822 -0.257) 1.437 1.713 ( -8.676 -0.556 0.727) 8.724 2.084 ( 0.355 0.551 0.102) 0.663 2.429 ( -11.597 19.297 -2.279) 22.629 2.740 ( -14.285 -11.516 -0.455) 18.355 3.748 ( 13.357 4.294 0.725) 14.049 4.820 ( -31.457 -10.585 -1.235) 33.213 5.493 ( 2.028 -1.740 -1.085) 2.884 5.935 ( -6.542 -0.908 0.385) 6.616 6.865 ( 11.687 0.528 0.637) 11.716 7.003 ( 28.602 0.261 0.744) 28.613 7.568 ( -10.256 1.573 0.405) 10.383 8.431 ( 6.342 24.120 0.231) 24.941 8.905 ( 7.276 -23.381 -0.698) 24.497 10.235 ( -9.805 2.949 0.493) 10.251 14.441 ( 5.918 -3.546 0.055) 6.899 15.022 ( -7.184 -3.133 4.673) 9.125 15.498 ( -4.182 3.901 0.962) 5.800 15.659 ( -5.972 3.729 -0.873) 7.095 15.855 ( -2.289 -0.097 -2.231) 3.198 16.275 ( -0.593 -1.932 -5.332) 5.702 17.052 ( 11.023 0.863 -0.434) 11.065 18.026 ( -1.814 1.883 -0.175) 2.621 18.512 ( 4.305 -0.892 -2.484) 5.049 18.694 ( -1.666 -0.557 2.318) 2.909 19.016 ( 0.084 2.550 2.971) 3.916 19.216 ( 0.874 -3.239 0.709) 3.429 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -15.593 1.209 0.356) 15.644 1.258 ( -7.718 -1.759 -1.564) 8.069 1.522 ( 2.310 0.559 0.943) 2.557 1.619 ( -2.734 0.544 0.445) 2.823 1.684 ( -0.184 -0.851 1.482) 1.718 2.077 ( -1.754 -0.313 1.551) 2.363 2.314 ( -13.293 1.364 -1.251) 13.421 2.519 ( -2.578 -0.042 -2.234) 3.412 3.977 ( 10.682 -0.434 0.658) 10.711 4.184 ( -35.401 -0.218 -0.615) 35.407 5.511 ( 1.149 0.469 -0.919) 1.544 5.796 ( -8.177 -0.381 0.265) 8.190 7.084 ( 12.340 0.414 1.684) 12.461 7.445 ( -3.706 -0.923 -0.982) 3.943 7.497 ( 26.617 1.229 0.763) 26.657 8.722 ( 6.213 -8.373 -0.536) 10.440 8.817 ( 3.863 8.235 -0.237) 9.099 10.063 ( -12.098 -0.178 0.458) 12.108 14.520 ( 5.362 -0.007 0.074) 5.363 14.918 ( -5.992 -0.581 5.982) 8.487 15.377 ( -12.476 0.628 -0.339) 12.497 15.571 ( -5.637 0.143 -1.814) 5.923 15.808 ( -0.159 -1.468 0.303) 1.507 16.301 ( 5.689 1.032 -6.577) 8.757 17.225 ( 8.816 0.109 -0.356) 8.823 18.028 ( 1.733 0.172 -3.422) 3.839 18.559 ( 3.015 -0.235 -2.091) 3.676 18.682 ( -0.885 0.339 2.698) 2.860 19.043 ( -1.120 0.551 4.755) 4.916 19.196 ( -1.007 -0.857 0.460) 1.401 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -17.584 2.349 -1.189) 17.780 1.033 ( -15.330 -0.749 -2.916) 15.623 1.558 ( 0.600 -0.427 2.535) 2.640 1.608 ( -2.527 2.670 -0.693) 3.741 1.664 ( -2.244 -0.398 3.568) 4.234 2.052 ( -0.475 -0.287 2.795) 2.849 2.147 ( -2.684 -4.879 -1.628) 5.802 2.513 ( -0.715 3.509 -0.759) 3.661 3.618 ( -34.567 8.982 0.146) 35.715 4.131 ( 8.008 -2.316 0.004) 8.336 5.526 ( -0.179 1.198 -0.110) 1.216 5.673 ( -6.481 1.052 0.092) 6.567 7.289 ( 10.804 -0.989 2.157) 11.061 7.383 ( -0.807 -1.572 -2.303) 2.902 7.953 ( 23.274 3.893 0.384) 23.601 8.571 ( 4.629 -26.609 -0.524) 27.013 9.088 ( 2.189 21.979 -0.359) 22.091 9.833 ( -12.904 -2.733 -0.484) 13.199 14.621 ( 4.028 3.823 0.020) 5.553 14.831 ( -6.307 -1.905 4.223) 7.826 15.150 ( -12.702 0.369 0.015) 12.707 15.466 ( -5.458 0.758 -3.835) 6.713 15.818 ( 1.597 -0.213 0.318) 1.643 16.407 ( 7.934 -0.530 -0.966) 8.010 17.348 ( 6.351 -1.102 -0.107) 6.447 18.057 ( 5.196 -1.150 -7.410) 9.123 18.594 ( 2.136 0.055 -1.471) 2.594 18.689 ( -0.592 1.166 2.002) 2.391 19.018 ( -2.971 -2.562 4.398) 5.893 19.174 ( -2.743 2.150 0.657) 3.547 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -7.759 13.520 -0.358) 15.593 1.104 ( -4.479 14.059 3.868) 15.254 1.556 ( -2.680 -1.287 -0.808) 3.081 1.568 ( -1.316 0.065 -1.069) 1.697 1.669 ( -5.238 3.830 1.126) 6.586 2.017 ( 0.730 -1.090 -1.930) 2.334 2.178 ( 1.827 4.789 3.684) 6.312 2.588 ( 0.354 -1.753 5.396) 5.685 3.614 ( -27.059 26.819 -0.740) 38.105 4.121 ( 6.272 -5.986 -0.467) 8.683 5.554 ( -0.516 -0.737 1.796) 2.008 5.666 ( -4.510 5.153 -0.592) 6.873 7.234 ( 4.672 -6.996 -1.934) 8.632 7.421 ( 2.792 -0.584 0.547) 2.904 7.939 ( 9.262 -21.973 0.162) 23.846 8.586 ( 24.650 9.839 -0.956) 26.559 9.071 ( -18.282 -13.110 -0.116) 22.497 9.802 ( -5.138 13.589 -3.069) 14.849 14.609 ( -1.853 -4.496 0.175) 4.866 14.760 ( -2.736 3.459 -2.873) 5.263 15.155 ( -5.803 11.154 1.088) 12.621 15.452 ( -3.890 5.605 -4.477) 8.160 15.824 ( 0.024 -1.422 -0.146) 1.430 16.568 ( 4.620 -1.750 12.477) 13.420 17.351 ( 4.189 -4.757 0.271) 6.344 18.052 ( 7.535 -3.063 -8.443) 11.724 18.618 ( 2.600 0.504 -0.546) 2.704 18.690 ( -2.430 -3.674 3.718) 5.764 18.885 ( -3.311 1.925 -5.881) 7.018 19.166 ( -2.995 1.195 -1.004) 3.377 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -3.708 15.672 1.077) 16.140 1.156 ( -6.895 10.777 6.172) 14.205 1.507 ( -0.051 -0.018 -2.381) 2.381 1.548 ( -2.810 3.152 -3.409) 5.427 1.652 ( -0.635 2.712 2.314) 3.621 1.995 ( -0.743 -1.999 -1.227) 2.460 2.209 ( -3.523 1.747 2.815) 4.836 2.616 ( 1.524 -1.591 5.682) 6.094 3.602 ( -10.189 36.555 -0.772) 37.956 4.130 ( 2.828 -7.907 -0.008) 8.398 5.546 ( -0.479 -0.477 1.228) 1.402 5.663 ( -2.035 6.252 -0.676) 6.609 7.235 ( 4.312 -6.948 -1.695) 8.351 7.422 ( -0.939 -2.909 0.440) 3.088 7.951 ( 15.345 -18.598 0.236) 24.113 8.578 ( -20.467 -15.957 0.047) 25.952 9.081 ( 20.512 9.820 -0.857) 22.758 9.790 ( -9.434 11.943 -3.120) 15.537 14.622 ( 6.101 -0.907 0.243) 6.173 14.760 ( -0.548 4.697 -0.704) 4.781 15.154 ( -7.739 10.596 0.252) 13.123 15.413 ( -4.698 5.875 -5.261) 9.180 15.816 ( 1.013 -1.263 0.189) 1.631 16.634 ( -0.953 -1.890 12.587) 12.764 17.354 ( 2.060 -5.686 0.316) 6.056 18.019 ( -0.427 -8.052 -11.497) 14.042 18.602 ( -2.431 -3.638 0.740) 4.438 18.698 ( 3.181 0.384 2.819) 4.268 18.875 ( 1.855 4.152 -5.098) 6.832 19.154 ( -0.079 2.410 -0.944) 2.590 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.448 16.265 0.039) 16.271 1.180 ( -3.192 10.129 4.907) 11.700 1.529 ( -0.332 0.405 -2.261) 2.321 1.533 ( 3.652 0.192 -1.339) 3.894 1.690 ( 1.633 0.241 2.376) 2.893 1.963 ( 1.229 -2.335 -1.157) 2.881 2.171 ( -1.899 -0.734 3.454) 4.009 2.637 ( -1.652 2.534 3.147) 4.365 3.919 ( -0.067 41.822 -0.336) 41.823 4.064 ( 0.466 -10.989 0.418) 11.007 5.537 ( -1.272 0.593 0.453) 1.474 5.716 ( 0.606 7.472 -0.438) 7.509 7.216 ( 2.492 -10.011 -0.128) 10.318 7.362 ( -1.983 -0.649 -1.171) 2.392 7.997 ( 0.483 -26.861 -0.014) 26.865 8.155 ( 0.090 -9.116 0.854) 9.156 9.378 ( -1.412 8.383 0.117) 8.502 9.772 ( 1.279 10.648 -2.750) 11.072 14.700 ( -0.745 -0.681 -0.181) 1.026 14.860 ( 7.106 6.125 2.543) 9.720 15.147 ( -0.565 7.324 -0.947) 7.407 15.382 ( -3.299 7.306 -5.714) 9.844 15.829 ( 0.008 0.719 1.163) 1.368 16.606 ( -4.742 -5.561 13.437) 15.296 17.312 ( -0.263 -6.543 0.416) 6.562 17.863 ( -3.025 -2.561 -12.669) 13.274 18.539 ( -1.413 -2.978 -1.146) 3.490 18.736 ( -0.057 1.150 1.717) 2.068 18.959 ( 5.857 -0.264 -2.026) 6.203 19.185 ( 0.786 2.706 -1.778) 3.332 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 2.449 14.943 -2.056) 15.281 1.281 ( 1.638 6.248 2.084) 6.787 1.516 ( 0.613 -2.350 1.008) 2.629 1.597 ( 2.786 0.547 -2.295) 3.651 1.741 ( 2.904 1.080 4.499) 5.463 2.019 ( 7.414 -0.244 -2.343) 7.779 2.185 ( 4.958 -2.403 4.356) 7.024 2.655 ( -3.358 9.231 0.899) 9.864 3.939 ( -0.973 -12.914 0.286) 12.954 4.356 ( 3.271 39.341 0.097) 39.477 5.511 ( -2.417 0.204 0.076) 2.426 5.820 ( 2.502 8.129 -0.154) 8.507 7.091 ( -3.236 -12.854 0.707) 13.274 7.390 ( 3.444 4.299 -1.915) 5.832 7.547 ( -14.992 -24.192 1.310) 28.491 8.275 ( 17.923 -14.861 -0.489) 23.288 9.224 ( -20.781 7.544 0.201) 22.109 10.003 ( 10.708 9.063 -1.123) 14.074 14.591 ( -8.260 -1.859 -0.152) 8.468 15.080 ( 8.513 5.244 3.861) 10.719 15.298 ( 8.678 7.747 -0.764) 11.658 15.411 ( 1.645 6.761 -4.909) 8.515 15.826 ( -2.093 0.880 1.260) 2.597 16.480 ( -7.581 -7.894 10.804) 15.379 17.217 ( -3.054 -7.816 0.751) 8.425 17.811 ( 1.303 4.971 -9.659) 10.941 18.480 ( -1.301 -3.251 -1.595) 3.848 18.752 ( -0.082 1.339 1.348) 1.902 19.021 ( 3.922 -2.508 -2.190) 5.145 19.202 ( -0.459 1.533 -2.039) 2.592 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 2.607 11.591 -2.731) 12.191 1.323 ( -1.388 1.080 0.771) 1.920 1.517 ( 1.999 -3.778 2.204) 4.809 1.599 ( -0.294 -0.809 -2.547) 2.689 1.851 ( 3.766 4.014 4.133) 6.883 2.084 ( 0.889 -0.633 -0.359) 1.149 2.411 ( 19.685 -0.368 1.589) 19.752 2.733 ( -3.033 18.055 0.206) 18.309 3.785 ( -2.227 -13.372 0.706) 13.574 4.784 ( 6.180 31.632 -0.228) 32.231 5.464 ( -2.395 -0.948 -0.152) 2.580 5.943 ( 3.029 6.239 0.165) 6.937 6.894 ( -4.928 -12.623 0.252) 13.554 7.050 ( -15.050 -23.822 1.163) 28.202 7.552 ( 6.946 10.326 -0.938) 12.480 8.413 ( 16.578 -17.003 -0.889) 23.764 8.902 ( -24.088 5.850 0.574) 24.795 10.240 ( 7.440 7.573 -0.295) 10.620 14.434 ( -6.142 -3.514 -0.275) 7.081 15.249 ( 3.215 5.544 4.682) 7.937 15.484 ( 4.243 4.755 -4.848) 8.007 15.560 ( 8.441 5.840 1.451) 10.366 15.798 ( 0.143 -1.002 0.251) 1.043 16.335 ( -6.059 -1.722 5.414) 8.306 17.060 ( -5.839 -9.236 0.900) 10.963 17.902 ( 4.407 8.114 -4.442) 10.247 18.417 ( -1.218 -3.912 -1.431) 4.340 18.771 ( 0.173 0.934 1.212) 1.540 19.026 ( 0.852 -2.012 -3.353) 4.002 19.188 ( -0.576 -0.771 -1.235) 1.566 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.650 8.392 -0.264) 8.421 1.290 ( -1.576 -0.876 -0.741) 1.950 1.509 ( 0.775 -5.262 1.480) 5.521 1.586 ( 1.110 -0.254 -1.670) 2.022 1.953 ( 3.008 2.660 0.676) 4.072 2.063 ( -2.040 -1.631 1.342) 2.936 2.721 ( 7.657 10.130 -0.346) 12.703 2.914 ( 5.431 14.594 0.400) 15.577 3.604 ( -5.813 -10.605 1.089) 12.143 5.194 ( 12.354 20.780 -0.480) 24.180 5.421 ( -0.748 -1.748 -0.374) 1.938 6.000 ( -1.147 -3.243 0.787) 3.529 6.612 ( -9.875 -14.994 0.333) 17.956 6.708 ( -5.040 -9.672 -0.020) 10.907 7.818 ( 8.930 16.349 -0.223) 18.631 8.439 ( -6.204 -6.643 0.005) 9.089 8.597 ( -3.526 -8.587 -0.040) 9.282 10.393 ( 2.874 5.616 0.035) 6.309 14.325 ( -2.118 -3.865 -0.141) 4.409 15.353 ( 1.286 2.717 5.611) 6.366 15.462 ( -3.958 -3.632 -3.322) 6.316 15.724 ( 3.814 7.530 -0.195) 8.443 15.856 ( 3.122 1.505 -0.322) 3.481 16.348 ( 3.519 6.705 1.390) 7.699 16.850 ( -7.615 -10.520 0.875) 13.016 18.051 ( 3.784 8.794 -0.662) 9.596 18.352 ( -0.190 -5.164 -1.560) 5.397 18.779 ( -0.411 -0.199 0.954) 1.058 19.002 ( -0.682 0.694 -2.712) 2.882 19.163 ( 0.651 -3.411 -0.574) 3.519 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -3.721 0.647 2.005) 4.276 1.313 ( 2.247 4.607 -0.989) 5.220 1.461 ( -0.206 -4.900 -0.739) 4.959 1.611 ( 2.362 -0.703 -0.276) 2.480 1.993 ( -4.647 -1.828 1.728) 5.285 2.017 ( 2.013 1.687 -1.192) 2.884 2.832 ( -9.885 18.072 -0.772) 20.613 3.126 ( 6.857 -4.980 0.149) 8.476 3.424 ( -4.486 -0.299 0.694) 4.549 5.404 ( 0.826 -1.412 -0.455) 1.697 5.547 ( 1.970 8.333 -0.682) 8.590 5.823 ( 0.893 -11.844 0.722) 11.900 6.488 ( -0.056 0.608 0.842) 1.040 6.588 ( 2.004 -5.331 -0.674) 5.735 8.128 ( -21.402 1.846 0.926) 21.501 8.159 ( 9.347 20.692 -0.086) 22.705 8.571 ( 11.820 -21.000 -0.706) 24.108 10.444 ( -1.905 3.000 0.124) 3.556 14.290 ( 1.765 -2.677 -0.018) 3.207 15.270 ( -6.944 -5.975 2.661) 9.540 15.462 ( 2.865 2.190 -0.154) 3.609 15.826 ( -0.444 5.152 -0.966) 5.261 15.887 ( -0.757 4.302 -0.935) 4.467 16.489 ( -3.928 5.055 0.048) 6.402 16.671 ( 4.976 -7.591 0.081) 9.077 18.145 ( -3.140 5.928 0.722) 6.747 18.331 ( 5.362 -3.681 -1.899) 6.775 18.758 ( -1.505 -1.220 0.818) 2.103 19.008 ( -0.074 3.152 -0.408) 3.179 19.145 ( 2.263 -4.630 -0.062) 5.154 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.688 -0.254 1.270) 3.909 1.369 ( -1.013 -0.045 -1.025) 1.442 1.433 ( 2.364 0.311 0.492) 2.435 1.639 ( 1.846 -1.059 -0.501) 2.186 1.876 ( -8.595 0.205 2.439) 8.937 2.060 ( 2.282 0.176 -1.109) 2.544 2.755 ( -11.287 2.547 -0.924) 11.608 2.931 ( -16.869 -1.784 -1.045) 16.995 3.552 ( 12.284 0.066 0.935) 12.320 5.232 ( -23.856 -0.655 -1.065) 23.889 5.448 ( 1.470 0.585 -0.643) 1.708 5.966 ( 5.069 -0.661 0.604) 5.147 6.598 ( 16.424 0.635 0.385) 16.441 6.688 ( 9.791 0.521 0.540) 9.819 7.811 ( -17.000 0.106 0.552) 17.009 8.462 ( 8.809 -6.330 -1.015) 10.894 8.601 ( 9.365 6.293 -0.030) 11.283 10.388 ( -6.299 -0.100 0.136) 6.301 14.331 ( 4.631 -0.124 -0.031) 4.633 15.130 ( -6.089 -2.178 4.077) 7.645 15.512 ( 1.800 -1.108 0.095) 2.116 15.805 ( -4.409 3.123 -1.618) 5.640 15.889 ( -3.087 -0.509 -1.679) 3.551 16.328 ( -8.896 0.280 -1.322) 8.998 16.851 ( 12.743 0.754 -0.921) 12.798 18.093 ( -4.605 0.212 -0.749) 4.670 18.418 ( 5.525 0.801 -1.155) 5.701 18.725 ( -1.449 -0.889 1.593) 2.330 19.040 ( 0.365 1.496 1.091) 1.887 19.156 ( 3.017 -2.195 0.698) 3.796 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -7.791 0.280 -0.947) 7.853 1.305 ( -2.585 -2.867 -1.960) 4.329 1.514 ( 2.503 3.475 3.311) 5.413 1.633 ( -0.743 -2.008 -1.137) 2.424 1.758 ( -6.720 1.679 3.678) 7.842 2.086 ( 0.985 -0.249 0.132) 1.024 2.437 ( -12.259 -18.498 -0.970) 22.213 2.727 ( -13.794 12.232 -1.722) 18.517 3.752 ( 13.088 -4.603 0.874) 13.901 4.799 ( -31.102 9.719 -0.799) 32.595 5.498 ( 1.881 2.835 -0.547) 3.446 5.926 ( -6.371 -0.140 0.303) 6.380 6.882 ( 11.949 -0.005 1.469) 12.039 7.021 ( 28.302 1.020 0.444) 28.324 7.567 ( -10.703 -1.571 -0.513) 10.830 8.391 ( 6.559 -24.358 -0.900) 25.242 8.934 ( 7.060 23.405 -0.549) 24.453 10.234 ( -9.768 -3.241 0.108) 10.292 14.438 ( 5.958 3.303 -0.110) 6.814 15.051 ( -5.969 1.353 6.077) 8.625 15.476 ( -2.717 -5.995 0.270) 6.587 15.710 ( -9.913 1.223 -4.439) 10.930 15.795 ( -0.385 -3.604 1.294) 3.848 16.260 ( -1.656 4.490 -3.554) 5.960 17.052 ( 10.864 -0.323 -0.796) 10.898 18.018 ( -2.402 -1.212 -2.645) 3.773 18.501 ( 3.503 1.312 -1.163) 3.918 18.710 ( -0.733 0.011 2.256) 2.372 19.048 ( 0.529 -2.508 1.199) 2.830 19.202 ( 1.420 2.001 1.393) 2.821 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -14.362 1.998 -3.307) 14.873 1.200 ( -6.999 -1.455 -1.486) 7.301 1.569 ( -1.701 0.554 2.408) 2.999 1.624 ( 2.882 1.270 1.816) 3.635 1.708 ( -3.111 0.174 3.256) 4.507 2.086 ( -1.532 -1.977 3.694) 4.461 2.119 ( -4.125 -10.726 -2.899) 11.852 2.635 ( -7.942 7.413 -1.250) 10.936 3.913 ( 11.690 -5.856 0.255) 13.077 4.363 ( -35.428 16.905 0.116) 39.255 5.547 ( 0.284 2.960 0.165) 2.978 5.809 ( -7.575 1.595 0.024) 7.741 7.084 ( 11.781 -2.237 1.501) 12.085 7.397 ( -2.231 -1.850 -1.537) 3.281 7.544 ( 26.553 1.504 0.244) 26.597 8.238 ( 4.344 -24.148 -0.699) 24.546 9.246 ( 3.705 20.443 -0.788) 20.791 10.005 ( -11.811 -5.142 -0.271) 12.885 14.585 ( 5.481 6.004 -0.380) 8.139 14.964 ( -8.424 -0.712 4.368) 9.515 15.321 ( -7.958 -4.464 0.690) 9.151 15.552 ( -6.142 0.969 -4.430) 7.635 15.801 ( 1.356 -0.196 1.681) 2.168 16.302 ( 3.571 2.127 0.098) 4.157 17.204 ( 8.608 -1.997 -0.306) 8.842 17.973 ( 0.487 -1.006 -5.214) 5.332 18.554 ( 2.275 0.835 -1.457) 2.828 18.715 ( -0.329 0.555 2.250) 2.340 19.020 ( -0.473 -3.870 0.427) 3.922 19.237 ( -1.074 2.795 0.943) 3.140 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -7.532 10.571 -2.818) 13.282 1.257 ( -0.387 6.939 1.376) 7.085 1.566 ( -0.043 -1.054 -0.328) 1.105 1.616 ( -5.023 0.295 0.213) 5.036 1.740 ( -1.460 0.028 3.936) 4.198 2.008 ( 2.358 4.523 -2.030) 5.490 2.212 ( 5.104 7.279 4.734) 10.072 2.655 ( -7.555 3.051 0.766) 8.183 3.907 ( 10.868 -7.634 -0.219) 13.283 4.390 ( -33.301 23.721 0.758) 40.893 5.564 ( -1.575 -1.989 1.161) 2.790 5.808 ( -5.580 5.971 -0.573) 8.192 7.052 ( 6.331 -9.242 0.241) 11.206 7.395 ( 3.291 0.883 -2.027) 3.965 7.521 ( 11.168 -22.320 0.853) 24.972 8.265 ( 22.944 8.727 -0.719) 24.558 9.234 ( -16.089 -13.689 0.368) 21.128 9.988 ( -2.101 13.272 -1.390) 13.509 14.585 ( -2.609 -7.626 -0.225) 8.063 14.876 ( -6.673 4.898 -1.211) 8.366 15.316 ( 0.551 9.870 0.527) 9.899 15.542 ( -2.662 4.461 -3.053) 6.026 15.848 ( -2.966 0.869 0.576) 3.144 16.484 ( 7.689 -3.027 12.920) 15.337 17.209 ( 6.304 -6.213 0.358) 8.858 17.932 ( 1.824 1.935 -8.006) 8.436 18.579 ( 1.788 0.066 -1.383) 2.261 18.705 ( -1.711 -3.376 2.936) 4.790 18.917 ( -1.302 1.387 -4.337) 4.736 19.217 ( -3.214 -0.449 -1.898) 3.760 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -3.715 14.319 -1.761) 14.897 1.300 ( -1.354 3.264 1.890) 4.007 1.520 ( -1.655 -1.439 0.082) 2.195 1.597 ( -1.236 3.095 -1.397) 3.614 1.710 ( -2.961 -0.955 3.973) 5.046 2.033 ( -2.449 3.247 -1.622) 4.379 2.372 ( -6.445 11.250 2.743) 13.253 2.589 ( 1.288 -0.129 2.577) 2.884 3.970 ( 5.800 -9.257 0.164) 10.926 4.198 ( -19.010 31.721 0.448) 36.984 5.536 ( 0.400 -1.930 0.677) 2.084 5.784 ( -4.344 7.126 -0.466) 8.359 7.060 ( 5.643 -9.798 -0.001) 11.307 7.443 ( -1.351 3.559 -1.147) 3.976 7.492 ( 14.260 -23.935 0.490) 27.866 8.720 ( 2.331 -4.909 -0.652) 5.473 8.821 ( 2.908 -2.599 0.097) 3.901 10.037 ( -6.577 11.726 -1.260) 13.504 14.520 ( 2.877 -4.668 0.007) 5.483 14.837 ( -2.909 5.958 0.329) 6.639 15.399 ( -6.141 10.152 1.273) 11.933 15.523 ( -4.053 6.558 -4.013) 8.692 15.796 ( -0.721 -0.806 -0.321) 1.128 16.618 ( 5.151 -6.458 14.694) 16.857 17.238 ( 4.612 -7.051 0.514) 8.441 17.925 ( -0.084 0.758 -11.753) 11.778 18.594 ( 0.150 -3.782 0.213) 3.791 18.663 ( 0.731 -0.383 2.415) 2.552 18.898 ( -1.449 3.682 -5.385) 6.682 19.169 ( -0.849 0.106 -1.354) 1.602 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -2.399 14.592 -2.416) 14.984 1.319 ( -0.826 2.473 3.741) 4.560 1.497 ( -0.134 -0.162 -0.322) 0.385 1.568 ( -4.033 1.463 -1.954) 4.714 1.691 ( -0.405 0.706 4.187) 4.265 1.980 ( -5.074 0.684 -1.718) 5.400 2.254 ( -8.285 -1.313 3.217) 8.984 2.693 ( 1.475 7.941 1.009) 8.140 3.924 ( 1.896 -13.079 0.658) 13.232 4.373 ( -4.480 40.158 0.637) 40.412 5.544 ( 1.184 -0.101 0.023) 1.189 5.802 ( -1.945 7.986 -0.222) 8.223 7.048 ( 4.689 -10.992 -0.077) 11.950 7.403 ( -2.344 -0.905 -1.116) 2.750 7.541 ( 14.317 -20.676 0.130) 25.150 8.277 ( -18.095 -14.945 0.817) 23.483 9.251 ( 20.345 7.865 -0.609) 21.821 9.983 ( -10.665 9.202 -1.015) 14.123 14.590 ( 8.367 -1.930 -0.144) 8.588 14.901 ( 0.631 8.364 2.594) 8.779 15.303 ( -10.572 3.685 0.021) 11.196 15.494 ( -4.456 6.397 -4.407) 8.955 15.833 ( 2.091 2.408 1.760) 3.643 16.637 ( -0.339 -9.468 12.069) 15.344 17.231 ( 2.381 -7.217 0.741) 7.635 17.854 ( -2.918 2.621 -11.954) 12.581 18.531 ( -1.648 -3.880 -0.403) 4.235 18.724 ( 3.117 -0.117 2.684) 4.115 18.900 ( 0.546 2.816 -4.497) 5.334 19.177 ( 1.364 0.953 -1.565) 2.285 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.065 12.260 -3.507) 12.752 1.342 ( -1.391 3.212 4.281) 5.530 1.511 ( -1.520 -1.827 1.038) 2.593 1.525 ( 3.330 1.438 -3.024) 4.722 1.737 ( 1.539 2.934 4.114) 5.283 1.909 ( 0.634 -2.554 -0.740) 2.733 2.159 ( -1.954 -3.664 2.607) 4.903 2.791 ( -0.868 12.181 -0.253) 12.214 3.798 ( 0.364 -16.319 0.620) 16.335 4.749 ( -0.726 41.250 0.693) 41.262 5.554 ( -1.018 0.917 -0.025) 1.370 5.872 ( 0.716 7.802 -0.101) 7.835 6.986 ( 1.034 -12.246 -0.211) 12.292 7.382 ( 1.993 -0.106 -1.112) 2.285 7.452 ( -1.905 -24.713 0.272) 24.788 7.976 ( -0.148 -9.545 0.667) 9.569 9.525 ( -1.363 6.143 0.326) 6.301 9.932 ( 1.115 6.994 -0.997) 7.152 14.686 ( 0.065 -0.474 -0.337) 0.585 14.994 ( 3.094 4.307 2.276) 5.770 15.265 ( 3.059 6.292 1.091) 7.081 15.470 ( -2.948 5.459 -3.899) 7.328 15.870 ( -1.169 -0.182 2.651) 2.903 16.545 ( -4.010 -7.968 7.204) 11.466 17.179 ( -0.626 -7.469 1.020) 7.564 17.822 ( -0.588 6.649 -7.835) 10.293 18.466 ( -1.448 -3.372 -1.069) 3.823 18.765 ( 0.796 0.014 1.946) 2.102 18.931 ( 2.825 0.100 -3.089) 4.188 19.200 ( 0.875 0.633 -2.228) 2.476 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.392 8.621 -3.695) 9.680 1.363 ( -1.588 1.297 2.678) 3.373 1.483 ( -0.272 -2.438 2.174) 3.278 1.570 ( 1.569 -0.283 -3.312) 3.676 1.849 ( 3.720 4.980 3.959) 7.370 1.995 ( 11.136 0.091 -1.497) 11.237 2.135 ( 5.191 -5.579 2.963) 8.177 2.922 ( -0.081 16.992 -0.668) 17.005 3.640 ( 0.649 -17.517 0.590) 17.538 5.111 ( -2.462 36.082 0.252) 36.167 5.522 ( -3.577 0.607 0.221) 3.634 5.956 ( 1.677 3.854 -0.170) 4.206 6.844 ( -3.417 -11.277 -0.535) 11.795 7.060 ( -11.581 -23.711 1.544) 26.433 7.507 ( 7.946 7.648 -0.884) 11.064 8.002 ( 11.977 -12.318 -0.413) 17.186 9.349 ( -20.772 4.485 0.733) 21.264 10.134 ( 11.367 4.769 -0.495) 12.337 14.558 ( -10.323 -1.164 -0.360) 10.394 15.184 ( 11.847 2.326 2.215) 12.274 15.441 ( 4.065 4.543 -2.360) 6.537 15.493 ( 3.849 8.048 0.173) 8.923 15.805 ( -3.097 -6.487 2.443) 7.592 16.446 ( -4.777 -0.113 2.916) 5.598 17.070 ( -4.132 -7.322 1.280) 8.504 17.895 ( 3.268 7.502 -3.201) 8.787 18.404 ( -1.723 -3.112 -0.776) 3.641 18.779 ( 0.223 0.011 1.040) 1.064 18.958 ( 2.433 -1.297 -2.553) 3.758 19.192 ( -0.855 -0.426 -2.186) 2.386 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 3.679 5.264 -2.864) 7.032 1.327 ( -3.936 -0.140 1.516) 4.220 1.463 ( -0.035 -3.629 2.115) 4.201 1.566 ( 0.423 0.105 -2.170) 2.213 1.929 ( 1.899 0.477 0.137) 1.963 2.074 ( 0.401 0.045 1.149) 1.218 2.425 ( 24.599 0.793 1.305) 24.646 3.098 ( -0.809 18.099 -0.616) 18.128 3.495 ( 1.968 -16.047 0.699) 16.183 5.361 ( -3.003 24.715 -0.175) 24.897 5.458 ( -3.958 0.310 0.117) 3.972 5.968 ( -0.050 -6.271 -0.005) 6.271 6.648 ( -8.206 -8.399 -0.252) 11.745 6.716 ( -7.065 -10.062 1.037) 12.338 7.786 ( 12.428 13.442 -0.203) 18.308 8.082 ( 13.058 -15.434 -0.788) 20.232 8.991 ( -24.904 2.321 0.884) 25.028 10.339 ( 8.112 2.552 -0.153) 8.506 14.384 ( -7.665 -1.279 -0.182) 7.774 15.372 ( 4.481 2.497 3.733) 6.344 15.436 ( -0.975 -3.997 -6.139) 7.390 15.714 ( 7.558 8.084 1.401) 11.155 15.746 ( 4.241 -3.667 2.042) 5.966 16.415 ( -2.247 4.801 0.657) 5.341 16.910 ( -7.796 -5.575 1.549) 9.709 18.035 ( 6.061 5.644 -0.459) 8.295 18.338 ( -2.760 -2.452 -0.051) 3.693 18.779 ( -0.032 -0.961 -0.107) 0.968 18.975 ( 2.093 -0.561 -1.541) 2.659 19.149 ( -1.968 -1.614 -1.562) 2.986 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -1.821 -3.712 -1.357) 4.352 1.324 ( 1.756 6.112 0.867) 6.418 1.424 ( -0.881 -3.640 0.353) 3.761 1.579 ( 1.109 0.586 -0.129) 1.261 1.949 ( 2.473 -2.502 -0.862) 3.622 2.074 ( -1.878 1.526 0.543) 2.480 2.832 ( 19.694 0.803 0.781) 19.725 3.133 ( -8.225 2.156 -0.060) 8.503 3.441 ( 1.422 -1.831 -0.260) 2.333 5.407 ( -1.804 0.607 0.381) 1.942 5.522 ( 6.268 3.415 0.093) 7.139 5.828 ( -8.515 -3.108 -0.372) 9.072 6.521 ( -1.741 0.018 0.056) 1.742 6.570 ( -5.098 -0.583 0.017) 5.131 8.122 ( 9.926 -13.138 -0.915) 16.491 8.171 ( 15.047 13.747 0.313) 20.383 8.577 ( -24.939 -0.166 0.739) 24.951 10.448 ( 3.209 -0.117 -0.053) 3.212 14.286 ( -2.904 -0.001 -0.012) 2.904 15.297 ( -3.264 -7.843 -2.642) 8.897 15.452 ( 0.791 2.956 0.865) 3.180 15.852 ( 3.213 3.888 1.935) 5.402 15.866 ( 5.039 0.027 -0.405) 5.055 16.478 ( 5.471 1.616 -0.651) 5.742 16.723 ( -11.226 0.808 1.367) 11.338 18.184 ( 7.250 -1.771 -0.283) 7.468 18.269 ( -4.366 3.441 1.030) 5.654 18.758 ( -0.396 -1.911 -0.725) 2.082 19.017 ( 2.932 1.156 0.359) 3.172 19.089 ( -1.747 -2.528 -0.954) 3.217 ======================= Grid point 53 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -1.615 -3.465 -0.572) 3.866 1.367 ( -1.344 -3.325 -0.999) 3.723 1.425 ( 2.371 5.273 1.408) 5.951 1.606 ( 1.282 0.258 0.649) 1.460 1.960 ( 1.100 -2.397 0.489) 2.682 2.047 ( -2.604 1.977 -0.765) 3.358 2.857 ( -9.712 -16.580 -0.229) 19.216 3.130 ( 3.765 7.351 -0.165) 8.261 3.411 ( -2.110 -1.848 -0.280) 2.819 5.417 ( 0.672 2.776 0.020) 2.856 5.563 ( -2.804 -7.161 0.308) 7.697 5.797 ( 4.511 9.818 -0.040) 10.805 6.489 ( 0.344 -0.209 -0.878) 0.965 6.592 ( 2.819 5.222 0.579) 5.963 8.106 ( 1.052 -12.159 0.272) 12.207 8.158 ( -14.162 -10.279 -0.286) 17.502 8.598 ( 12.513 21.440 -0.296) 24.826 10.442 ( -1.852 -3.207 -0.057) 3.704 14.289 ( 1.683 2.573 0.048) 3.075 15.189 ( -1.753 -3.483 0.475) 3.928 15.477 ( 0.097 -0.212 -0.376) 0.443 15.841 ( -2.227 -4.269 -0.346) 4.828 15.929 ( -0.693 1.330 -0.172) 1.509 16.488 ( -4.857 -3.728 0.573) 6.150 16.696 ( 4.063 9.019 -1.435) 9.996 18.141 ( -2.580 -5.504 -0.740) 6.123 18.360 ( 3.718 6.048 0.907) 7.157 18.731 ( -0.288 -1.658 0.130) 1.688 19.038 ( -0.363 -3.339 -0.564) 3.406 19.098 ( 3.588 2.751 1.781) 4.860 ======================= Grid point 54 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -1.629 -2.704 -0.807) 3.258 1.306 ( -1.808 -1.934 -1.898) 3.258 1.516 ( 2.453 2.942 2.468) 4.557 1.628 ( 0.304 0.895 0.406) 1.028 1.915 ( -6.076 0.966 2.673) 6.708 2.047 ( 1.937 -0.289 -1.193) 2.293 2.449 ( -13.535 -21.836 -0.925) 25.707 3.088 ( -15.399 9.564 -1.530) 18.192 3.460 ( 13.153 -9.274 1.113) 16.132 5.375 ( -19.490 13.763 -0.147) 23.860 5.499 ( 1.443 4.622 -0.806) 4.908 5.951 ( 4.557 -1.841 1.263) 5.074 6.622 ( 16.124 2.146 -0.906) 16.291 6.724 ( 7.734 2.325 0.902) 8.126 7.774 ( -16.914 -4.549 -0.197) 17.516 8.052 ( 6.570 -20.177 -0.371) 21.222 9.006 ( 10.319 21.819 -0.809) 24.150 10.326 ( -6.249 -6.199 -0.030) 8.802 14.389 ( 4.972 5.853 0.014) 7.680 15.173 ( -1.754 2.511 4.839) 5.727 15.426 ( -1.573 -7.516 -1.288) 7.786 15.754 ( -0.309 -5.951 0.389) 5.972 15.841 ( -8.053 -1.558 -3.538) 8.933 16.396 ( -6.334 5.461 -0.035) 8.363 16.869 ( 9.266 2.180 -1.572) 9.648 18.041 ( -3.101 -3.610 -1.370) 4.952 18.465 ( 2.827 3.448 0.053) 4.459 18.721 ( 0.068 -0.667 1.222) 1.394 19.006 ( 0.602 -3.453 -0.521) 3.544 19.196 ( 3.110 3.166 2.120) 4.918 ======================= Grid point 55 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -5.975 -0.707 -2.992) 6.720 1.255 ( -2.277 -0.737 -1.080) 2.625 1.578 ( 1.764 -0.956 0.671) 2.115 1.641 ( -0.896 3.612 2.637) 4.561 1.820 ( -7.502 1.185 3.591) 8.401 2.059 ( -6.407 -16.525 -0.981) 17.750 2.079 ( 2.079 -1.028 0.776) 2.446 2.903 ( -14.569 8.312 -1.748) 16.864 3.612 ( 14.647 -9.435 0.752) 17.439 5.120 ( -30.154 20.468 0.405) 36.447 5.570 ( 1.145 3.959 -0.154) 4.124 5.934 ( -4.326 0.479 0.363) 4.368 6.880 ( 10.120 -1.379 0.584) 10.230 7.026 ( 27.525 -2.060 0.243) 27.603 7.500 ( -9.412 -4.261 -1.426) 10.430 7.956 ( 4.496 -17.065 -0.119) 17.648 9.350 ( 6.356 18.692 -0.977) 19.767 10.121 ( -9.116 -7.570 -0.049) 11.849 14.555 ( 5.840 7.970 -0.171) 9.882 15.126 ( -9.342 -1.524 3.358) 10.043 15.337 ( 0.413 -4.629 1.988) 5.054 15.651 ( -7.989 -1.660 -5.037) 9.589 15.746 ( 3.973 -3.205 1.633) 5.359 16.363 ( -4.772 6.278 0.226) 7.889 17.025 ( 9.268 -1.761 -0.731) 9.462 17.962 ( -1.975 -1.528 -2.641) 3.635 18.526 ( 1.777 1.615 -0.780) 2.525 18.727 ( 0.193 -0.156 1.712) 1.730 18.981 ( 0.469 -3.153 -0.917) 3.317 19.267 ( 0.918 2.368 1.042) 2.745 ======================= Grid point 57 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -4.470 6.056 -2.316) 7.876 1.288 ( 1.609 2.055 0.814) 2.734 1.552 ( -0.028 -1.112 -0.175) 1.126 1.684 ( -2.592 -1.134 -1.514) 3.209 1.825 ( -4.952 3.148 4.420) 7.346 2.002 ( 5.136 8.718 -0.324) 10.124 2.163 ( 8.958 4.540 2.728) 10.406 2.906 ( -13.509 9.476 -0.932) 16.527 3.606 ( 14.986 -8.488 0.468) 17.229 5.160 ( -31.922 16.689 0.661) 36.027 5.578 ( -2.479 -3.090 0.501) 3.993 5.937 ( -2.655 3.703 -0.459) 4.580 6.862 ( 5.707 -8.314 0.036) 10.085 6.988 ( 14.646 -22.977 0.860) 27.261 7.490 ( -0.677 9.514 -1.026) 9.593 7.983 ( 17.660 5.254 -0.552) 18.433 9.344 ( -13.028 -15.039 0.698) 19.910 10.114 ( 1.552 11.960 -0.580) 12.074 14.556 ( -3.970 -8.996 -0.396) 9.841 15.053 ( -7.590 6.023 -0.169) 9.691 15.340 ( 4.374 5.586 -1.594) 7.271 15.603 ( -1.125 3.591 -1.028) 3.901 15.873 ( 5.022 1.547 3.565) 6.350 16.435 ( -1.081 -0.185 4.979) 5.098 17.029 ( 6.702 -7.105 0.520) 9.780 17.935 ( -0.552 3.827 -3.324) 5.099 18.546 ( 0.905 -0.992 -1.240) 1.828 18.711 ( -1.167 -1.833 1.398) 2.584 18.929 ( -0.297 1.408 -1.954) 2.427 19.249 ( -2.817 -1.596 -2.114) 3.867 ======================= Grid point 58 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -2.216 9.534 -1.524) 9.906 1.328 ( 0.608 1.167 -0.077) 1.318 1.521 ( -1.267 -3.052 0.535) 3.347 1.636 ( -1.308 0.751 -2.046) 2.541 1.786 ( -4.326 1.690 4.409) 6.404 2.084 ( 0.030 2.576 0.026) 2.576 2.490 ( 10.780 16.386 1.927) 19.709 2.750 ( -15.312 6.981 0.277) 16.831 3.746 ( 10.274 -8.965 0.549) 13.646 4.842 ( -24.765 21.632 0.253) 32.884 5.512 ( -0.765 -3.472 0.162) 3.559 5.924 ( -3.911 5.576 -0.244) 6.816 6.868 ( 5.317 -9.817 0.739) 11.189 7.000 ( 14.797 -24.580 0.570) 28.696 7.547 ( -3.485 9.889 -1.026) 10.536 8.415 ( 24.228 6.888 -0.873) 25.204 8.924 ( -16.605 -17.634 0.646) 24.231 10.222 ( -2.449 10.739 -0.381) 11.021 14.436 ( 0.064 -6.852 -0.283) 6.858 14.976 ( -5.924 5.507 1.467) 8.221 15.489 ( 2.708 4.170 -0.044) 4.972 15.644 ( 0.461 9.984 -1.365) 10.088 15.866 ( -7.099 0.998 -0.692) 7.202 16.492 ( 6.133 -5.687 8.791) 12.134 17.065 ( 6.600 -8.783 0.448) 10.996 17.946 ( -1.985 5.949 -5.815) 8.553 18.538 ( 1.220 -3.924 -0.849) 4.196 18.678 ( -1.345 -0.446 1.665) 2.187 18.934 ( -0.804 3.217 -3.093) 4.535 19.175 ( -1.921 -2.090 -1.961) 3.450 ======================= Grid point 59 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -1.124 10.279 -1.926) 10.518 1.339 ( 0.089 1.306 0.206) 1.325 1.481 ( 0.103 -3.150 1.233) 3.384 1.616 ( -1.153 -0.236 -1.965) 2.290 1.761 ( -3.031 3.106 4.313) 6.119 2.079 ( -3.210 1.828 -0.233) 3.701 2.488 ( -18.454 -0.935 1.028) 18.506 2.777 ( 2.394 16.873 0.322) 17.045 3.755 ( 3.212 -13.225 0.998) 13.646 4.831 ( -7.321 31.688 0.471) 32.526 5.501 ( 2.400 -1.377 -0.552) 2.822 5.919 ( -3.050 5.784 0.193) 6.542 6.855 ( 5.051 -11.186 0.284) 12.277 7.023 ( 14.964 -23.141 0.506) 27.563 7.555 ( -5.835 8.849 -0.889) 10.637 8.428 ( -17.364 -17.127 0.538) 24.395 8.927 ( 24.437 6.001 -0.801) 25.176 10.226 ( -7.727 7.905 -0.185) 11.056 14.435 ( 5.999 -3.597 -0.192) 6.997 15.000 ( -0.841 8.547 3.980) 9.465 15.481 ( -5.260 0.148 -0.083) 5.263 15.661 ( -11.053 6.032 -3.397) 13.042 15.825 ( 3.252 4.342 1.195) 5.555 16.542 ( 3.914 -9.178 6.491) 11.904 17.087 ( 5.762 -8.527 0.304) 10.296 17.927 ( -4.393 7.046 -6.608) 10.612 18.497 ( 0.182 -5.451 -0.914) 5.530 18.693 ( 1.482 1.068 2.166) 2.833 18.930 ( -1.805 3.256 -3.405) 5.045 19.147 ( 1.276 -1.174 -1.070) 2.037 ======================= Grid point 60 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -1.748 7.692 -2.796) 8.369 1.376 ( 1.481 1.868 1.643) 2.895 1.471 ( 1.205 -2.364 0.763) 2.761 1.571 ( -2.678 -0.046 -1.047) 2.876 1.790 ( -0.547 5.238 3.838) 6.516 1.982 ( -10.291 1.138 -1.221) 10.426 2.197 ( -8.719 -6.010 1.607) 10.711 2.941 ( -0.926 16.261 -0.772) 16.305 3.629 ( 0.079 -17.447 1.052) 17.479 5.137 ( 1.009 35.667 0.827) 35.691 5.545 ( 2.712 0.549 -0.672) 2.848 5.934 ( -0.860 3.332 0.405) 3.465 6.827 ( 4.172 -10.002 -0.761) 10.864 7.037 ( 11.798 -22.549 0.576) 25.456 7.516 ( -7.139 6.607 -0.888) 9.767 8.009 ( -12.587 -12.892 0.880) 18.039 9.368 ( 20.476 4.310 -0.631) 20.934 10.121 ( -11.396 5.106 -0.003) 12.487 14.556 ( 10.240 -1.240 -0.100) 10.315 15.103 ( -2.775 8.291 3.401) 9.381 15.339 ( -6.805 0.940 2.025) 7.162 15.564 ( -4.256 4.562 -3.871) 7.342 15.880 ( -0.484 -2.210 1.539) 2.736 16.519 ( 0.909 -5.864 2.793) 6.558 17.089 ( 3.244 -7.164 0.268) 7.869 17.901 ( -3.594 7.173 -4.327) 9.115 18.443 ( -0.310 -4.177 -1.197) 4.356 18.742 ( 1.973 0.144 1.976) 2.796 18.918 ( -0.884 2.102 -2.463) 3.357 19.169 ( 2.020 -0.308 -1.120) 2.330 ======================= Grid point 61 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.171 3.608 -2.154) 4.206 1.414 ( -0.413 2.021 1.743) 2.701 1.471 ( 0.558 -2.620 1.040) 2.873 1.545 ( -0.251 1.652 -1.560) 2.286 1.844 ( 0.121 1.506 0.575) 1.616 1.874 ( 1.339 1.987 1.790) 2.990 2.079 ( -1.277 -4.819 0.384) 5.000 3.089 ( -0.376 18.004 -1.067) 18.040 3.452 ( 0.228 -19.078 0.943) 19.103 5.483 ( -0.213 29.183 0.266) 29.185 5.573 ( -1.197 2.175 0.336) 2.505 5.936 ( 0.874 -4.876 -0.118) 4.955 6.794 ( 0.160 -3.525 -1.471) 3.823 6.944 ( 0.712 -19.728 1.482) 19.797 7.476 ( -0.364 4.204 -0.695) 4.277 7.815 ( -0.055 -6.072 0.356) 6.083 9.613 ( -0.561 2.281 0.180) 2.356 10.021 ( 0.439 2.430 -0.232) 2.480 14.678 ( 0.093 -0.165 -0.164) 0.251 15.048 ( 0.220 0.616 0.440) 0.788 15.416 ( 3.809 4.272 2.728) 6.341 15.562 ( -0.692 9.176 -2.222) 9.466 15.780 ( -3.120 -10.670 1.002) 11.162 16.502 ( -0.810 0.059 0.872) 1.192 17.058 ( -0.416 -4.407 0.506) 4.456 17.916 ( -0.014 4.710 -1.559) 4.961 18.399 ( -0.712 -2.181 -0.576) 2.366 18.769 ( 0.727 -0.449 0.773) 1.152 18.921 ( 0.479 0.634 -1.266) 1.495 19.184 ( 0.454 -0.328 -1.144) 1.274 ======================= Grid point 62 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 2.876 -0.087 -0.970) 3.036 1.405 ( -2.992 0.713 1.136) 3.279 1.450 ( -0.581 -1.585 0.600) 1.791 1.555 ( 0.523 0.954 -1.109) 1.554 1.899 ( 0.458 -2.065 -1.035) 2.354 2.027 ( 16.717 -3.717 1.165) 17.164 2.072 ( 4.560 5.258 0.442) 6.974 3.270 ( -0.884 8.819 -0.364) 8.871 3.289 ( 3.412 -8.537 0.166) 9.195 5.530 ( -3.698 -0.610 0.460) 3.776 5.635 ( -6.255 4.093 0.044) 7.475 5.886 ( 1.718 -2.522 -0.713) 3.134 6.747 ( -6.206 5.441 -1.172) 8.337 6.753 ( -6.012 -6.818 1.899) 9.286 7.621 ( 12.905 -0.092 0.220) 12.907 7.841 ( 6.234 0.706 -0.810) 6.326 9.403 ( -20.681 0.188 0.799) 20.697 10.176 ( 11.628 -0.193 -0.321) 11.634 14.543 ( -11.009 0.013 -0.165) 11.010 15.209 ( 13.073 -1.283 0.743) 13.157 15.417 ( -2.030 -2.076 -5.531) 6.247 15.647 ( 0.635 -6.931 1.850) 7.202 15.729 ( 4.427 10.091 2.621) 11.326 16.486 ( -2.132 1.073 0.007) 2.387 16.999 ( -4.372 0.330 0.941) 4.484 17.972 ( 3.907 -0.116 0.216) 3.915 18.374 ( -1.483 0.933 0.720) 1.894 18.767 ( -0.227 -0.986 -0.798) 1.288 18.934 ( 1.376 -0.566 0.013) 1.487 19.166 ( -1.598 -0.445 -0.818) 1.849 ======================= Grid point 64 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 1.831 -4.914 -0.333) 5.255 1.364 ( -1.507 -0.236 0.972) 1.809 1.431 ( -1.246 1.406 -0.584) 1.967 1.578 ( 0.661 1.699 0.469) 1.882 1.872 ( 1.860 -4.357 -2.044) 5.159 2.093 ( 1.440 0.421 0.034) 1.501 2.459 ( 23.825 1.558 0.680) 23.885 3.123 ( -0.154 -17.177 0.738) 17.193 3.474 ( 1.220 15.783 -1.368) 15.889 5.394 ( -2.151 -20.677 -0.436) 20.793 5.482 ( -4.439 -1.563 1.375) 4.903 5.937 ( -0.286 6.166 -1.074) 6.265 6.640 ( -8.146 6.785 0.767) 10.629 6.702 ( -6.831 8.788 -0.545) 11.144 7.770 ( 11.286 -13.025 0.155) 17.236 8.102 ( 14.053 16.126 -0.567) 21.398 9.001 ( -25.033 -2.088 0.885) 25.136 10.334 ( 8.238 -2.893 -0.162) 8.733 14.384 ( -7.623 1.349 0.043) 7.742 15.223 ( -0.936 -9.605 -5.230) 10.976 15.455 ( 4.406 2.422 0.265) 5.035 15.699 ( 9.793 -2.212 2.015) 10.240 15.867 ( 1.327 3.367 0.845) 3.716 16.459 ( -1.678 1.314 -0.685) 2.239 16.930 ( -7.602 6.007 0.853) 9.726 18.035 ( 5.893 -5.481 1.300) 8.152 18.376 ( -2.126 5.028 1.632) 5.698 18.739 ( -0.590 -1.759 -1.815) 2.596 18.961 ( 2.677 -1.660 1.416) 3.453 19.123 ( -2.642 0.362 -0.407) 2.698 ======================= Grid point 65 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.262 -6.662 -0.572) 6.692 1.352 ( -0.183 -2.111 0.866) 2.289 1.452 ( 0.751 4.582 -0.455) 4.665 1.607 ( 0.343 1.369 1.616) 2.146 1.872 ( 3.866 -3.663 -2.136) 5.738 2.101 ( -1.045 0.844 -0.634) 1.485 2.759 ( 6.442 -8.855 0.690) 10.972 2.963 ( 5.834 -13.542 -0.178) 14.746 3.565 ( -6.224 10.181 -1.424) 12.017 5.247 ( 12.022 -20.076 0.620) 23.409 5.447 ( -1.012 2.537 0.625) 2.802 5.966 ( -1.709 4.177 -0.758) 4.576 6.596 ( -9.014 13.546 -0.536) 16.280 6.690 ( -4.464 8.788 -0.268) 9.861 7.793 ( 8.202 -15.370 0.082) 17.422 8.479 ( -7.190 5.283 0.418) 8.932 8.602 ( -2.379 9.968 -0.054) 10.248 10.387 ( 3.044 -5.917 -0.077) 6.655 14.326 ( -2.188 3.924 0.175) 4.496 15.120 ( 1.810 -6.934 -3.638) 8.038 15.501 ( -0.739 1.168 0.679) 1.540 15.827 ( -2.667 -5.763 -0.287) 6.357 15.879 ( 8.515 -1.584 1.840) 8.854 16.451 ( -0.585 1.403 -2.277) 2.738 16.877 ( -7.748 10.205 0.000) 12.813 18.057 ( 3.416 -7.907 1.679) 8.775 18.418 ( -0.803 6.981 1.444) 7.174 18.709 ( 0.250 -1.805 -1.362) 2.275 18.985 ( 1.751 -3.838 1.531) 4.487 19.109 ( 0.028 3.043 0.896) 3.172 ======================= Grid point 66 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.981 -5.639 0.049) 5.724 1.317 ( -1.803 -1.137 -0.810) 2.280 1.515 ( 1.513 2.665 0.699) 3.143 1.638 ( 0.934 1.797 1.783) 2.698 1.906 ( 4.326 -2.674 -1.597) 5.330 2.072 ( -2.714 0.586 -0.544) 2.829 2.465 ( -13.530 -20.794 -1.022) 24.829 3.097 ( 14.691 -9.260 0.704) 17.380 3.456 ( -14.366 7.043 -1.070) 16.036 5.412 ( 20.727 -9.169 0.235) 22.666 5.498 ( 2.352 4.514 0.307) 5.099 5.954 ( -3.924 3.329 0.141) 5.148 6.598 ( -5.762 13.720 -0.820) 14.903 6.720 ( -1.253 7.608 -0.509) 7.727 7.747 ( 4.570 -16.913 0.053) 17.520 8.079 ( -20.895 -4.598 0.708) 21.407 9.002 ( 13.730 19.820 -0.804) 24.124 10.322 ( -1.989 -8.815 0.026) 9.036 14.388 ( 2.737 7.172 0.228) 7.679 15.134 ( 6.341 -2.849 0.082) 6.952 15.442 ( -6.109 -3.794 0.106) 7.192 15.703 ( -1.343 -7.633 0.490) 7.766 15.925 ( -3.288 -1.159 -1.387) 3.752 16.453 ( 1.566 0.339 -1.945) 2.520 16.873 ( -3.898 9.312 -1.081) 10.153 18.018 ( 0.044 -6.196 0.893) 6.260 18.481 ( 0.375 4.710 0.965) 4.822 18.705 ( 1.076 -0.610 -0.278) 1.268 18.966 ( 0.259 -3.229 0.502) 3.278 19.182 ( 3.087 3.169 2.309) 4.990 ======================= Grid point 67 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.236 -3.165 -0.114) 3.176 1.274 ( -1.462 -0.347 -1.081) 1.851 1.552 ( 1.042 0.235 0.702) 1.278 1.683 ( 0.474 2.604 1.180) 2.898 1.934 ( 0.650 -1.092 0.419) 1.339 2.014 ( -5.454 -12.057 -1.262) 13.293 2.053 ( -6.967 -4.749 -0.248) 8.435 3.242 ( -2.393 1.752 -0.466) 3.002 3.265 ( 1.008 -4.310 0.304) 4.437 5.578 ( 2.625 3.843 -0.683) 4.704 5.633 ( 0.170 6.581 0.449) 6.598 5.916 ( -0.043 -1.526 0.989) 1.819 6.683 ( 5.333 5.704 -0.823) 7.852 6.791 ( 2.759 4.190 -0.198) 5.021 7.584 ( -5.934 -12.042 -0.425) 13.431 7.810 ( -4.479 -5.282 0.619) 6.953 9.384 ( 9.625 16.820 -0.921) 19.401 10.160 ( -5.482 -9.946 0.179) 11.358 14.544 ( 5.281 9.112 0.170) 10.534 15.212 ( -2.110 -11.364 -0.937) 11.596 15.291 ( 1.344 3.894 5.157) 6.600 15.656 ( 1.469 -4.075 -0.586) 4.371 15.762 ( -9.778 -2.313 -4.041) 10.831 16.481 ( -0.344 2.293 -0.115) 2.322 16.911 ( 1.536 3.255 -1.102) 3.764 17.963 ( -0.967 -3.025 -0.192) 3.182 18.523 ( 0.459 1.888 0.351) 1.975 18.721 ( 0.773 0.094 0.373) 0.863 18.946 ( 0.317 -1.951 -0.165) 1.983 19.266 ( 2.211 2.028 1.589) 3.395 ======================= Grid point 137 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.158 ( -0.000 0.000 12.227) 12.227 0.158 ( -0.000 0.000 12.227) 12.227 0.179 ( -0.000 0.000 13.675) 13.675 1.625 ( 0.000 -0.000 -2.704) 2.704 1.625 ( 0.000 -0.000 -2.704) 2.704 2.200 ( -0.000 0.000 1.538) 1.538 2.200 ( -0.000 0.000 1.538) 1.538 2.379 ( -0.000 0.000 0.961) 0.961 3.325 ( 0.000 -0.000 -1.107) 1.107 4.312 ( 0.000 -0.000 -0.048) 0.048 5.508 ( 0.000 -0.000 -0.154) 0.154 5.508 ( 0.000 -0.000 -0.154) 0.154 7.454 ( 0.000 -0.000 -3.207) 3.207 7.623 ( -0.000 0.000 2.849) 2.849 8.507 ( -0.000 0.000 0.016) 0.016 8.507 ( 0.000 0.000 0.016) 0.016 8.973 ( 0.000 0.000 0.043) 0.043 8.973 ( 0.000 0.000 0.043) 0.043 14.615 ( -0.000 0.000 0.204) 0.204 14.615 ( 0.000 0.000 0.204) 0.204 14.747 ( -0.000 0.000 0.235) 0.235 14.747 ( 0.000 0.000 0.235) 0.235 15.900 ( 0.000 0.000 -0.068) 0.068 15.900 ( 0.000 0.000 -0.068) 0.068 17.506 ( 0.000 -0.000 -0.004) 0.004 18.625 ( 0.000 -0.000 -0.060) 0.060 18.663 ( 0.000 -0.000 -0.111) 0.111 18.663 ( 0.000 0.000 -0.111) 0.111 19.042 ( 0.000 -0.000 -0.031) 0.031 19.243 ( -0.000 0.000 0.175) 0.175 ======================= Grid point 138 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.185 ( 2.977 0.103 8.747) 9.241 0.463 ( 20.472 0.989 5.602) 21.248 0.901 ( 30.311 22.515 3.697) 37.939 1.611 ( -1.818 2.450 -2.500) 3.944 1.627 ( -0.112 0.693 -1.991) 2.111 2.184 ( -1.214 -2.017 2.004) 3.091 2.224 ( -6.104 -2.777 0.964) 6.774 2.497 ( 13.463 5.342 -1.289) 14.541 2.943 ( -9.976 -3.911 13.039) 16.877 4.291 ( -2.044 -1.111 -0.157) 2.331 5.521 ( 1.459 -0.252 0.159) 1.489 5.532 ( 1.891 0.786 0.397) 2.086 7.380 ( -2.495 -0.971 -2.859) 3.917 7.587 ( -4.002 -2.563 2.681) 5.456 8.439 ( -5.109 -3.173 -0.066) 6.015 8.797 ( -9.001 -4.620 -3.938) 10.856 9.049 ( 5.185 4.810 -0.047) 7.073 9.229 ( 21.998 11.635 -17.210) 30.257 14.622 ( -0.873 5.252 -0.372) 5.337 14.733 ( -1.025 -0.228 -0.281) 1.087 14.823 ( 5.759 3.610 0.501) 6.816 15.103 ( 18.117 4.849 -17.071) 25.361 15.886 ( -1.220 -1.026 0.068) 1.595 16.299 ( 22.503 11.738 -17.467) 30.810 17.485 ( -1.861 -1.091 0.031) 2.157 18.443 ( -14.354 -16.924 2.854) 22.374 18.644 ( -0.469 -2.472 -0.213) 2.525 18.654 ( 2.580 0.464 -0.782) 2.735 18.974 ( -10.205 5.210 9.861) 15.117 19.080 ( 0.967 1.474 1.209) 2.137 ======================= Grid point 139 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 9.267 5.541 2.454) 11.073 0.829 ( 16.821 3.105 3.587) 17.477 1.481 ( 15.591 10.303 0.251) 18.689 1.591 ( -0.940 1.426 1.512) 2.281 1.632 ( -0.403 3.284 -2.833) 4.356 2.086 ( -6.332 -1.323 0.169) 6.471 2.151 ( -0.884 -2.562 3.651) 4.547 2.634 ( -0.874 -3.777 8.075) 8.958 3.183 ( 26.458 16.683 -2.058) 31.347 4.210 ( -5.439 -2.855 -0.308) 6.150 5.547 ( 1.807 -0.766 0.905) 2.162 5.598 ( 3.768 2.776 0.127) 4.682 7.315 ( -3.285 -0.044 -3.156) 4.555 7.469 ( -6.073 -4.995 1.822) 8.071 8.295 ( -7.834 -3.240 0.007) 8.478 8.475 ( -17.385 -11.096 -0.796) 20.639 9.207 ( 7.301 4.767 -0.053) 8.719 9.540 ( 12.341 7.472 -7.192) 16.120 14.685 ( 2.841 2.733 -0.742) 4.011 14.712 ( -2.444 4.013 0.279) 4.707 14.998 ( 8.730 4.988 0.580) 10.071 15.291 ( 9.928 1.206 -8.357) 13.033 15.848 ( -1.516 -1.045 0.130) 1.846 16.563 ( 6.351 0.316 2.859) 6.972 17.420 ( -3.956 -2.365 0.137) 4.611 18.066 ( -9.485 -12.768 -6.476) 17.173 18.604 ( -0.955 -2.311 -0.969) 2.682 18.704 ( 2.800 0.246 -0.199) 2.818 18.953 ( -5.090 7.343 2.115) 9.182 19.139 ( 2.700 2.619 -0.181) 3.767 ======================= Grid point 140 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 11.721 7.503 -2.086) 14.072 1.098 ( 10.150 1.639 2.700) 10.630 1.570 ( -0.178 0.564 0.666) 0.891 1.655 ( -0.218 5.318 -1.757) 5.605 1.721 ( 4.327 0.578 3.546) 5.624 1.994 ( -4.206 0.473 -1.260) 4.416 2.153 ( 1.187 -1.689 4.542) 4.990 2.620 ( 1.610 -0.831 2.679) 3.234 3.932 ( 36.387 20.098 0.239) 41.569 4.043 ( -9.064 -4.344 -0.261) 10.055 5.574 ( 1.610 -0.294 0.568) 1.732 5.714 ( 5.873 3.828 0.043) 7.011 7.214 ( -8.694 -1.180 0.075) 8.774 7.346 ( -1.032 -3.742 -1.738) 4.253 7.999 ( -25.466 -9.998 0.102) 27.358 8.121 ( -6.341 -8.118 0.120) 10.302 9.372 ( 6.878 3.692 -0.024) 7.807 9.763 ( 8.817 5.829 -2.810) 10.937 14.681 ( 0.066 -1.549 -0.943) 1.814 14.816 ( 2.817 9.301 1.215) 9.794 15.182 ( 6.395 3.893 0.093) 7.488 15.421 ( 7.522 0.957 -5.049) 9.110 15.838 ( 1.019 0.401 0.800) 1.356 16.570 ( -4.249 -8.012 13.659) 16.395 17.305 ( -6.180 -3.744 0.256) 7.230 17.858 ( -0.632 -3.469 -11.768) 12.285 18.563 ( -0.611 -2.095 -1.605) 2.709 18.744 ( 1.366 0.107 0.973) 1.680 18.939 ( -3.530 4.628 -1.485) 6.007 19.207 ( 2.310 2.701 -1.271) 3.775 ======================= Grid point 141 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 8.927 6.111 -3.051) 11.240 1.229 ( 3.918 -0.232 2.012) 4.410 1.570 ( -0.744 0.394 0.121) 0.850 1.701 ( 0.447 2.984 -1.558) 3.396 1.786 ( 2.634 0.430 4.468) 5.205 1.933 ( -2.837 0.230 0.332) 2.865 2.151 ( -1.773 -3.009 3.158) 4.709 2.744 ( 10.558 4.965 -0.870) 11.699 3.776 ( -13.974 -7.406 0.537) 15.824 4.778 ( 36.697 20.000 0.858) 41.802 5.599 ( 1.416 -0.060 -0.201) 1.431 5.860 ( 6.107 3.852 0.243) 7.224 7.014 ( -10.390 -4.481 0.305) 11.319 7.344 ( -0.373 1.833 -2.204) 2.891 7.438 ( -23.236 -14.578 0.687) 27.439 7.935 ( -7.540 -5.457 0.431) 9.317 9.503 ( 4.956 2.077 0.152) 5.376 9.926 ( 5.503 3.955 -0.952) 6.844 14.669 ( 0.075 -0.536 -0.526) 0.755 14.965 ( 3.798 7.120 1.227) 8.162 15.278 ( 1.886 3.345 -1.045) 3.980 15.521 ( 5.273 0.474 -2.389) 5.809 15.868 ( -0.395 -2.091 3.109) 3.767 16.458 ( -2.570 -6.034 8.224) 10.519 17.143 ( -7.802 -4.793 0.491) 9.170 17.851 ( 3.924 1.495 -6.761) 7.959 18.532 ( 0.143 -1.602 -2.106) 2.650 18.757 ( -0.762 0.270 1.780) 1.955 18.920 ( -1.317 2.113 -2.445) 3.489 19.255 ( 1.330 2.151 -1.862) 3.140 ======================= Grid point 142 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 4.148 3.080 -0.760) 5.222 1.269 ( 0.777 -0.542 1.630) 1.886 1.559 ( -0.647 0.373 -0.393) 0.844 1.709 ( -0.241 0.068 -0.914) 0.947 1.828 ( 0.414 -0.158 0.077) 0.450 1.936 ( 0.629 1.348 1.844) 2.369 2.067 ( -3.789 -3.348 0.627) 5.095 3.043 ( 16.150 8.588 -1.009) 18.319 3.438 ( -16.416 -8.769 1.112) 18.645 5.513 ( 25.828 14.214 0.534) 29.486 5.615 ( 0.964 -0.480 -0.810) 1.348 5.940 ( -2.084 -0.292 0.434) 2.149 6.798 ( -8.480 -5.094 -2.038) 10.100 6.930 ( -14.186 -7.015 1.992) 15.951 7.430 ( 3.785 1.733 -0.409) 4.183 7.782 ( -4.883 -2.683 0.569) 5.601 9.576 ( 2.070 0.187 0.388) 2.114 10.015 ( 1.846 1.728 -0.133) 2.532 14.668 ( 0.087 0.155 -0.098) 0.203 15.059 ( 1.439 1.389 0.275) 2.019 15.348 ( 0.867 7.362 -1.800) 7.628 15.591 ( 3.607 -0.471 0.598) 3.686 15.758 ( -5.852 -8.041 2.958) 10.375 16.484 ( 3.101 0.858 1.373) 3.498 16.978 ( -5.340 -3.544 0.979) 6.483 17.914 ( 2.808 1.445 -1.442) 3.472 18.521 ( 0.958 -0.578 -2.317) 2.573 18.743 ( -1.620 0.163 1.254) 2.055 18.921 ( 0.671 0.719 -1.120) 1.491 19.282 ( 0.629 1.470 -1.596) 2.259 ======================= Grid point 143 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.946 -0.653 2.662) 2.899 1.265 ( -1.323 -0.607 1.389) 2.012 1.558 ( 0.722 0.002 -0.708) 1.012 1.691 ( -1.698 1.078 -2.067) 2.885 1.822 ( -3.262 -3.781 -0.594) 5.029 1.874 ( -0.712 -1.209 -2.003) 2.446 2.063 ( 2.002 1.599 0.202) 2.571 3.078 ( -15.754 -8.623 1.395) 18.013 3.417 ( 16.863 9.467 -0.308) 19.341 5.494 ( -26.273 -14.682 -0.721) 30.106 5.613 ( -1.034 -0.732 -1.030) 1.633 5.939 ( 1.458 1.636 0.318) 2.214 6.840 ( 5.070 2.476 0.630) 5.677 6.887 ( 17.639 8.240 -0.616) 19.479 7.454 ( -2.091 -1.076 1.226) 2.652 7.779 ( 4.085 3.704 0.372) 5.527 9.578 ( -1.201 -1.791 0.502) 2.214 10.021 ( -1.862 -0.531 0.264) 1.955 14.673 ( 0.096 0.556 0.277) 0.628 15.050 ( -1.732 -2.543 -0.410) 3.104 15.362 ( -5.034 2.427 -1.090) 5.693 15.625 ( 0.331 -4.467 2.682) 5.221 15.687 ( 3.601 2.881 -1.394) 4.818 16.458 ( -5.455 -2.999 -0.298) 6.233 16.980 ( 5.336 2.721 1.063) 6.083 17.948 ( 0.600 0.280 0.978) 1.181 18.534 ( 1.399 0.712 -1.797) 2.386 18.724 ( -0.783 -0.375 0.144) 0.880 18.943 ( 1.392 0.253 0.506) 1.503 19.292 ( -0.130 0.640 -0.903) 1.115 ======================= Grid point 144 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -8.598 -6.191 4.439) 11.487 1.220 ( -4.150 -1.087 1.338) 4.494 1.573 ( 0.354 -0.238 0.410) 0.592 1.634 ( -3.441 -0.008 -6.213) 7.103 1.704 ( -1.437 -1.923 -1.402) 2.780 1.932 ( 4.551 1.179 -0.140) 4.704 2.095 ( 0.241 0.376 -0.468) 0.647 2.771 ( -11.525 -6.581 1.049) 13.313 3.773 ( 14.193 8.292 0.331) 16.441 4.754 ( -36.186 -20.158 -0.835) 41.431 5.582 ( -1.125 -1.266 -1.237) 2.097 5.867 ( -6.561 -3.084 0.526) 7.269 6.999 ( 9.631 4.626 -0.585) 10.700 7.399 ( -2.709 -0.438 1.088) 2.952 7.427 ( 27.128 13.060 0.333) 30.110 7.940 ( 7.294 6.270 0.742) 9.647 9.506 ( -4.201 -3.594 0.390) 5.542 9.947 ( -5.122 -2.447 0.465) 5.696 14.684 ( 0.329 0.648 0.493) 0.878 14.948 ( -5.505 -4.244 -0.094) 6.951 15.285 ( -3.582 -1.508 -0.666) 3.943 15.585 ( -2.624 -1.813 0.738) 3.274 15.783 ( 2.760 2.781 -1.566) 4.220 16.340 ( -2.696 -1.650 0.209) 3.168 17.143 ( 7.703 4.316 0.466) 8.842 17.967 ( 1.109 0.747 1.653) 2.126 18.562 ( 1.379 1.347 -1.057) 2.198 18.710 ( -0.171 -0.770 -0.674) 1.038 18.971 ( 1.167 -0.141 1.149) 1.644 19.276 ( -1.670 -0.452 -0.520) 1.806 ======================= Grid point 145 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -14.421 -9.407 3.006) 17.479 1.086 ( -9.709 -4.701 1.896) 10.953 1.545 ( -0.848 0.292 -1.319) 1.595 1.617 ( 1.732 -1.739 -2.597) 3.574 1.678 ( -2.226 1.228 -1.048) 2.750 2.018 ( 2.863 2.547 -2.436) 4.541 2.081 ( 0.039 -1.858 2.346) 2.992 2.583 ( -5.168 -3.158 0.371) 6.068 3.927 ( -34.579 -19.080 -0.228) 39.495 4.053 ( 8.713 4.674 0.443) 9.897 5.545 ( -1.101 -1.040 -1.123) 1.886 5.720 ( -6.380 -3.357 0.209) 7.212 7.218 ( 9.958 5.090 0.113) 11.184 7.372 ( -0.562 0.286 0.319) 0.707 7.999 ( 25.400 10.721 -0.024) 27.570 8.131 ( 6.294 7.973 0.842) 10.193 9.374 ( -6.370 -4.840 0.136) 8.001 9.810 ( -7.338 -3.698 0.269) 8.221 14.700 ( 1.057 -0.305 0.298) 1.140 14.813 ( -6.306 -2.019 1.010) 6.698 15.172 ( -6.543 -4.702 -0.747) 8.092 15.505 ( -4.298 -2.019 -1.057) 4.865 15.814 ( 0.548 0.963 -0.608) 1.264 16.376 ( 5.135 2.295 1.435) 5.805 17.303 ( 6.201 3.510 0.168) 7.128 18.032 ( 4.421 2.415 0.538) 5.067 18.594 ( 1.318 1.204 -1.139) 2.117 18.696 ( -0.271 -0.781 -0.375) 0.907 18.979 ( -0.673 -0.615 0.800) 1.213 19.220 ( -3.428 -1.450 -0.533) 3.761 ======================= Grid point 146 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -12.916 -7.966 3.068) 15.482 0.815 ( -14.463 -9.713 2.709) 17.632 1.447 ( -14.943 -8.828 -2.728) 17.569 1.591 ( -0.060 1.141 1.798) 2.131 1.639 ( -0.831 0.545 -2.057) 2.285 2.063 ( 3.687 3.312 -1.761) 5.260 2.129 ( 3.219 0.371 2.523) 4.107 2.533 ( 0.387 -0.760 2.148) 2.311 3.207 ( -27.107 -15.058 -0.464) 31.012 4.219 ( 5.019 2.981 0.324) 5.846 5.520 ( -0.487 -0.571 -0.418) 0.859 5.601 ( -4.161 -2.447 0.062) 4.827 7.381 ( 0.917 1.584 -1.996) 2.708 7.421 ( 7.836 3.540 1.948) 8.816 8.305 ( 7.537 3.135 0.719) 8.195 8.483 ( 17.807 12.091 -0.387) 21.528 9.207 ( -7.217 -5.025 -0.054) 8.794 9.635 ( -8.239 -4.244 -1.997) 9.480 14.696 ( -0.497 -4.895 0.539) 4.950 14.731 ( -3.702 4.934 1.209) 6.286 14.982 ( -8.308 -5.661 -0.581) 10.071 15.395 ( -4.225 -3.174 -4.116) 6.698 15.842 ( 1.721 1.100 -0.271) 2.060 16.518 ( 6.339 2.359 1.436) 6.914 17.419 ( 4.011 2.285 0.051) 4.616 18.169 ( 9.145 2.418 -1.956) 9.660 18.620 ( 1.267 0.768 -1.528) 2.128 18.683 ( -0.462 -0.817 0.530) 1.078 18.934 ( -4.995 0.291 1.315) 5.173 19.138 ( -3.716 -1.740 -0.416) 4.124 ======================= Grid point 149 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 0.240 2.455 10.237) 10.530 0.523 ( -12.658 19.203 6.502) 23.901 0.883 ( 6.473 35.512 3.432) 36.260 1.573 ( 2.861 -0.896 -4.864) 5.714 1.636 ( 0.889 0.873 -1.168) 1.708 2.194 ( -1.172 -3.241 2.155) 4.065 2.229 ( 0.734 -5.197 1.288) 5.404 2.493 ( -1.926 15.113 -0.278) 15.238 2.993 ( 1.390 -12.936 10.424) 16.671 4.293 ( 0.070 -2.015 -0.079) 2.018 5.515 ( -0.487 0.797 0.191) 0.953 5.535 ( -0.766 2.032 0.107) 2.174 7.370 ( 0.433 -2.579 -2.812) 3.840 7.597 ( -0.219 -4.958 2.538) 5.574 8.450 ( -0.445 -5.405 0.327) 5.433 8.774 ( 1.373 -7.788 -4.929) 9.319 9.047 ( 1.234 6.823 -0.121) 6.935 9.166 ( -1.207 25.190 -13.567) 28.637 14.657 ( 6.547 2.927 0.968) 7.236 14.738 ( 1.408 -0.239 -0.501) 1.513 14.808 ( -0.929 6.329 -0.068) 6.397 15.015 ( -6.603 18.880 -15.098) 25.060 15.878 ( -0.342 -1.801 -0.230) 1.847 16.240 ( -0.778 25.356 -11.746) 27.956 17.486 ( -0.016 -2.123 0.043) 2.124 18.453 ( -5.847 -20.398 1.337) 21.262 18.640 ( -1.870 -0.758 -0.244) 2.032 18.656 ( -1.417 1.093 -0.013) 1.790 19.019 ( 8.709 -6.858 7.490) 13.378 19.074 ( 0.591 0.564 0.893) 1.210 ======================= Grid point 150 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 1.133 8.341 5.741) 10.189 0.720 ( 7.605 17.868 2.950) 19.642 1.365 ( 12.772 17.527 1.903) 21.770 1.591 ( 1.319 -0.661 -2.810) 3.174 1.664 ( 0.907 2.754 -0.600) 2.961 2.131 ( -1.465 -6.443 1.752) 6.836 2.178 ( -2.136 -0.627 1.991) 2.987 2.623 ( 0.493 0.300 7.961) 7.982 3.055 ( 9.299 16.497 -1.083) 18.969 4.246 ( -2.561 -3.474 -0.095) 4.317 5.521 ( 0.545 -0.211 0.743) 0.945 5.575 ( 2.295 3.577 -0.139) 4.252 7.334 ( -0.945 -0.756 -2.967) 3.204 7.507 ( -4.096 -7.389 1.881) 8.655 8.267 ( -7.830 -12.607 0.509) 14.850 8.842 ( -3.910 0.036 -3.045) 4.956 8.912 ( 1.537 -4.068 -0.003) 4.349 9.493 ( 10.198 18.323 -7.454) 22.255 14.670 ( -2.204 -1.522 0.675) 2.762 14.829 ( 0.424 7.728 2.285) 8.070 14.937 ( 6.881 7.955 0.209) 10.520 15.109 ( 7.500 8.201 -12.564) 16.774 15.849 ( -0.694 -2.115 -0.245) 2.240 16.483 ( 6.771 12.037 -1.681) 13.912 17.442 ( -1.988 -3.394 0.134) 3.936 18.074 ( -11.010 -18.716 -1.638) 21.776 18.596 ( -1.130 -2.228 -1.179) 2.763 18.676 ( 1.060 1.917 -0.202) 2.200 19.074 ( -1.039 1.880 0.910) 2.333 19.119 ( 2.820 0.828 1.151) 3.156 ======================= Grid point 151 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 6.246 12.081 -0.323) 13.604 1.025 ( 7.572 12.341 2.349) 14.668 1.582 ( 0.250 1.286 -0.951) 1.619 1.617 ( 5.397 0.289 0.315) 5.414 1.727 ( 1.464 5.067 2.085) 5.672 2.067 ( -1.929 -0.309 -1.254) 2.321 2.177 ( -0.953 3.468 3.401) 4.950 2.594 ( -0.672 -5.670 5.655) 8.036 3.605 ( 26.469 26.580 -0.966) 37.524 4.131 ( -6.229 -5.119 0.058) 8.063 5.532 ( 1.434 -1.517 0.232) 2.100 5.675 ( 4.280 5.181 0.216) 6.723 7.309 ( -2.215 1.347 -1.471) 2.980 7.341 ( -5.331 -8.057 0.022) 9.661 7.967 ( -8.735 -21.194 0.554) 22.930 8.558 ( -24.623 9.130 -0.303) 26.263 9.068 ( 17.944 -12.950 -1.034) 22.153 9.776 ( 6.084 15.937 -3.124) 17.343 14.617 ( -0.204 -4.690 -0.280) 4.702 14.929 ( -0.277 10.944 2.638) 11.261 15.150 ( 6.737 10.076 -0.367) 12.127 15.277 ( 8.922 4.627 -6.902) 12.192 15.821 ( 0.297 -1.563 0.026) 1.591 16.602 ( -1.299 -4.449 12.458) 13.292 17.350 ( -4.189 -4.946 0.286) 6.488 17.794 ( -2.904 -5.547 -11.336) 12.950 18.548 ( -1.007 -2.500 -1.371) 3.024 18.716 ( 1.783 1.186 -0.108) 2.144 19.048 ( -4.040 2.469 -1.250) 4.896 19.181 ( 2.835 1.371 -0.406) 3.175 ======================= Grid point 152 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 7.211 11.334 -2.958) 13.755 1.209 ( 2.592 5.728 2.128) 6.638 1.585 ( -0.335 0.599 -0.494) 0.846 1.671 ( 2.538 -2.259 0.216) 3.405 1.806 ( 1.492 4.023 4.367) 6.122 2.037 ( -3.582 4.692 -2.849) 6.554 2.207 ( -4.228 4.694 4.570) 7.797 2.624 ( 7.473 0.836 0.520) 7.538 3.927 ( -10.961 -6.373 0.694) 12.698 4.370 ( 33.586 22.061 0.485) 40.187 5.542 ( 2.369 -2.832 -0.592) 3.739 5.816 ( 5.261 6.138 0.533) 8.102 7.112 ( -8.742 -9.273 0.372) 12.749 7.348 ( 0.745 5.364 -1.768) 5.696 7.551 ( -13.344 -24.570 0.213) 27.961 8.238 ( -22.448 8.155 0.691) 23.893 9.224 ( 16.084 -13.783 -0.730) 21.194 9.986 ( 2.318 14.192 -0.967) 14.412 14.575 ( 2.264 -7.157 -0.305) 7.513 15.057 ( 0.817 11.552 2.405) 11.827 15.321 ( 1.305 10.333 -1.203) 10.484 15.424 ( 6.136 3.139 -3.220) 7.608 15.847 ( 2.899 -0.570 1.476) 3.303 16.483 ( -6.068 -11.603 11.846) 17.658 17.207 ( -6.161 -6.635 0.451) 9.065 17.773 ( 4.491 4.465 -9.532) 11.444 18.505 ( -0.351 -2.540 -1.658) 3.053 18.753 ( 1.341 0.535 0.530) 1.538 18.987 ( -4.277 1.830 -2.482) 5.273 19.231 ( 2.265 0.660 -1.376) 2.731 ======================= Grid point 153 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 4.641 8.083 -1.546) 9.448 1.267 ( 0.197 1.110 1.886) 2.197 1.573 ( -1.056 -0.195 -0.815) 1.348 1.679 ( 1.745 -2.565 -0.163) 3.106 1.901 ( 1.686 5.656 2.251) 6.317 2.010 ( -4.993 7.030 -1.695) 8.788 2.142 ( -8.396 1.918 2.769) 9.046 2.869 ( 14.329 8.760 -0.562) 16.803 3.638 ( -15.361 -7.298 0.996) 17.035 5.136 ( 33.115 15.161 0.794) 36.429 5.551 ( 2.877 -3.780 -1.126) 4.882 5.954 ( 2.884 4.422 0.933) 5.361 6.867 ( -9.305 -9.450 -1.429) 13.339 7.039 ( -14.309 -22.234 0.658) 26.448 7.469 ( 1.601 11.620 -0.628) 11.747 7.973 ( -16.409 4.745 1.245) 17.126 9.331 ( 13.351 -15.323 -0.364) 20.327 10.121 ( -1.579 12.172 0.008) 12.273 14.551 ( 4.274 -8.716 -0.085) 9.708 15.178 ( -2.115 11.803 0.744) 12.014 15.399 ( -0.307 6.466 1.480) 6.640 15.530 ( 4.322 3.098 -2.503) 5.878 15.819 ( -6.044 -4.787 3.083) 8.303 16.416 ( 4.299 -2.728 3.326) 6.082 17.026 ( -6.360 -7.682 0.728) 10.000 17.882 ( 4.011 5.737 -3.112) 7.660 18.477 ( 1.032 -2.267 -2.389) 3.451 18.770 ( -0.457 -0.019 1.402) 1.474 18.935 ( -1.957 1.443 -2.348) 3.380 19.260 ( 1.742 -0.298 -1.580) 2.371 ======================= Grid point 154 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.220 4.080 1.973) 4.538 1.278 ( 0.215 0.054 1.375) 1.392 1.546 ( -0.408 -1.146 -1.375) 1.835 1.684 ( 1.268 -1.137 -1.208) 2.088 1.925 ( -5.515 -1.606 -0.440) 5.761 1.996 ( -7.847 12.884 -0.288) 15.088 2.054 ( -1.625 3.939 0.164) 4.264 3.229 ( 14.538 8.737 0.066) 16.962 3.289 ( -15.500 -5.748 0.907) 16.556 5.547 ( 1.575 -5.008 -1.293) 5.407 5.642 ( 4.940 -3.492 0.129) 6.051 5.936 ( -2.241 0.803 0.146) 2.385 6.670 ( 5.245 -5.372 0.164) 7.509 6.786 ( 0.104 -6.551 -0.292) 6.558 7.587 ( -5.444 11.932 0.583) 13.128 7.833 ( -3.395 6.623 0.964) 7.504 9.369 ( 10.098 -17.295 -0.124) 20.027 10.169 ( -5.523 9.827 0.447) 11.282 14.548 ( 5.615 -9.031 0.104) 10.635 15.192 ( -7.753 8.248 -0.532) 11.332 15.450 ( -1.046 -1.636 6.268) 6.562 15.606 ( 0.737 5.384 -3.225) 6.319 15.687 ( -2.571 1.235 -1.044) 3.037 16.479 ( 0.038 -2.229 0.040) 2.230 16.912 ( 2.162 -3.766 1.071) 4.473 17.962 ( 0.370 3.817 0.092) 3.836 18.480 ( 2.874 -1.329 -3.176) 4.484 18.749 ( -1.972 -0.528 1.396) 2.473 18.936 ( 0.663 1.690 -0.416) 1.862 19.274 ( 1.421 -1.126 -1.102) 2.122 ======================= Grid point 155 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -5.955 -1.043 4.313) 7.426 1.292 ( -1.253 2.599 1.059) 3.074 1.533 ( 1.556 -1.869 -2.499) 3.487 1.689 ( 0.724 -0.173 -1.775) 1.925 1.740 ( -10.187 -2.383 -0.315) 10.467 2.020 ( -4.935 13.002 1.081) 13.949 2.094 ( -0.016 4.201 -2.217) 4.750 2.926 ( -15.150 -8.271 0.491) 17.268 3.609 ( 15.289 9.342 0.619) 17.928 5.134 ( -30.805 -19.350 -1.190) 36.397 5.549 ( 1.016 -3.787 -1.389) 4.160 5.954 ( -4.468 -0.518 0.500) 4.526 6.854 ( 9.706 0.574 -0.200) 9.725 6.996 ( 28.167 1.878 1.204) 28.255 7.514 ( -8.586 3.864 0.653) 9.438 7.999 ( 4.193 18.073 0.558) 18.561 9.333 ( 6.828 -19.344 -0.118) 20.514 10.131 ( -9.074 7.299 0.605) 11.661 14.564 ( 5.999 -8.138 0.145) 10.111 15.088 ( -9.014 0.847 2.160) 9.307 15.395 ( -6.528 3.359 2.461) 7.743 15.617 ( -1.758 1.577 -1.570) 2.836 15.757 ( 3.364 5.503 -2.996) 7.111 16.364 ( -4.871 -6.178 -0.046) 7.867 17.028 ( 9.393 1.518 0.477) 9.527 17.981 ( -0.967 2.142 -0.061) 2.351 18.514 ( 3.471 -0.419 -3.464) 4.921 18.718 ( -1.491 -0.769 1.722) 2.404 18.974 ( 0.912 2.257 1.311) 2.765 19.273 ( 0.446 -1.893 -0.572) 2.027 ======================= Grid point 156 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -14.065 -3.721 2.974) 14.849 1.252 ( -8.009 1.937 0.690) 8.269 1.534 ( 2.109 -2.254 -3.016) 4.316 1.607 ( -3.908 1.256 1.719) 4.450 1.694 ( 0.435 0.108 -0.782) 0.901 2.079 ( -1.637 7.249 3.385) 8.166 2.097 ( -3.574 5.536 -3.685) 7.550 2.642 ( -8.364 -7.532 -0.074) 11.256 3.922 ( 12.167 5.798 0.836) 13.504 4.367 ( -36.234 -16.655 -0.834) 39.887 5.527 ( 0.576 -2.317 -1.294) 2.715 5.821 ( -8.074 -1.954 0.241) 8.311 7.065 ( 12.110 2.254 1.073) 12.365 7.421 ( -3.297 1.861 -0.224) 3.792 7.518 ( 28.067 -1.210 0.706) 28.102 8.279 ( 3.845 24.125 0.242) 24.431 9.225 ( 4.192 -21.144 -0.268) 21.558 10.014 ( -11.730 4.785 0.381) 12.675 14.590 ( 5.227 -6.335 0.162) 8.214 14.961 ( -7.622 0.083 4.753) 8.983 15.307 ( -9.747 4.024 -0.206) 10.547 15.561 ( -4.482 -0.053 -3.578) 5.735 15.812 ( 0.395 1.034 -1.170) 1.611 16.300 ( 3.527 -2.520 0.931) 4.433 17.205 ( 8.608 1.881 0.125) 8.812 17.991 ( 1.224 1.448 -3.244) 3.758 18.552 ( 2.905 -0.094 -3.445) 4.508 18.700 ( -0.865 -0.728 2.380) 2.635 19.014 ( -0.278 2.910 2.558) 3.884 19.242 ( -1.423 -2.477 -0.418) 2.887 ======================= Grid point 157 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -16.914 -3.202 1.683) 17.297 1.048 ( -16.094 -1.399 -0.370) 16.159 1.536 ( -1.524 0.960 -0.596) 1.897 1.604 ( 0.615 0.084 0.640) 0.892 1.681 ( -3.036 -0.211 1.339) 3.325 2.058 ( -1.269 0.965 -0.704) 1.742 2.134 ( -1.260 5.055 1.940) 5.559 2.514 ( -0.416 -3.757 0.905) 3.886 3.622 ( -34.822 -9.158 -0.373) 36.008 4.135 ( 8.035 2.051 0.513) 8.309 5.515 ( 0.198 -0.486 -0.757) 0.921 5.676 ( -6.774 -1.271 0.061) 6.892 7.292 ( 11.085 1.685 2.128) 11.412 7.382 ( -1.172 0.711 -2.170) 2.567 7.949 ( 23.461 -3.172 0.873) 23.691 8.595 ( 3.931 26.299 -0.281) 26.593 9.067 ( 2.780 -22.465 -0.430) 22.641 9.835 ( -13.295 2.293 -1.063) 13.533 14.620 ( 3.763 -3.406 0.735) 5.128 14.873 ( -6.087 0.797 5.273) 8.093 15.132 ( -12.506 0.722 -0.560) 12.539 15.440 ( -6.198 -0.832 -7.469) 9.742 15.821 ( 1.207 0.057 -0.312) 1.248 16.413 ( 8.172 -0.252 3.760) 8.999 17.348 ( 6.375 1.064 0.059) 6.463 18.025 ( 4.952 0.206 -8.738) 10.045 18.584 ( 2.364 0.215 -2.705) 3.599 18.690 ( -0.882 -0.511 2.188) 2.414 19.037 ( -2.320 3.113 4.208) 5.725 19.177 ( -3.015 -2.181 -0.418) 3.745 ======================= Grid point 160 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -1.117 8.385 5.482) 10.080 0.900 ( -6.453 17.748 7.282) 20.240 1.306 ( -15.082 19.754 0.221) 24.855 1.515 ( -1.038 -2.330 -5.175) 5.769 1.619 ( 0.805 0.378 0.447) 0.995 2.104 ( 3.480 -7.813 1.082) 8.621 2.204 ( 0.697 0.002 2.733) 2.820 2.708 ( -0.777 0.883 8.601) 8.681 3.003 ( -10.144 17.751 -1.698) 20.515 4.242 ( 2.765 -3.820 -0.186) 4.719 5.557 ( -2.632 1.197 0.950) 3.043 5.566 ( -0.406 2.492 -0.144) 2.529 7.309 ( 2.104 -2.784 -2.883) 4.527 7.526 ( 3.106 -5.630 1.637) 6.635 8.263 ( 8.514 -13.186 0.435) 15.702 8.836 ( -0.624 -1.640 -3.242) 3.686 8.904 ( 2.304 -1.170 -0.160) 2.589 9.487 ( -9.907 17.244 -7.094) 21.115 14.610 ( 0.934 1.677 0.476) 1.978 14.717 ( 0.821 -0.259 -0.894) 1.241 14.951 ( -6.220 9.122 0.533) 11.053 15.240 ( -6.970 9.830 -8.306) 14.636 15.854 ( 0.778 -2.239 -0.061) 2.371 16.532 ( -8.881 15.576 -3.074) 18.191 17.444 ( 1.924 -3.294 0.158) 3.818 18.224 ( 9.330 -15.571 -5.792) 19.054 18.662 ( 0.685 -0.491 0.097) 0.848 18.699 ( -1.665 2.015 0.150) 2.619 18.835 ( 3.205 -5.437 4.924) 8.005 19.105 ( -1.564 2.010 -0.351) 2.571 ======================= Grid point 161 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -0.209 9.467 4.067) 10.306 0.934 ( -7.627 16.673 5.708) 19.202 1.416 ( 1.965 15.241 0.716) 15.384 1.514 ( 4.063 -0.425 -5.180) 6.597 1.655 ( 1.917 2.230 0.875) 3.068 2.061 ( 1.083 -8.010 1.332) 8.192 2.198 ( -1.115 -1.220 2.491) 2.989 2.700 ( -3.104 -3.441 8.347) 9.547 3.164 ( 1.525 30.806 -2.487) 30.944 4.223 ( 0.283 -5.421 -0.005) 5.429 5.535 ( -1.502 0.309 1.247) 1.976 5.593 ( 0.365 4.574 -0.644) 4.633 7.304 ( 1.551 -1.845 -2.552) 3.510 7.477 ( -1.193 -8.465 1.164) 8.627 8.323 ( 0.023 -7.624 0.541) 7.643 8.462 ( 0.678 -20.038 -0.878) 20.069 9.205 ( -0.511 8.887 -0.117) 8.902 9.486 ( 0.801 17.203 -6.937) 18.566 14.715 ( -1.763 -0.546 0.407) 1.890 14.757 ( 9.997 4.983 1.108) 11.225 14.971 ( -0.952 9.566 -0.207) 9.615 15.184 ( -5.947 10.372 -8.055) 14.416 15.840 ( -0.203 -1.468 0.048) 1.482 16.589 ( -2.474 14.417 2.119) 14.780 17.422 ( -0.080 -4.511 0.180) 4.516 18.020 ( -5.604 -19.548 -5.973) 21.195 18.596 ( -2.349 -2.905 0.014) 3.736 18.700 ( -0.954 2.670 -0.074) 2.837 18.979 ( 9.409 -2.453 1.499) 9.838 19.120 ( 0.275 3.068 -0.769) 3.175 ======================= Grid point 162 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 2.498 12.963 0.028) 13.201 1.086 ( 2.819 14.752 3.462) 15.412 1.544 ( 3.175 -0.141 -0.702) 3.255 1.567 ( 3.028 2.535 -1.724) 4.309 1.736 ( 3.006 2.897 2.541) 4.887 2.033 ( 2.554 -3.294 -0.589) 4.210 2.205 ( 2.029 1.165 2.819) 3.664 2.622 ( -4.758 -3.756 5.842) 8.418 3.596 ( 10.149 36.171 -1.281) 37.590 4.143 ( -2.261 -7.307 0.115) 7.649 5.518 ( -0.968 -0.632 0.700) 1.352 5.672 ( 2.698 6.484 -0.156) 7.025 7.313 ( 1.549 -0.903 -1.264) 2.193 7.340 ( -4.211 -8.548 -0.255) 9.532 7.974 ( -14.364 -18.261 0.887) 23.251 8.576 ( 19.941 -15.676 -1.056) 25.387 9.055 ( -20.757 9.353 -0.308) 22.769 9.768 ( 10.638 14.184 -3.236) 18.023 14.632 ( -5.422 -2.329 0.136) 5.903 14.982 ( 7.409 6.127 2.380) 9.904 15.124 ( 6.961 9.573 -0.685) 11.856 15.213 ( 1.887 10.485 -5.991) 12.222 15.817 ( -1.320 -0.532 -0.045) 1.424 16.668 ( -3.083 -0.065 12.564) 12.937 17.353 ( -2.225 -5.840 0.292) 6.257 17.745 ( -3.785 -7.008 -11.373) 13.885 18.536 ( -1.361 -2.954 -0.720) 3.331 18.718 ( 0.090 2.353 0.054) 2.355 19.061 ( 3.158 -2.251 -1.996) 4.362 19.154 ( 0.927 2.359 -0.815) 2.662 ======================= Grid point 163 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 4.554 13.708 -2.872) 14.728 1.254 ( 1.338 7.310 2.205) 7.752 1.570 ( 1.984 -1.008 -1.341) 2.599 1.614 ( 1.447 -1.084 0.251) 1.825 1.820 ( 2.569 1.820 4.976) 5.888 2.063 ( 1.777 1.685 -2.575) 3.553 2.352 ( 6.719 10.153 2.618) 12.453 2.540 ( -2.702 -1.748 2.832) 4.287 4.001 ( -4.789 -8.463 0.170) 9.725 4.170 ( 17.611 30.570 0.275) 35.281 5.494 ( -0.384 -2.052 0.000) 2.088 5.802 ( 4.269 7.293 0.175) 8.452 7.136 ( -6.222 -11.683 0.289) 13.240 7.381 ( 2.682 6.432 -1.517) 7.132 7.531 ( -13.913 -23.783 0.649) 27.562 8.691 ( -5.626 -3.292 -0.641) 6.549 8.809 ( 0.088 -4.549 -0.008) 4.549 10.040 ( 6.852 12.499 -1.215) 14.306 14.518 ( -3.329 -4.916 -0.173) 5.939 15.136 ( 2.501 7.881 2.277) 8.576 15.322 ( 6.983 8.382 -3.935) 11.598 15.406 ( 6.465 10.661 0.432) 12.476 15.797 ( 0.585 -0.446 -0.243) 0.774 16.547 ( -8.776 -12.672 13.715) 20.633 17.231 ( -4.741 -7.537 0.573) 8.923 17.711 ( 4.218 6.955 -10.490) 13.275 18.482 ( -1.033 -3.248 -0.820) 3.506 18.747 ( 0.739 1.764 0.362) 1.947 19.039 ( -1.692 -0.864 -3.993) 4.422 19.189 ( 1.896 0.187 -0.906) 2.110 ======================= Grid point 164 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.136 11.289 -2.228) 12.227 1.297 ( -1.226 1.158 1.597) 2.322 1.579 ( -0.359 -0.352 -1.790) 1.859 1.610 ( 2.219 -3.861 0.629) 4.497 1.905 ( 2.667 2.598 2.855) 4.692 2.083 ( -0.853 1.188 -0.541) 1.560 2.443 ( -10.569 15.144 1.279) 18.512 2.701 ( 15.550 7.238 0.809) 17.171 3.793 ( -10.142 -8.158 0.733) 13.036 4.792 ( 24.964 20.462 0.560) 32.283 5.471 ( 1.024 -3.319 -0.543) 3.515 5.947 ( 4.113 6.089 0.509) 7.366 6.910 ( -7.314 -10.651 -0.424) 12.927 7.040 ( -14.507 -25.169 0.314) 29.052 7.533 ( 4.690 12.108 -0.704) 13.004 8.392 ( -23.511 6.368 0.894) 24.374 8.903 ( 16.278 -17.471 -0.624) 23.887 10.231 ( 2.479 10.752 -0.215) 11.036 14.431 ( 0.012 -6.727 -0.136) 6.728 15.264 ( 2.846 7.482 1.544) 8.153 15.476 ( 2.762 3.187 -1.365) 4.433 15.538 ( -1.505 10.935 0.167) 11.039 15.840 ( 2.388 -0.753 0.762) 2.617 16.359 ( -2.384 -7.136 6.417) 9.889 17.053 ( -6.476 -9.365 0.690) 11.407 17.861 ( 5.570 9.561 -4.016) 11.771 18.432 ( -0.308 -3.692 -1.264) 3.915 18.776 ( 0.528 0.927 0.975) 1.445 18.978 ( -2.616 0.366 -3.754) 4.590 19.210 ( 1.952 -1.576 -1.415) 2.880 ======================= Grid point 165 (81/226) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.405 7.673 1.103) 7.878 1.280 ( -0.466 -0.828 0.826) 1.259 1.535 ( -1.240 -2.780 -1.776) 3.525 1.630 ( 2.657 -1.723 -0.615) 3.226 1.971 ( 0.950 1.977 -0.318) 2.217 2.044 ( -2.928 -1.590 1.151) 3.525 2.424 ( -12.853 21.058 -0.012) 24.670 3.061 ( 15.662 9.359 0.528) 18.253 3.506 ( -15.031 -6.703 0.676) 16.472 5.379 ( 23.524 9.393 0.454) 25.334 5.459 ( 2.032 -4.085 -0.787) 4.630 5.996 ( -3.878 -2.729 0.261) 4.749 6.606 ( -7.083 -13.340 0.149) 15.105 6.728 ( -3.104 -9.525 -0.526) 10.032 7.765 ( 4.365 18.203 -0.076) 18.719 8.077 ( -19.131 4.159 1.210) 19.615 8.975 ( 13.766 -19.901 -0.372) 24.201 10.330 ( -1.971 8.523 0.234) 8.751 14.388 ( 3.003 -7.118 -0.071) 7.726 15.363 ( -3.004 4.844 -1.934) 6.019 15.438 ( -0.315 -4.089 6.468) 7.659 15.658 ( 1.415 10.770 -3.101) 11.297 15.795 ( -6.285 2.021 0.605) 6.629 16.419 ( 5.983 1.373 0.973) 6.215 16.859 ( -3.708 -9.809 0.898) 10.525 18.006 ( 1.497 7.752 -0.124) 7.896 18.398 ( 2.036 -3.616 -2.487) 4.838 18.779 ( -1.185 -0.427 1.126) 1.689 18.950 ( -0.386 2.272 -1.555) 2.781 19.217 ( 2.211 -2.746 -1.404) 3.795 ======================= Grid point 166 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -3.737 0.960 3.820) 5.430 1.311 ( 2.092 3.093 0.327) 3.748 1.481 ( -0.043 -3.461 -2.598) 4.328 1.653 ( 1.887 -0.841 -1.321) 2.452 1.894 ( -8.721 -1.070 1.392) 8.896 2.049 ( 2.288 0.553 -0.348) 2.380 2.415 ( -13.032 22.236 -0.924) 25.790 3.115 ( -15.580 -9.596 -0.021) 18.298 3.453 ( 13.203 9.281 0.945) 16.166 5.381 ( -15.455 -11.790 -0.992) 19.464 5.489 ( -1.859 -5.537 -0.969) 5.921 5.966 ( 5.048 1.062 0.133) 5.160 6.614 ( 14.904 -1.768 1.596) 15.093 6.698 ( 7.253 -1.904 -0.394) 7.509 7.771 ( -16.055 4.788 0.815) 16.774 8.100 ( 6.517 19.792 0.098) 20.837 8.974 ( 10.481 -22.095 -0.265) 24.457 10.332 ( -6.191 5.799 0.391) 8.491 14.393 ( 5.142 -6.004 -0.095) 7.906 15.228 ( -7.784 -4.326 3.403) 9.533 15.501 ( 1.493 2.290 3.192) 4.203 15.699 ( -5.546 5.531 -2.134) 8.118 15.780 ( -0.220 8.473 -3.466) 9.157 16.398 ( -6.457 -5.510 0.059) 8.488 16.861 ( 10.054 -1.974 0.446) 10.256 18.045 ( -3.115 3.862 0.060) 4.962 18.420 ( 4.612 -1.542 -3.172) 5.806 18.749 ( -1.813 -0.762 1.557) 2.508 18.987 ( 1.208 3.305 0.673) 3.583 19.221 ( 2.227 -3.222 -0.977) 4.037 ======================= Grid point 167 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -8.822 -1.009 2.203) 9.149 1.342 ( -1.872 -0.198 -0.975) 2.120 1.474 ( 2.547 0.381 -0.014) 2.576 1.661 ( 0.464 -1.183 -2.033) 2.398 1.746 ( -7.806 0.945 3.596) 8.646 2.086 ( 1.299 0.267 0.150) 1.334 2.406 ( -11.957 19.399 -1.239) 22.821 2.735 ( -14.464 -12.031 -0.361) 18.817 3.760 ( 13.300 4.373 1.055) 14.040 4.804 ( -31.290 -10.506 -1.203) 33.029 5.480 ( 1.881 -1.476 -0.978) 2.583 5.939 ( -6.573 -0.931 0.206) 6.642 6.876 ( 12.171 1.129 0.992) 12.263 7.015 ( 28.577 -0.117 1.245) 28.604 7.569 ( -10.832 1.266 -0.213) 10.908 8.430 ( 6.412 23.667 -0.292) 24.522 8.898 ( 7.273 -23.560 -0.325) 24.659 10.240 ( -9.726 2.776 0.296) 10.119 14.441 ( 5.984 -3.602 -0.137) 6.986 15.093 ( -6.571 -2.249 6.293) 9.372 15.515 ( -5.382 3.466 1.661) 6.613 15.628 ( -5.938 2.608 -4.210) 7.732 15.821 ( -0.840 2.671 -2.522) 3.768 16.245 ( -2.019 -4.685 0.409) 5.118 17.049 ( 11.093 0.421 -0.046) 11.101 18.005 ( -3.014 1.094 -2.910) 4.329 18.478 ( 4.060 0.112 -2.871) 4.973 18.725 ( -1.271 -0.420 2.370) 2.722 19.047 ( 1.185 3.020 1.635) 3.633 19.216 ( 0.981 -2.737 -0.585) 2.966 ======================= Grid point 168 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -15.711 -0.985 -0.779) 15.761 1.241 ( -8.025 -2.495 -1.055) 8.470 1.543 ( 1.952 2.965 2.106) 4.127 1.622 ( -1.654 -0.732 -0.032) 1.809 1.712 ( -1.002 0.980 2.960) 3.275 2.091 ( -1.107 0.134 0.524) 1.232 2.308 ( -13.052 1.625 0.364) 13.158 2.501 ( -2.213 -0.913 -0.440) 2.434 3.987 ( 10.566 -0.619 0.795) 10.614 4.176 ( -35.125 0.029 -0.578) 35.130 5.501 ( 1.246 0.928 -0.578) 1.657 5.798 ( -8.217 -0.373 0.111) 8.226 7.107 ( 12.704 0.521 1.783) 12.839 7.427 ( -4.805 -1.087 -1.688) 5.207 7.508 ( 26.868 0.842 0.987) 26.899 8.713 ( 6.262 -8.876 -0.872) 10.897 8.813 ( 3.915 8.247 -0.277) 9.134 10.063 ( -12.368 -0.334 -0.348) 12.378 14.521 ( 5.602 -0.185 0.000) 5.605 15.002 ( -6.410 -0.825 6.891) 9.448 15.375 ( -13.201 0.975 0.027) 13.237 15.514 ( -6.207 0.113 -6.740) 9.164 15.807 ( -0.135 -0.123 -0.389) 0.430 16.286 ( 7.406 -0.477 4.071) 8.464 17.222 ( 8.973 -0.066 -0.009) 8.973 17.954 ( -0.683 -0.026 -7.698) 7.729 18.530 ( 2.976 0.641 -2.413) 3.885 18.715 ( -0.965 0.137 2.278) 2.478 19.084 ( 0.241 -0.274 1.484) 1.528 19.198 ( -1.163 0.112 -0.014) 1.168 ======================= Grid point 171 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.537 12.043 0.104) 13.255 1.160 ( -2.485 13.348 4.925) 14.443 1.526 ( -4.831 -1.732 -3.653) 6.299 1.560 ( -1.817 1.038 -0.219) 2.104 1.696 ( -6.049 5.176 2.891) 8.470 2.001 ( 1.923 -2.434 -0.598) 3.159 2.225 ( 0.565 4.399 3.460) 5.625 2.657 ( 3.071 -3.743 5.195) 7.101 3.604 ( -28.123 27.967 -0.700) 39.667 4.117 ( 6.316 -5.907 -0.121) 8.649 5.572 ( -0.280 -0.765 0.831) 1.163 5.660 ( -4.652 4.898 -0.200) 6.758 7.215 ( 3.507 -5.670 -0.939) 6.733 7.421 ( 4.089 -1.800 -0.611) 4.509 7.945 ( 9.223 -21.876 0.741) 23.753 8.572 ( 24.080 9.735 -1.129) 25.998 9.068 ( -18.545 -12.690 -0.292) 22.473 9.761 ( -6.188 15.413 -3.237) 16.922 14.615 ( -1.526 -4.877 0.668) 5.154 14.740 ( -3.008 4.033 -0.075) 5.032 15.168 ( -5.926 11.311 0.913) 12.802 15.387 ( -4.620 6.934 -5.461) 9.963 15.822 ( -0.139 -1.748 -0.110) 1.757 16.728 ( 0.695 3.265 12.065) 12.518 17.355 ( 4.175 -4.633 0.305) 6.245 17.902 ( 8.116 -4.944 -13.967) 16.893 18.614 ( 3.750 0.613 -0.241) 3.807 18.737 ( -1.409 -1.362 2.835) 3.447 18.828 ( -3.798 -2.228 -2.544) 5.085 19.152 ( -2.480 0.892 -1.049) 2.837 ======================= Grid point 172 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -2.530 13.145 -0.024) 13.386 1.236 ( -5.857 9.758 6.346) 13.031 1.453 ( -1.096 1.157 -5.398) 5.628 1.535 ( -2.638 3.474 0.522) 4.393 1.684 ( -1.666 3.936 2.748) 5.081 1.987 ( 0.108 -3.604 -0.072) 3.606 2.244 ( -3.444 1.990 2.498) 4.697 2.684 ( 2.161 -4.710 4.787) 7.055 3.594 ( -10.750 38.071 -0.511) 39.563 4.130 ( 2.959 -7.716 0.100) 8.264 5.560 ( -0.391 -1.080 0.764) 1.380 5.655 ( -2.173 6.427 -0.399) 6.796 7.219 ( 3.688 -5.534 -0.780) 6.696 7.420 ( -0.373 -4.238 -0.697) 4.312 7.956 ( 15.048 -18.755 0.484) 24.051 8.578 ( -20.046 -15.100 -0.114) 25.097 9.068 ( 20.651 10.144 -1.116) 23.035 9.750 ( -10.398 13.836 -2.943) 17.556 14.626 ( 5.763 -1.474 0.262) 5.955 14.769 ( 0.353 5.963 2.190) 6.362 15.157 ( -8.483 10.375 0.258) 13.404 15.343 ( -5.583 7.020 -5.619) 10.584 15.819 ( 1.444 -0.702 0.261) 1.626 16.787 ( -3.447 4.741 11.100) 12.553 17.358 ( 1.950 -5.565 0.265) 5.903 17.843 ( 1.319 -10.983 -15.054) 18.682 18.611 ( -2.639 -3.959 0.230) 4.764 18.739 ( 0.535 0.721 2.791) 2.932 18.825 ( 5.224 1.490 -2.048) 5.805 19.142 ( -0.163 1.997 -0.926) 2.207 ======================= Grid point 173 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -0.300 14.003 -2.265) 14.189 1.245 ( -4.764 9.749 5.364) 12.104 1.472 ( 3.788 0.819 -4.580) 5.999 1.549 ( 0.706 0.754 1.721) 2.007 1.726 ( 1.620 1.626 3.111) 3.866 1.955 ( 1.221 -3.358 -0.081) 3.574 2.210 ( -1.557 -0.281 2.733) 3.158 2.675 ( -1.509 -0.725 2.749) 3.218 3.915 ( -0.685 42.256 -0.180) 42.262 4.069 ( 0.707 -10.143 0.351) 10.174 5.545 ( -1.281 0.042 0.674) 1.448 5.711 ( 0.683 7.659 -0.237) 7.693 7.216 ( 3.191 -8.867 0.198) 9.426 7.342 ( -2.672 -1.769 -1.939) 3.745 7.998 ( 1.919 -26.473 0.139) 26.543 8.164 ( -1.490 -9.059 0.419) 9.191 9.379 ( -0.994 8.563 0.014) 8.620 9.736 ( 1.114 12.446 -2.775) 12.800 14.697 ( -0.200 -0.802 -0.387) 0.913 14.896 ( 6.625 6.552 3.094) 9.818 15.139 ( -0.742 7.321 -0.202) 7.362 15.315 ( -3.527 8.503 -4.870) 10.414 15.843 ( -0.212 1.767 1.035) 2.059 16.782 ( -4.758 -4.932 14.031) 15.616 17.316 ( -0.235 -6.040 0.309) 6.053 17.684 ( -1.647 -2.190 -14.840) 15.091 18.533 ( -2.017 -3.501 0.066) 4.041 18.752 ( -0.891 2.214 0.636) 2.470 18.932 ( 6.679 -1.949 -1.994) 7.238 19.164 ( 0.533 2.147 -1.460) 2.651 ======================= Grid point 174 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 2.498 13.930 -4.052) 14.721 1.317 ( -0.076 5.743 3.463) 6.706 1.516 ( 2.259 -0.323 -1.600) 2.787 1.579 ( 1.952 -1.098 -0.033) 2.240 1.803 ( 3.627 1.705 4.992) 6.402 1.992 ( 5.971 -0.390 -1.988) 6.305 2.238 ( 5.700 -2.173 3.991) 7.290 2.666 ( -3.311 7.139 0.828) 7.913 3.940 ( -0.941 -12.371 -0.154) 12.407 4.361 ( 3.053 39.322 0.671) 39.446 5.515 ( -2.590 -0.019 0.567) 2.652 5.819 ( 2.631 8.136 -0.086) 8.552 7.097 ( -3.209 -13.285 0.252) 13.669 7.364 ( 3.630 4.631 -2.024) 6.223 7.562 ( -14.771 -23.780 1.021) 28.013 8.267 ( 17.423 -14.664 -0.671) 22.782 9.228 ( -20.732 7.880 0.363) 22.182 9.987 ( 11.215 9.895 -1.360) 15.018 14.588 ( -8.246 -2.030 -0.286) 8.497 15.117 ( 9.255 5.432 1.849) 10.890 15.288 ( 6.355 8.730 -0.550) 10.812 15.366 ( 3.816 6.897 -2.392) 8.238 15.841 ( -2.947 2.125 1.044) 3.780 16.624 ( -8.259 -13.654 11.550) 19.699 17.227 ( -3.087 -7.460 0.862) 8.119 17.684 ( 3.171 9.759 -9.957) 14.298 18.470 ( -1.527 -3.486 0.017) 3.805 18.765 ( -0.280 1.956 0.695) 2.095 18.981 ( 3.361 -2.697 -3.972) 5.860 19.179 ( 0.011 1.013 -1.512) 1.820 ======================= Grid point 175 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 3.595 11.914 -3.483) 12.923 1.339 ( -2.066 0.565 1.413) 2.566 1.539 ( 2.029 -1.745 0.923) 2.831 1.572 ( -0.251 -2.363 -1.490) 2.804 1.898 ( 2.410 2.273 3.049) 4.502 2.078 ( 2.507 0.877 -0.444) 2.693 2.437 ( 17.438 -1.297 2.319) 17.640 2.737 ( -2.378 17.313 0.452) 17.482 3.791 ( -1.881 -13.141 0.205) 13.276 4.786 ( 5.938 31.249 0.491) 31.812 5.465 ( -2.742 -0.864 0.355) 2.897 5.944 ( 3.319 6.233 0.040) 7.061 6.895 ( -4.936 -12.944 -0.107) 13.854 7.061 ( -15.325 -23.440 0.424) 28.008 7.540 ( 7.223 10.739 -0.865) 12.971 8.402 ( 16.554 -16.922 -0.775) 23.685 8.910 ( -24.001 5.991 0.763) 24.750 10.235 ( 7.744 7.892 -0.481) 11.068 14.431 ( -6.069 -3.537 -0.191) 7.027 15.282 ( 3.228 6.122 0.087) 6.922 15.442 ( 4.808 4.360 -1.592) 6.683 15.576 ( 9.627 6.112 1.112) 11.458 15.805 ( -1.632 0.020 0.752) 1.797 16.410 ( -7.150 -6.814 6.295) 11.713 17.072 ( -5.980 -8.939 0.908) 10.793 17.849 ( 5.934 11.498 -3.734) 13.467 18.408 ( -1.595 -3.912 0.165) 4.227 18.783 ( 0.169 0.958 0.740) 1.222 18.974 ( 0.732 -1.087 -4.541) 4.726 19.172 ( -0.046 -1.058 -1.275) 1.657 ======================= Grid point 176 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 3.196 9.606 -0.977) 10.171 1.290 ( -2.605 -2.257 0.580) 3.495 1.514 ( -1.053 -4.487 -0.707) 4.663 1.572 ( 2.216 -0.297 -0.310) 2.257 1.956 ( 2.022 1.392 -0.215) 2.465 2.081 ( -1.749 -1.316 1.338) 2.565 2.721 ( 6.508 10.765 0.214) 12.581 2.923 ( 5.939 13.340 0.937) 14.632 3.613 ( -5.686 -10.564 0.376) 12.003 5.193 ( 12.409 20.295 0.239) 23.789 5.419 ( -1.172 -1.599 0.094) 1.985 6.007 ( -0.898 -3.153 0.177) 3.283 6.615 ( -9.794 -15.049 0.192) 17.956 6.706 ( -5.528 -9.473 -0.369) 10.974 7.813 ( 9.144 16.545 -0.434) 18.909 8.442 ( -3.306 -8.111 0.414) 8.769 8.597 ( -6.235 -7.174 0.094) 9.505 10.393 ( 3.050 5.652 -0.043) 6.422 14.324 ( -2.067 -3.833 -0.085) 4.356 15.372 ( 2.256 3.072 -3.412) 5.116 15.456 ( -2.576 -4.860 2.957) 6.245 15.732 ( 1.464 8.157 1.469) 8.417 15.851 ( 3.422 1.331 -0.339) 3.688 16.370 ( 2.326 4.425 2.092) 5.419 16.862 ( -7.837 -10.263 0.890) 12.944 18.045 ( 4.822 10.252 -0.371) 11.335 18.339 ( -1.290 -4.969 -0.402) 5.150 18.786 ( -0.195 -0.869 0.093) 0.895 18.969 ( 0.291 2.176 -2.163) 3.082 19.151 ( 0.827 -3.121 -1.286) 3.475 ======================= Grid point 177 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -3.156 -1.696 2.236) 4.224 1.304 ( 3.323 6.148 -0.335) 6.997 1.445 ( -1.085 -4.178 -1.674) 4.630 1.606 ( 2.105 -0.306 -0.478) 2.180 2.000 ( 1.407 1.590 -1.447) 2.569 2.017 ( -3.819 -2.035 2.017) 4.774 2.824 ( -10.250 17.959 -0.465) 20.684 3.129 ( 6.122 -5.400 0.264) 8.167 3.432 ( -3.979 -0.384 0.608) 4.044 5.399 ( 0.352 -1.154 -0.245) 1.232 5.539 ( 1.347 7.411 -0.563) 7.553 5.830 ( 1.226 -10.957 0.314) 11.030 6.500 ( 0.240 0.146 0.938) 0.980 6.579 ( 2.186 -4.941 -0.592) 5.435 8.141 ( -21.724 2.408 1.046) 21.882 8.155 ( 9.617 19.697 -0.486) 21.925 8.564 ( 11.895 -20.973 -0.308) 24.113 10.446 ( -1.794 2.881 0.129) 3.396 14.289 ( 1.754 -2.633 -0.090) 3.165 15.294 ( -4.461 -6.195 1.123) 7.716 15.468 ( 2.744 0.892 0.976) 3.046 15.812 ( -1.602 5.855 -0.967) 6.147 15.878 ( -1.968 4.303 -0.429) 4.752 16.490 ( -3.654 5.136 0.051) 6.303 16.675 ( 3.947 -8.573 0.605) 9.458 18.156 ( -3.870 5.663 0.999) 6.931 18.305 ( 5.080 -2.635 -2.053) 6.080 18.765 ( -0.709 -1.469 0.376) 1.674 19.007 ( 0.691 3.809 0.171) 3.875 19.137 ( 2.557 -3.874 -1.017) 4.752 ======================= Grid point 178 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -3.683 -2.180 1.489) 4.531 1.343 ( -1.464 -1.806 -2.634) 3.513 1.452 ( 3.179 3.493 2.209) 5.214 1.628 ( 1.144 -0.516 -1.203) 1.738 1.910 ( -7.796 0.655 2.586) 8.240 2.049 ( 2.894 -0.176 -0.452) 2.934 2.742 ( -11.776 3.111 -1.078) 12.227 2.920 ( -16.779 -2.894 -0.740) 17.043 3.568 ( 12.276 0.078 1.443) 12.360 5.217 ( -24.159 -0.357 -1.138) 24.188 5.439 ( 1.497 0.661 -0.851) 1.844 5.976 ( 4.541 -0.274 0.899) 4.637 6.603 ( 17.086 -0.264 0.331) 17.091 6.697 ( 10.138 0.975 0.782) 10.214 7.817 ( -17.480 -0.152 0.322) 17.484 8.450 ( 8.934 -6.543 -0.840) 11.106 8.600 ( 9.208 6.061 -0.124) 11.025 10.390 ( -6.227 -0.265 0.143) 6.234 14.330 ( 4.579 -0.068 -0.162) 4.582 15.193 ( -4.246 -2.107 5.723) 7.431 15.513 ( 2.544 -2.336 -0.256) 3.463 15.775 ( -6.033 3.195 -3.039) 7.472 15.870 ( -2.941 0.667 -1.167) 3.234 16.323 ( -10.161 -0.173 0.350) 10.169 16.842 ( 12.901 0.009 -0.387) 12.907 18.079 ( -5.666 -0.457 -1.321) 5.835 18.399 ( 4.969 2.118 -1.748) 5.677 18.745 ( -0.667 -0.950 1.586) 1.965 19.047 ( 1.024 0.520 -0.240) 1.173 19.162 ( 3.040 -0.457 0.346) 3.094 ======================= Grid point 179 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -9.102 -1.606 -1.843) 9.424 1.284 ( -1.934 -2.478 -0.991) 3.296 1.557 ( 2.856 4.285 3.282) 6.107 1.618 ( -0.629 -1.275 -1.214) 1.869 1.809 ( -6.474 1.619 4.119) 7.842 2.087 ( 1.712 -0.270 0.078) 1.735 2.429 ( -11.695 -18.474 -0.218) 21.866 2.708 ( -13.970 11.901 -1.251) 18.395 3.766 ( 12.761 -4.792 1.191) 13.683 4.791 ( -30.814 10.309 -0.458) 32.495 5.490 ( 2.049 3.085 -0.741) 3.777 5.931 ( -6.695 -0.046 0.503) 6.714 6.900 ( 12.227 -0.098 1.193) 12.285 7.028 ( 28.681 0.603 0.582) 28.694 7.557 ( -11.452 -1.894 -0.954) 11.647 8.383 ( 6.520 -24.260 -0.315) 25.123 8.924 ( 7.033 23.062 -0.852) 24.125 10.235 ( -9.851 -3.349 -0.040) 10.405 14.436 ( 5.919 3.310 -0.212) 6.785 15.137 ( -5.963 0.639 7.048) 9.254 15.481 ( -1.923 -6.382 0.432) 6.679 15.637 ( -10.167 0.958 -6.347) 12.024 15.813 ( -0.358 -2.125 1.358) 2.547 16.247 ( -1.412 4.201 1.409) 4.651 17.045 ( 11.184 -0.611 -0.223) 11.203 17.973 ( -4.390 -0.828 -4.231) 6.153 18.480 ( 3.105 1.990 -1.990) 4.191 18.738 ( -0.477 -0.177 2.042) 2.104 19.048 ( 1.191 -3.321 -1.168) 3.716 19.217 ( 1.096 2.706 0.836) 3.037 ======================= Grid point 182 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -6.823 10.634 -2.050) 12.799 1.282 ( 0.255 5.384 2.524) 5.952 1.562 ( -0.640 -1.190 -0.446) 1.424 1.604 ( -4.394 0.694 -1.567) 4.717 1.799 ( -2.208 0.441 5.010) 5.492 1.986 ( 1.668 4.654 -1.558) 5.183 2.268 ( 5.102 6.883 3.875) 9.404 2.665 ( -5.591 2.202 0.658) 6.045 3.907 ( 10.633 -7.502 0.247) 13.015 4.397 ( -33.589 23.815 0.387) 41.176 5.572 ( -1.338 -2.067 0.115) 2.465 5.803 ( -5.638 5.820 -0.079) 8.104 7.060 ( 6.007 -9.116 0.887) 10.953 7.367 ( 3.678 1.256 -2.248) 4.490 7.535 ( 11.042 -22.318 1.235) 24.930 8.256 ( 22.612 8.461 -0.624) 24.151 9.238 ( -16.320 -13.451 0.249) 21.150 9.971 ( -2.548 14.095 -1.215) 14.375 14.582 ( -2.286 -7.622 -0.235) 7.961 14.880 ( -6.819 5.058 1.883) 8.696 15.323 ( 1.716 10.028 0.472) 10.184 15.498 ( -3.902 5.443 -3.731) 7.667 15.853 ( -4.369 0.275 0.319) 4.389 16.654 ( 11.322 -4.877 13.163) 18.034 17.214 ( 6.235 -6.135 0.444) 8.759 17.803 ( -2.276 4.535 -11.696) 12.750 18.561 ( 2.465 0.183 -1.370) 2.826 18.744 ( -0.875 -3.447 3.076) 4.702 18.865 ( -2.563 1.167 -3.710) 4.658 19.192 ( -2.784 -0.645 -1.917) 3.442 ======================= Grid point 183 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -3.632 13.550 -2.285) 14.214 1.326 ( 0.201 1.201 2.096) 2.424 1.516 ( -2.539 1.226 -0.885) 2.955 1.583 ( -1.244 1.747 -0.434) 2.188 1.771 ( -3.086 -0.580 5.451) 6.290 2.013 ( -2.758 3.904 -1.533) 5.019 2.404 ( -6.675 10.687 2.205) 12.791 2.616 ( 2.331 -1.878 1.614) 3.401 3.975 ( 5.965 -8.862 0.492) 10.693 4.202 ( -19.145 32.036 0.211) 37.321 5.539 ( 0.456 -2.390 -0.230) 2.444 5.781 ( -4.359 7.228 0.078) 8.440 7.066 ( 5.188 -9.602 0.857) 10.947 7.424 ( -0.722 3.692 -1.757) 4.152 7.501 ( 13.642 -24.070 0.945) 27.684 8.710 ( 5.440 -2.654 -0.938) 6.125 8.821 ( -0.315 -4.387 -0.022) 4.398 10.022 ( -6.986 12.624 -1.020) 14.464 14.519 ( 3.023 -4.916 -0.051) 5.771 14.866 ( -2.675 6.916 4.074) 8.461 15.415 ( -6.492 9.966 1.176) 11.952 15.466 ( -4.878 7.242 -4.830) 9.979 15.793 ( 0.069 -0.451 -0.107) 0.469 16.797 ( 6.339 -9.662 13.079) 17.453 17.243 ( 4.688 -6.995 0.273) 8.425 17.747 ( -3.185 5.051 -15.354) 16.474 18.586 ( 1.079 -3.323 -1.325) 3.737 18.712 ( 0.938 -2.251 4.768) 5.355 18.838 ( -1.910 4.067 -4.010) 6.022 19.153 ( -0.512 0.058 -1.080) 1.196 ======================= Grid point 184 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -2.596 13.619 -4.081) 14.452 1.360 ( 1.666 0.840 2.409) 3.047 1.485 ( -3.437 3.014 -1.206) 4.728 1.565 ( -1.896 -0.010 1.311) 2.305 1.753 ( -1.372 0.898 5.434) 5.676 1.960 ( -4.765 0.580 -1.374) 4.993 2.289 ( -8.016 -1.315 2.317) 8.447 2.700 ( 1.566 6.126 0.092) 6.323 3.933 ( 1.717 -12.818 0.610) 12.946 4.381 ( -4.405 40.587 0.638) 40.830 5.542 ( 1.503 -0.573 -0.330) 1.642 5.802 ( -2.073 8.192 0.294) 8.455 7.051 ( 4.460 -11.220 0.521) 12.085 7.385 ( -3.077 0.140 -1.598) 3.470 7.544 ( 14.536 -21.509 0.264) 25.961 8.284 ( -17.771 -14.638 0.314) 23.026 9.241 ( 20.673 8.062 -0.911) 22.208 9.971 ( -11.072 10.064 -0.789) 14.983 14.587 ( 8.215 -1.956 -0.238) 8.448 14.951 ( 0.227 8.652 5.023) 10.007 15.306 ( -11.009 3.945 0.478) 11.705 15.435 ( -4.346 6.858 -4.970) 9.519 15.854 ( 2.619 3.363 1.425) 4.494 16.779 ( 0.412 -15.228 9.985) 18.214 17.238 ( 2.609 -7.127 0.383) 7.599 17.689 ( -3.405 9.069 -13.087) 16.282 18.527 ( -1.532 -4.486 -0.366) 4.754 18.765 ( 2.664 -1.017 3.664) 4.642 18.845 ( 0.744 3.381 -3.953) 5.255 19.161 ( 0.965 0.768 -1.000) 1.588 ======================= Grid point 185 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.116 12.257 -5.239) 13.330 1.394 ( -0.940 1.677 3.335) 3.849 1.481 ( 1.074 3.489 -2.702) 4.541 1.544 ( -0.159 -2.653 2.906) 3.938 1.791 ( 1.532 2.539 4.174) 5.120 1.902 ( 0.861 -2.244 -0.272) 2.419 2.190 ( -1.493 -4.618 2.251) 5.350 2.784 ( -0.709 11.302 -0.880) 11.358 3.804 ( 0.094 -15.975 0.289) 15.978 4.760 ( -0.857 41.280 1.013) 41.301 5.555 ( -0.608 0.687 0.254) 0.951 5.872 ( 0.496 7.870 0.113) 7.886 6.985 ( 1.083 -12.987 -0.051) 13.032 7.365 ( 0.978 3.281 -1.489) 3.734 7.455 ( -0.428 -27.160 0.220) 27.164 7.981 ( -0.852 -9.474 0.104) 9.512 9.527 ( -0.542 6.241 -0.013) 6.264 9.920 ( 0.619 7.714 -0.923) 7.793 14.681 ( -0.030 -0.380 -0.463) 0.600 15.022 ( 2.296 3.006 1.933) 4.248 15.291 ( 2.916 8.182 3.125) 9.231 15.416 ( -2.626 5.859 -4.697) 7.955 15.899 ( -1.088 0.279 1.923) 2.227 16.629 ( -3.610 -13.905 5.772) 15.482 17.189 ( -0.328 -7.530 0.511) 7.555 17.725 ( 0.207 12.245 -7.005) 14.109 18.461 ( -1.358 -3.781 0.151) 4.021 18.789 ( 0.001 -0.057 1.861) 1.862 18.888 ( 2.976 0.630 -3.523) 4.655 19.178 ( 0.488 0.584 -1.228) 1.444 ======================= Grid point 186 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 2.798 9.549 -4.698) 11.003 1.392 ( -2.317 0.805 1.462) 2.856 1.517 ( -0.252 -1.220 2.848) 3.108 1.535 ( 1.545 -1.139 -1.822) 2.647 1.895 ( 2.256 2.644 3.189) 4.717 1.979 ( 11.051 1.377 -0.895) 11.172 2.171 ( 6.448 -6.881 2.638) 9.792 2.912 ( 0.299 16.612 -0.888) 16.638 3.645 ( 0.573 -17.129 0.168) 17.140 5.118 ( -2.824 35.704 0.820) 35.825 5.528 ( -3.533 0.586 0.782) 3.666 5.953 ( 1.686 3.739 -0.187) 4.105 6.838 ( -3.239 -11.997 -0.457) 12.435 7.075 ( -11.544 -22.916 0.669) 25.668 7.494 ( 8.234 8.061 -0.990) 11.565 7.996 ( 11.572 -12.252 -0.633) 16.865 9.358 ( -20.611 4.629 0.596) 21.133 10.126 ( 11.599 5.070 -0.690) 12.678 14.553 ( -10.216 -1.122 -0.307) 10.282 15.206 ( 12.600 2.241 1.032) 12.839 15.397 ( 0.047 1.833 -4.270) 4.647 15.508 ( 6.312 10.480 1.699) 12.351 15.837 ( -2.904 -6.075 2.654) 7.237 16.483 ( -4.672 -3.828 2.942) 6.719 17.083 ( -3.867 -7.207 0.656) 8.205 17.858 ( 4.035 10.515 -2.529) 11.543 18.406 ( -1.608 -3.095 0.969) 3.620 18.789 ( -0.138 -0.758 0.571) 0.959 18.920 ( 2.132 0.506 -3.139) 3.828 19.171 ( -0.893 -0.333 -1.093) 1.450 ======================= Grid point 187 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 4.217 5.777 -3.363) 7.904 1.343 ( -3.970 0.195 0.908) 4.077 1.485 ( -0.764 -4.306 0.952) 4.476 1.550 ( 0.872 1.034 0.070) 1.354 1.930 ( 1.370 -1.028 0.092) 1.715 2.086 ( 0.641 -0.083 0.625) 0.899 2.443 ( 24.125 0.389 1.480) 24.173 3.091 ( -0.413 17.708 -0.509) 17.720 3.500 ( 1.932 -16.012 0.108) 16.129 5.361 ( -3.180 24.574 0.224) 24.779 5.465 ( -4.243 0.142 0.841) 4.328 5.967 ( 0.253 -6.486 -0.148) 6.492 6.643 ( -7.499 -8.281 -0.576) 11.187 6.727 ( -8.033 -10.053 0.604) 12.883 7.780 ( 12.493 13.951 -0.616) 18.737 8.072 ( 13.198 -15.533 -0.606) 20.392 9.002 ( -24.866 2.361 0.787) 24.990 10.336 ( 8.294 2.638 -0.322) 8.710 14.383 ( -7.589 -1.207 -0.070) 7.684 15.348 ( -0.833 -0.989 -6.611) 6.736 15.419 ( 6.033 -1.724 2.495) 6.753 15.716 ( 8.005 4.885 -0.457) 9.389 15.791 ( 1.948 -0.239 4.320) 4.745 16.427 ( -2.425 2.802 1.133) 3.875 16.925 ( -7.690 -5.341 0.687) 9.388 18.028 ( 6.419 6.700 -0.657) 9.302 18.349 ( -3.039 -1.907 1.763) 3.998 18.772 ( -0.109 -1.938 -0.960) 2.166 18.957 ( 2.236 1.733 -1.130) 3.046 19.133 ( -1.890 -1.471 -0.819) 2.531 ======================= Grid point 188 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.058 -3.323 -1.738) 3.750 1.338 ( 0.957 6.226 1.287) 6.429 1.423 ( -1.707 -3.883 -0.355) 4.256 1.582 ( 1.161 1.259 0.571) 1.805 1.942 ( 2.682 -2.847 -0.198) 3.916 2.076 ( -1.861 0.634 -0.194) 1.976 2.843 ( 19.288 0.816 0.817) 19.323 3.133 ( -8.336 2.731 -0.067) 8.772 3.436 ( 1.633 -3.204 -0.603) 3.647 5.411 ( -2.036 0.485 0.174) 2.100 5.529 ( 6.462 4.908 0.843) 8.158 5.821 ( -8.623 -4.593 -0.660) 9.792 6.519 ( -1.692 -0.094 -0.333) 1.727 6.571 ( -5.253 -0.526 0.204) 5.284 8.112 ( 9.761 -10.124 -0.662) 14.078 8.172 ( 15.450 10.816 -0.081) 18.860 8.586 ( -25.167 -0.155 0.726) 25.178 10.447 ( 3.311 -0.153 -0.108) 3.316 14.286 ( -2.908 0.087 0.037) 2.909 15.254 ( -0.293 -7.561 -3.658) 8.404 15.472 ( -0.082 1.631 1.735) 2.383 15.858 ( 3.571 0.997 -0.485) 3.740 15.877 ( 3.062 3.047 1.880) 4.711 16.471 ( 5.176 0.664 -0.344) 5.230 16.735 ( -11.331 0.520 0.387) 11.350 18.178 ( 6.450 -1.584 -0.678) 6.676 18.288 ( -4.544 4.219 1.881) 6.480 18.747 ( 0.310 -2.246 -0.835) 2.417 19.024 ( 3.136 2.842 0.809) 4.309 19.079 ( -1.701 -2.420 -0.698) 3.040 ======================= Grid point 189 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.834 -4.192 0.314) 4.285 1.349 ( -2.593 -2.288 -1.631) 3.823 1.445 ( 3.321 4.714 1.575) 5.977 1.612 ( 0.664 1.164 0.331) 1.380 1.965 ( 3.130 -3.309 0.499) 4.582 2.039 ( -3.402 1.979 -0.622) 3.985 2.852 ( -10.287 -16.806 -0.605) 19.714 3.127 ( 2.199 8.056 -0.195) 8.353 3.410 ( -0.140 -2.961 0.222) 2.973 5.415 ( 0.673 2.718 -0.278) 2.814 5.563 ( -5.746 -5.431 -0.324) 7.913 5.801 ( 7.322 8.679 0.666) 11.374 6.481 ( 0.000 -0.552 -0.361) 0.659 6.597 ( 3.294 4.940 0.125) 5.938 8.111 ( 6.222 -15.850 0.456) 17.033 8.157 ( -19.697 -6.410 0.023) 20.714 8.591 ( 12.429 21.125 -0.689) 24.520 10.442 ( -1.795 -3.274 0.011) 3.734 14.289 ( 1.609 2.689 0.039) 3.134 15.204 ( 2.154 -4.175 1.746) 5.012 15.474 ( -1.113 -0.392 -0.231) 1.203 15.837 ( -2.550 -3.552 -0.190) 4.377 15.920 ( -2.511 0.982 -1.228) 2.962 16.491 ( -3.710 -4.697 0.001) 5.985 16.681 ( 3.097 8.871 -0.889) 9.437 18.136 ( -3.158 -5.418 -0.106) 6.272 18.363 ( 2.708 6.802 -0.336) 7.329 18.736 ( 0.722 -1.813 0.613) 2.045 19.029 ( -0.651 -2.807 -0.908) 3.021 19.121 ( 3.704 3.419 1.703) 5.321 ======================= Grid point 190 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -2.768 -3.279 -0.082) 4.292 1.285 ( -1.636 -1.391 -1.264) 2.492 1.542 ( 3.017 1.899 1.441) 3.846 1.632 ( -0.177 2.249 0.206) 2.265 1.946 ( -4.523 0.403 2.091) 4.999 2.036 ( 2.539 -0.526 -0.560) 2.653 2.437 ( -13.331 -21.824 -0.908) 25.589 3.070 ( -15.672 9.432 -1.172) 18.329 3.476 ( 13.206 -9.482 1.392) 16.317 5.374 ( -20.141 14.622 -0.032) 24.889 5.487 ( 2.097 4.496 -1.137) 5.090 5.969 ( 4.084 -1.758 1.472) 4.684 6.612 ( 16.633 1.473 -0.634) 16.710 6.732 ( 8.326 2.112 0.335) 8.596 7.771 ( -17.337 -5.146 -0.325) 18.088 8.052 ( 6.231 -19.490 0.451) 20.467 8.994 ( 10.244 21.672 -0.969) 23.991 10.326 ( -6.244 -6.204 0.089) 8.802 14.389 ( 4.847 5.975 -0.014) 7.694 15.249 ( 0.471 2.066 6.903) 7.221 15.409 ( -1.251 -7.640 -1.461) 7.878 15.750 ( -2.825 -3.621 -1.816) 4.938 15.797 ( -6.690 -4.076 -2.311) 8.167 16.400 ( -6.495 5.473 0.516) 8.509 16.855 ( 9.760 1.808 -0.688) 9.950 18.024 ( -4.342 -3.162 -1.223) 5.509 18.456 ( 2.140 4.131 -1.461) 4.877 18.739 ( 0.684 -1.044 1.636) 2.058 18.993 ( 0.349 -3.076 -1.389) 3.394 19.218 ( 2.648 3.346 1.274) 4.453 ======================= Grid point 193 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -4.979 7.019 -0.986) 8.662 1.304 ( 1.346 1.325 1.814) 2.619 1.550 ( 0.203 -1.313 -0.213) 1.346 1.659 ( -2.892 -1.041 -2.365) 3.879 1.876 ( -3.150 2.018 3.362) 5.030 1.999 ( 3.924 8.637 -0.172) 9.488 2.194 ( 10.518 4.139 2.024) 11.483 2.895 ( -13.031 9.599 -0.700) 16.200 3.615 ( 14.648 -8.319 0.858) 16.867 5.164 ( -31.908 16.207 -0.056) 35.788 5.578 ( -2.237 -3.010 -0.381) 3.769 5.935 ( -2.734 3.491 0.117) 4.436 6.857 ( 7.531 -9.006 -0.674) 11.760 7.007 ( 13.119 -21.783 2.059) 25.512 7.478 ( -1.002 9.892 -0.678) 9.966 7.977 ( 17.323 4.876 -0.269) 17.998 9.353 ( -13.187 -14.878 0.678) 19.893 10.108 ( 1.400 12.321 -0.289) 12.404 14.552 ( -3.991 -8.934 -0.302) 9.790 15.064 ( -7.205 5.492 1.905) 9.257 15.324 ( 6.107 5.858 -0.936) 8.514 15.591 ( -2.490 4.263 -0.987) 5.035 15.904 ( 2.707 0.978 1.407) 3.203 16.498 ( 3.633 -2.295 4.455) 6.190 17.039 ( 6.405 -6.960 1.105) 9.523 17.889 ( -3.544 5.895 -3.585) 7.756 18.522 ( 0.955 -0.474 -2.298) 2.534 18.733 ( -0.305 -2.604 1.833) 3.199 18.905 ( -1.524 2.224 -1.798) 3.241 19.220 ( -2.968 -1.691 -2.404) 4.177 ======================= Grid point 194 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -3.004 10.427 -0.993) 10.897 1.332 ( 0.306 0.121 0.636) 0.716 1.526 ( -0.594 -2.648 0.298) 2.730 1.611 ( -0.972 0.361 -1.881) 2.149 1.843 ( -3.466 0.635 4.257) 5.526 2.083 ( -0.332 3.700 -0.100) 3.716 2.507 ( 10.526 14.347 0.740) 17.809 2.753 ( -14.481 7.298 0.105) 16.216 3.756 ( 10.230 -8.551 1.013) 13.371 4.840 ( -24.470 21.258 -0.538) 32.419 5.509 ( -0.896 -3.643 -0.586) 3.798 5.924 ( -3.854 5.759 0.287) 6.935 6.878 ( 5.715 -9.913 0.736) 11.466 7.011 ( 14.350 -24.714 1.237) 28.605 7.535 ( -3.845 10.386 -0.799) 11.104 8.404 ( 24.020 6.837 -0.801) 24.987 8.930 ( -16.751 -17.512 0.303) 24.235 10.219 ( -2.606 11.099 -0.133) 11.401 14.433 ( 0.126 -6.850 -0.231) 6.855 15.015 ( -4.771 5.804 4.659) 8.840 15.486 ( 2.322 3.455 -0.603) 4.206 15.626 ( 0.317 11.728 -1.251) 11.799 15.855 ( -7.495 0.323 -0.909) 7.557 16.581 ( 8.484 -9.253 4.820) 13.447 17.070 ( 6.252 -8.905 0.425) 10.889 17.870 ( -5.452 9.518 -5.660) 12.343 18.518 ( 1.581 -3.570 -2.158) 4.461 18.710 ( -0.473 -1.530 3.080) 3.471 18.898 ( -1.948 3.995 -2.424) 5.063 19.153 ( -1.244 -1.846 -1.389) 2.624 ======================= Grid point 195 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.851 11.264 -2.738) 11.937 1.343 ( 1.184 0.505 0.371) 1.340 1.499 ( 0.240 -2.934 1.379) 3.251 1.597 ( -0.635 -0.138 -0.943) 1.146 1.820 ( -2.324 1.637 4.765) 5.549 2.076 ( -4.181 2.481 -0.290) 4.870 2.496 ( -16.938 -2.005 0.263) 17.059 2.775 ( 1.611 16.415 -0.634) 16.506 3.770 ( 3.045 -12.926 1.240) 13.338 4.833 ( -6.660 31.689 -0.147) 32.382 5.492 ( 2.365 -1.620 -0.943) 3.018 5.925 ( -3.060 6.123 0.732) 6.884 6.862 ( 4.645 -11.773 0.742) 12.678 7.030 ( 14.894 -23.374 0.583) 27.722 7.543 ( -6.171 9.454 -0.875) 11.324 8.432 ( -17.129 -16.869 -0.022) 24.041 8.916 ( 24.291 5.982 -0.891) 25.033 10.225 ( -7.841 8.228 -0.070) 11.366 14.433 ( 6.032 -3.569 -0.158) 7.010 15.067 ( -0.672 8.665 6.307) 10.738 15.474 ( -4.110 0.614 -0.958) 4.264 15.621 ( -12.657 5.915 -2.702) 14.230 15.839 ( 3.952 4.555 0.952) 6.105 16.599 ( 4.839 -13.250 2.126) 14.265 17.086 ( 5.824 -8.808 -0.414) 10.567 17.848 ( -6.259 11.620 -5.331) 14.235 18.481 ( 0.640 -5.593 -1.693) 5.878 18.729 ( 1.612 0.080 3.331) 3.702 18.892 ( -2.191 4.007 -2.445) 5.180 19.139 ( 1.252 -0.782 -0.190) 1.489 ======================= Grid point 196 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -2.729 9.642 -4.111) 10.831 1.385 ( 2.237 1.041 -0.340) 2.491 1.485 ( 0.549 -2.417 1.446) 2.870 1.574 ( -1.690 -0.354 1.562) 2.328 1.844 ( -0.293 3.505 4.427) 5.654 1.967 ( -10.499 1.374 -1.030) 10.639 2.212 ( -8.274 -7.035 0.660) 10.880 2.926 ( -1.057 16.222 -1.473) 16.323 3.642 ( -0.219 -17.238 0.887) 17.262 5.147 ( 1.329 35.596 0.637) 35.627 5.537 ( 3.250 0.423 -0.640) 3.339 5.943 ( -1.242 3.561 0.870) 3.870 6.820 ( 3.855 -11.170 -0.337) 11.821 7.044 ( 11.911 -22.219 0.504) 25.216 7.503 ( -7.564 7.098 -1.189) 10.441 8.016 ( -12.440 -12.610 0.239) 17.716 9.357 ( 20.739 4.367 -0.945) 21.215 10.122 ( -11.501 5.406 0.011) 12.708 14.554 ( 10.199 -1.086 -0.098) 10.257 15.145 ( -6.171 5.774 2.941) 8.948 15.375 ( -3.879 3.384 3.582) 6.271 15.512 ( -4.718 5.361 -4.214) 8.292 15.894 ( 0.119 -3.661 0.691) 3.728 16.541 ( 1.569 -8.309 0.570) 8.475 17.086 ( 3.720 -7.518 -0.763) 8.422 17.852 ( -3.880 10.742 -3.049) 11.821 18.432 ( 0.236 -4.445 -0.623) 4.494 18.769 ( 1.506 -0.724 2.101) 2.684 18.889 ( -1.040 3.338 -1.957) 4.007 19.163 ( 1.435 0.194 0.255) 1.470 ======================= Grid point 197 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.353 6.551 -3.663) 7.514 1.416 ( 0.600 0.699 -1.659) 1.897 1.485 ( 1.115 -2.606 1.366) 3.146 1.557 ( -1.576 1.044 3.114) 3.643 1.844 ( 0.489 -0.278 -0.394) 0.687 1.902 ( 0.917 1.667 2.325) 3.004 2.084 ( -0.739 -5.867 0.372) 5.925 3.073 ( -0.319 18.154 -1.428) 18.213 3.461 ( 0.037 -18.760 0.533) 18.767 5.489 ( -0.339 27.343 0.613) 27.352 5.579 ( -0.557 3.467 0.562) 3.556 5.937 ( 0.286 -5.042 0.302) 5.059 6.776 ( 0.384 -4.376 -1.260) 4.570 6.960 ( 1.043 -19.099 0.987) 19.153 7.465 ( -0.243 5.086 -1.072) 5.203 7.817 ( -0.685 -6.140 -0.144) 6.180 9.611 ( 0.457 2.269 -0.341) 2.339 10.018 ( -0.205 2.738 -0.208) 2.754 14.675 ( -0.208 0.067 -0.235) 0.321 15.054 ( 0.800 -0.001 0.500) 0.943 15.427 ( -2.177 1.701 -1.650) 3.218 15.550 ( 2.918 11.503 0.774) 11.893 15.793 ( -1.530 -11.620 1.124) 11.774 16.510 ( -0.541 -1.134 0.477) 1.344 17.057 ( 0.280 -4.628 -0.575) 4.672 17.899 ( 0.180 6.725 -1.121) 6.820 18.401 ( -0.125 -2.090 0.866) 2.266 18.777 ( 0.105 -1.330 0.358) 1.381 18.905 ( 0.349 2.271 -1.131) 2.562 19.180 ( -0.191 0.390 0.536) 0.690 ======================= Grid point 198 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.408 2.995 -2.551) 4.613 1.399 ( -1.862 -0.202 -1.863) 2.642 1.466 ( -0.645 -2.647 1.797) 3.264 1.564 ( -0.357 1.240 2.184) 2.537 1.888 ( 0.443 -3.950 -0.531) 4.010 2.040 ( 18.032 -3.883 0.937) 18.469 2.075 ( 3.608 4.093 0.027) 5.456 3.259 ( 0.316 17.820 -1.060) 17.854 3.293 ( 2.148 -17.253 0.241) 17.388 5.538 ( -3.719 -0.634 0.756) 3.847 5.637 ( -6.066 3.012 0.086) 6.773 5.882 ( 1.409 -2.515 0.044) 2.883 6.732 ( -5.809 5.451 -1.265) 8.065 6.774 ( -6.236 -6.504 1.390) 9.117 7.621 ( 13.128 0.950 -0.244) 13.165 7.829 ( 5.886 0.304 -1.017) 5.981 9.411 ( -20.374 0.223 0.379) 20.379 10.171 ( 11.668 -0.004 -0.421) 11.675 14.542 ( -10.923 0.153 -0.091) 10.925 15.217 ( 12.629 -2.948 0.414) 12.975 15.344 ( -2.584 -1.303 -5.698) 6.391 15.665 ( 1.006 -2.431 0.847) 2.764 15.767 ( 4.813 4.663 3.143) 7.401 16.485 ( -2.143 0.076 -0.098) 2.146 17.002 ( -3.804 0.143 -0.377) 3.825 17.974 ( 3.952 1.471 0.099) 4.218 18.393 ( -1.067 0.994 2.207) 2.645 18.754 ( -0.727 -1.658 -1.070) 2.103 18.935 ( 1.482 1.100 0.143) 1.851 19.165 ( -2.202 0.266 0.728) 2.334 ======================= Grid point 199 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.112 -2.558 -1.533) 3.183 1.366 ( -0.082 0.058 -0.519) 0.529 1.434 ( -1.854 -0.349 0.929) 2.103 1.592 ( 0.582 2.202 1.449) 2.700 1.853 ( 2.327 -6.038 -0.669) 6.505 2.090 ( 0.866 0.306 -0.541) 1.066 2.465 ( 24.389 0.812 0.266) 24.404 3.127 ( -0.379 -17.303 -0.050) 17.307 3.458 ( 1.138 15.696 -1.049) 15.772 5.388 ( -1.913 -20.325 -0.526) 20.422 5.497 ( -4.251 -2.161 0.992) 4.871 5.928 ( -0.528 6.010 -0.254) 6.039 6.647 ( -9.291 7.616 0.288) 12.017 6.696 ( -6.044 7.709 -0.218) 9.799 7.772 ( 11.027 -12.753 0.177) 16.860 8.091 ( 14.385 16.411 -1.048) 21.849 9.011 ( -24.948 -2.054 0.598) 25.039 10.332 ( 8.306 -2.761 -0.215) 8.756 14.385 ( -7.577 1.446 0.117) 7.715 15.162 ( -1.001 -9.201 -4.066) 10.109 15.458 ( 6.010 2.000 0.038) 6.334 15.723 ( 8.425 -0.965 1.611) 8.632 15.876 ( 1.751 1.144 0.697) 2.205 16.444 ( -1.844 -0.293 -1.668) 2.504 16.932 ( -7.360 5.721 -0.502) 9.335 18.052 ( 5.383 -3.234 1.152) 6.384 18.400 ( -2.253 4.459 2.138) 5.435 18.719 ( -0.422 -2.064 -1.245) 2.447 18.980 ( 2.760 -0.330 1.450) 3.135 19.125 ( -3.069 0.966 0.785) 3.312 ======================= Grid point 200 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.259 -5.557 -0.078) 5.563 1.361 ( -1.131 -2.213 0.642) 2.567 1.446 ( 1.747 4.185 -0.508) 4.563 1.628 ( 0.202 2.103 1.417) 2.544 1.852 ( 4.549 -5.515 -0.883) 7.203 2.090 ( -1.087 0.918 -1.058) 1.773 2.765 ( 5.555 -9.285 0.194) 10.822 2.957 ( 6.817 -14.024 -0.763) 15.611 3.550 ( -6.217 10.337 -0.798) 12.089 5.250 ( 12.406 -19.951 -0.178) 23.494 5.453 ( -1.177 1.990 0.291) 2.331 5.960 ( -1.760 4.707 -0.182) 5.029 6.592 ( -9.225 13.015 -0.098) 15.954 6.687 ( -4.452 8.616 -0.295) 9.703 7.796 ( 8.026 -14.971 0.436) 16.993 8.480 ( -4.040 7.297 -0.208) 8.344 8.601 ( -5.567 8.044 -0.027) 9.782 10.386 ( 3.064 -5.794 0.002) 6.554 14.328 ( -2.194 4.016 0.203) 4.581 15.089 ( 3.607 -6.671 -1.156) 7.671 15.508 ( -0.857 0.936 0.426) 1.339 15.824 ( -1.732 -5.161 -0.287) 5.452 15.898 ( 6.557 -1.872 1.084) 6.905 16.409 ( 0.367 -1.277 -3.991) 4.207 16.874 ( -7.907 10.008 -0.546) 12.766 18.080 ( 2.102 -5.948 1.677) 6.527 18.429 ( -1.230 6.665 0.378) 6.788 18.699 ( 1.012 -2.058 -0.042) 2.294 19.004 ( 0.365 -2.898 1.475) 3.272 19.125 ( 0.833 3.680 1.483) 4.054 ======================= Grid point 201 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.856 -5.003 1.444) 5.277 1.309 ( -2.650 -0.939 -0.362) 2.834 1.520 ( 2.229 2.303 -0.141) 3.208 1.656 ( 0.404 2.234 1.029) 2.492 1.887 ( 5.625 -4.468 -1.083) 7.265 2.064 ( -2.394 0.837 -0.650) 2.618 2.449 ( -13.573 -21.378 -1.460) 25.365 3.106 ( 15.158 -9.145 0.654) 17.716 3.446 ( -14.410 7.068 -0.453) 16.056 5.408 ( 19.114 -8.290 -0.766) 20.849 5.501 ( 3.788 3.259 0.084) 4.998 5.958 ( -3.418 3.538 0.412) 4.936 6.592 ( -5.980 13.891 -0.096) 15.124 6.713 ( -1.087 7.034 -0.622) 7.145 7.751 ( 4.064 -16.514 0.561) 17.016 8.088 ( -20.869 -4.590 0.718) 21.380 8.991 ( 13.638 19.845 -0.921) 24.097 10.324 ( -1.990 -8.653 0.227) 8.882 14.391 ( 2.672 7.288 0.223) 7.766 15.149 ( 8.709 -3.667 2.166) 9.695 15.447 ( -6.074 -3.019 0.874) 6.839 15.710 ( -1.506 -7.488 0.527) 7.656 15.892 ( -5.887 -1.622 -3.689) 7.134 16.425 ( 4.678 -1.313 -2.162) 5.318 16.863 ( -4.333 9.405 -0.539) 10.370 18.031 ( -1.453 -5.034 1.005) 5.335 18.481 ( -0.026 5.316 -1.020) 5.413 18.710 ( 1.755 -1.380 0.972) 2.436 18.972 ( -0.940 -2.230 0.492) 2.470 19.209 ( 2.948 3.363 1.757) 4.805 ======================= Grid point 204 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.559 3.752 1.185) 4.232 1.295 ( 1.454 0.259 2.160) 2.616 1.539 ( -0.808 -0.811 -1.277) 1.715 1.663 ( -0.739 -2.506 -1.983) 3.280 1.922 ( 2.522 -0.139 -1.486) 2.931 2.033 ( 5.366 13.213 1.497) 14.339 2.058 ( 7.013 3.795 0.437) 7.986 3.241 ( -13.035 8.460 -0.309) 15.543 3.272 ( 14.005 -5.820 1.039) 15.201 5.579 ( -1.718 -4.112 -0.586) 4.495 5.630 ( -1.243 -5.716 0.050) 5.850 5.905 ( 0.469 0.784 -0.815) 1.224 6.693 ( -6.282 -4.354 0.760) 7.681 6.793 ( -1.095 -5.569 0.154) 5.678 7.592 ( 5.145 12.620 0.848) 13.655 7.806 ( 4.270 4.837 -0.102) 6.453 9.396 ( -9.689 -16.754 0.927) 19.376 10.160 ( 5.449 10.071 0.046) 11.450 14.542 ( -5.449 -9.066 -0.120) 10.578 15.225 ( 1.412 11.264 1.083) 11.403 15.240 ( 1.562 -4.388 -2.679) 5.374 15.662 ( -1.859 3.041 0.399) 3.587 15.805 ( 9.003 3.033 2.405) 9.800 16.482 ( 1.221 -2.788 0.042) 3.044 16.932 ( -1.418 -3.094 2.109) 4.004 17.967 ( -0.262 3.950 0.325) 3.972 18.505 ( -1.055 -0.826 -2.280) 2.645 18.722 ( 0.032 -1.135 0.372) 1.195 18.946 ( -0.996 2.556 -0.147) 2.747 19.241 ( -2.832 -2.153 -2.325) 4.250 ======================= Grid point 205 (113/226) ======================= q-point: ( 0.27 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.317 6.269 1.125) 6.504 1.329 ( 0.795 0.725 1.032) 1.491 1.505 ( -0.624 -3.152 -0.917) 3.342 1.613 ( -1.188 -1.157 -1.987) 2.588 1.923 ( -2.309 1.385 1.052) 2.891 2.079 ( 2.533 -0.418 0.556) 2.627 2.474 ( 13.156 20.409 0.275) 24.283 3.089 ( -14.429 9.225 -0.489) 17.133 3.471 ( 14.417 -6.898 1.287) 16.034 5.402 ( -21.379 9.192 -1.243) 23.305 5.494 ( -2.191 -4.575 -0.366) 5.086 5.955 ( 4.581 -3.190 0.236) 5.587 6.611 ( 5.394 -12.942 1.043) 14.060 6.726 ( 1.822 -8.878 0.385) 9.071 7.750 ( -5.168 17.344 0.501) 18.104 8.071 ( 20.775 4.478 -0.504) 21.258 9.011 ( -13.939 -19.901 0.444) 24.301 10.323 ( 1.968 8.885 0.177) 9.102 14.385 ( -2.785 -7.088 -0.172) 7.617 15.149 ( -3.352 1.695 2.410) 4.463 15.443 ( 5.621 4.395 0.258) 7.140 15.699 ( 1.084 7.844 -0.062) 7.919 15.927 ( 1.203 1.070 -1.091) 1.945 16.468 ( 0.358 -1.719 0.325) 1.785 16.891 ( 2.896 -9.251 1.631) 9.830 18.010 ( -1.631 7.560 -0.278) 7.739 18.458 ( -0.588 -4.018 -2.524) 4.781 18.715 ( -0.018 -0.299 1.224) 1.260 18.959 ( -1.179 3.986 -0.580) 4.197 19.154 ( -2.631 -2.983 -1.980) 4.443 ======================= Grid point 206 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.817 7.800 0.761) 7.879 1.338 ( -0.370 0.762 -1.358) 1.601 1.460 ( 0.401 -4.328 0.920) 4.443 1.590 ( -0.126 -0.600 -1.054) 1.220 1.902 ( -2.802 2.321 2.349) 4.331 2.106 ( 0.992 -1.026 0.117) 1.432 2.749 ( -6.943 8.896 -0.936) 11.323 2.961 ( -5.642 12.892 -0.495) 14.081 3.584 ( 6.242 -10.094 1.559) 11.970 5.234 ( -11.447 20.198 -1.295) 23.252 5.439 ( 0.667 -2.648 -0.709) 2.821 5.978 ( 1.797 -3.560 1.162) 4.154 6.605 ( 8.713 -14.357 0.676) 16.808 6.693 ( 4.608 -9.001 0.188) 10.113 7.794 ( -8.588 15.795 0.293) 17.981 8.471 ( 8.915 -4.251 -0.812) 9.910 8.602 ( 0.440 -11.043 -0.018) 11.052 10.388 ( -3.078 5.937 0.130) 6.689 14.324 ( 2.196 -3.837 -0.103) 4.422 15.177 ( 0.020 6.123 5.093) 7.964 15.494 ( 0.265 -1.212 -0.313) 1.280 15.829 ( 2.705 6.751 -0.235) 7.277 15.853 ( -8.817 0.638 -2.027) 9.069 16.462 ( 0.744 -2.114 -0.618) 2.325 16.876 ( 6.929 -10.750 -0.131) 12.790 18.041 ( -4.879 9.672 -0.765) 10.860 18.394 ( 0.965 -6.685 -2.229) 7.113 18.732 ( 0.590 0.974 2.120) 2.407 18.966 ( -2.694 4.231 -1.417) 5.212 19.105 ( 0.921 -2.159 0.200) 2.356 ======================= Grid point 207 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -3.563 7.311 -1.075) 8.204 1.344 ( 2.432 -0.644 -1.965) 3.193 1.447 ( 1.256 -2.754 1.837) 3.541 1.582 ( -0.015 -0.681 0.941) 1.162 1.902 ( -1.379 2.791 2.552) 4.025 2.089 ( -1.714 -0.956 -0.609) 2.055 2.449 ( -23.532 -1.987 -0.918) 23.633 3.109 ( -0.081 17.280 -1.323) 17.331 3.491 ( -1.365 -15.980 1.250) 16.087 5.397 ( 2.707 22.173 0.015) 22.338 5.465 ( 4.430 0.413 -1.178) 4.603 5.954 ( 0.202 -6.231 1.654) 6.450 6.629 ( 7.325 -7.486 -0.863) 10.509 6.709 ( 7.302 -8.930 0.484) 11.546 7.768 ( -11.854 13.217 -0.143) 17.755 8.105 ( -13.664 -15.672 -0.010) 20.792 8.989 ( 24.944 2.092 -0.910) 25.048 10.335 ( -8.202 2.936 0.050) 8.712 14.384 ( 7.665 -1.228 0.046) 7.763 15.284 ( -0.030 7.682 3.895) 8.613 15.459 ( -2.250 -1.642 1.220) 3.041 15.674 ( -10.607 3.018 -2.020) 11.212 15.852 ( -1.533 -5.157 -1.496) 5.584 16.460 ( 1.655 -0.870 -0.518) 1.940 16.914 ( 7.604 -6.567 -1.583) 10.171 18.021 ( -6.395 6.862 -0.874) 9.420 18.360 ( 2.476 -4.550 -0.829) 5.246 18.762 ( 0.603 0.802 1.747) 2.015 18.945 ( -2.578 2.754 -1.079) 3.924 19.136 ( 2.494 0.268 1.613) 2.982 ======================= Grid point 208 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.646 3.610 -1.373) 5.311 1.376 ( 2.752 -0.945 -3.014) 4.189 1.457 ( 1.053 -1.028 1.650) 2.211 1.585 ( -0.235 -0.286 3.070) 3.092 1.911 ( -1.022 -0.522 0.871) 1.441 2.012 ( -15.830 3.031 -1.072) 16.154 2.066 ( -4.584 -5.301 -0.541) 7.030 3.264 ( 0.353 11.786 -1.071) 11.840 3.293 ( -3.040 -11.704 0.570) 12.105 5.526 ( 4.050 0.237 -0.187) 4.062 5.636 ( 6.003 -3.520 0.186) 6.962 5.900 ( -1.794 1.537 1.290) 2.691 6.726 ( 6.198 6.391 -2.178) 9.166 6.761 ( 6.248 -5.098 1.001) 8.126 7.615 ( -12.780 1.009 -0.593) 12.834 7.849 ( -6.685 -0.790 0.350) 6.741 9.391 ( 20.799 -0.116 -0.969) 20.822 10.179 ( -11.528 0.325 0.103) 11.533 14.546 ( 11.012 0.156 0.193) 11.015 15.199 ( -12.518 -0.034 -0.794) 12.543 15.477 ( -0.939 1.413 3.644) 4.020 15.624 ( 0.099 9.165 -1.576) 9.300 15.699 ( -3.070 -12.406 -2.161) 12.961 16.485 ( 2.076 -1.537 -0.117) 2.586 16.981 ( 4.870 -0.429 -1.791) 5.207 17.969 ( -3.744 1.488 -0.225) 4.035 18.375 ( 1.910 -0.451 1.007) 2.206 18.774 ( -0.223 -0.056 0.283) 0.365 18.933 ( -1.354 2.133 -0.089) 2.528 19.186 ( 1.247 1.021 2.234) 2.755 ======================= Grid point 209 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -0.747 -0.214 -0.736) 1.070 1.379 ( 0.997 -2.225 -3.572) 4.324 1.473 ( 0.137 0.416 1.617) 1.675 1.580 ( -0.761 -1.654 3.395) 3.852 1.828 ( -0.297 -6.531 -1.684) 6.751 1.861 ( -0.689 1.273 -0.434) 1.512 2.074 ( 1.380 3.471 -0.320) 3.749 3.099 ( 0.300 -17.925 0.465) 17.933 3.439 ( -0.316 19.381 -1.096) 19.415 5.481 ( 0.106 -30.926 -0.034) 30.926 5.572 ( 1.328 -0.862 0.313) 1.614 5.939 ( -1.168 4.258 0.352) 4.430 6.812 ( 0.074 3.091 1.330) 3.366 6.924 ( -0.108 20.335 -1.608) 20.399 7.482 ( 0.403 -3.236 0.113) 3.263 7.808 ( -0.632 5.902 -0.746) 5.983 9.607 ( 1.399 -2.234 -0.639) 2.712 10.023 ( -0.926 -2.098 0.164) 2.299 14.679 ( -0.399 0.384 0.041) 0.555 15.043 ( 0.392 -1.478 -0.221) 1.545 15.377 ( -6.864 -4.761 -2.851) 8.827 15.590 ( 2.369 -7.141 1.944) 7.771 15.766 ( 3.895 8.494 -1.279) 9.432 16.489 ( 0.731 -1.822 -1.186) 2.293 17.045 ( 0.929 4.393 -1.464) 4.723 17.936 ( 0.284 -2.127 1.475) 2.603 18.417 ( 1.009 2.067 2.217) 3.195 18.758 ( -1.113 -0.371 -1.007) 1.546 18.936 ( -0.408 0.929 0.917) 1.367 19.207 ( -1.004 0.791 2.413) 2.730 ======================= Grid point 210 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.210 -5.126 -0.050) 5.267 1.348 ( 0.060 -2.217 -2.601) 3.419 1.473 ( -1.568 1.076 1.378) 2.349 1.593 ( 2.256 -0.264 1.906) 2.965 1.752 ( 0.947 -6.803 -1.925) 7.133 1.999 ( 10.315 -0.769 1.424) 10.441 2.172 ( 8.766 4.879 -2.331) 10.300 2.945 ( 0.704 -16.403 -0.065) 16.418 3.616 ( -0.149 17.613 -0.891) 17.636 5.127 ( -1.064 -35.868 -0.735) 35.891 5.553 ( -2.470 -0.749 0.636) 2.659 5.932 ( 0.696 -3.275 -0.033) 3.348 6.838 ( -4.345 9.102 1.005) 10.136 7.030 ( -11.790 23.131 -0.444) 25.966 7.524 ( 7.009 -6.144 0.354) 9.327 7.995 ( 12.717 13.062 -1.301) 18.277 9.373 ( -20.070 -4.186 0.101) 20.502 10.122 ( 11.250 -4.700 0.023) 12.192 14.557 ( -10.199 1.338 0.081) 10.287 15.068 ( 0.803 -9.239 -1.900) 9.466 15.322 ( 8.175 0.776 -0.869) 8.258 15.609 ( 4.365 -3.676 3.151) 6.519 15.855 ( 1.234 0.909 -2.392) 2.841 16.474 ( -1.030 1.870 -4.238) 4.746 17.079 ( -2.898 7.133 -1.281) 7.805 17.954 ( 3.359 -3.132 3.641) 5.861 18.464 ( 0.206 3.414 2.140) 4.035 18.721 ( -1.963 -0.734 -1.375) 2.507 18.949 ( 1.075 -0.547 2.266) 2.567 19.190 ( -2.650 0.454 2.061) 3.388 ======================= Grid point 211 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.503 -8.845 0.659) 8.884 1.337 ( 1.624 -1.738 -0.230) 2.390 1.471 ( -0.680 2.638 -0.271) 2.738 1.642 ( 1.329 1.029 1.712) 2.399 1.717 ( 3.174 -5.414 -2.175) 6.642 2.082 ( 1.999 -1.012 0.180) 2.248 2.472 ( 20.083 -0.203 -1.471) 20.138 2.768 ( -3.117 -17.369 -1.144) 17.683 3.746 ( -3.161 13.498 -0.430) 13.869 4.822 ( 7.646 -31.707 -0.863) 32.628 5.505 ( -2.579 0.920 0.056) 2.739 5.919 ( 3.069 -5.494 0.201) 6.296 6.855 ( -5.481 10.651 0.396) 11.985 7.018 ( -15.041 23.206 -0.235) 27.655 7.565 ( 5.834 -8.405 0.623) 10.250 8.418 ( 17.586 17.444 -0.980) 24.790 8.935 ( -24.380 -5.915 0.447) 25.091 10.229 ( 7.642 -7.475 0.247) 10.693 14.437 ( -5.936 3.581 0.155) 6.934 14.971 ( 1.179 -7.804 -0.416) 7.903 15.479 ( 6.006 -0.203 -0.314) 6.018 15.703 ( 9.671 -5.875 3.162) 11.749 15.809 ( -2.178 -3.719 -1.386) 4.528 16.443 ( -3.475 4.313 -8.706) 10.319 17.079 ( -5.509 8.625 -0.972) 10.280 18.001 ( 2.830 -3.010 4.518) 6.122 18.506 ( -0.592 4.589 0.447) 4.649 18.677 ( -0.906 -1.498 -0.275) 1.772 18.976 ( 1.448 -1.890 3.695) 4.396 19.164 ( -1.381 1.256 1.483) 2.384 ======================= Grid point 212 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 2.351 -8.532 2.167) 9.112 1.333 ( -0.866 -1.921 0.707) 2.223 1.510 ( 1.804 3.475 -1.307) 4.128 1.662 ( 1.066 -1.208 2.037) 2.597 1.736 ( 4.647 -3.174 -3.341) 6.544 2.083 ( -0.369 -1.295 -0.013) 1.347 2.460 ( -10.894 -18.325 -2.527) 21.468 2.746 ( 16.265 -6.742 -0.402) 17.611 3.743 ( -10.340 9.284 0.119) 13.897 4.834 ( 24.917 -21.875 -0.905) 33.169 5.506 ( 0.645 3.063 -0.817) 3.235 5.929 ( 3.977 -5.363 0.503) 6.695 6.862 ( -5.643 9.834 -0.148) 11.338 6.997 ( -14.757 24.525 0.120) 28.622 7.559 ( 3.457 -9.625 0.885) 10.265 8.425 ( -24.251 -6.789 0.667) 25.192 8.914 ( 16.549 17.818 -0.808) 24.331 10.228 ( 2.350 -10.317 0.520) 10.594 14.439 ( 0.032 6.858 0.221) 6.862 14.979 ( 6.553 -5.035 1.923) 8.485 15.490 ( -2.187 -4.911 0.222) 5.381 15.658 ( -0.627 -8.417 0.806) 8.479 15.870 ( 5.086 -1.486 -0.205) 5.303 16.373 ( -2.666 2.488 -9.284) 9.975 17.058 ( -6.531 8.867 -0.549) 11.027 18.006 ( -0.397 -3.428 3.319) 4.788 18.537 ( -0.973 4.517 -1.137) 4.758 18.672 ( 1.535 -0.885 0.802) 1.945 18.975 ( -0.725 -2.184 3.336) 4.053 19.199 ( 2.354 2.273 1.732) 3.702 ======================= Grid point 215 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 4.494 0.340 3.034) 5.433 1.277 ( 2.531 0.674 2.374) 3.535 1.553 ( -2.657 -1.136 -3.309) 4.393 1.617 ( 2.848 -1.321 -0.830) 3.248 1.776 ( 7.496 -1.742 -3.113) 8.302 2.042 ( 4.813 10.636 -1.974) 11.840 2.103 ( 0.818 7.237 2.806) 7.805 2.924 ( 14.570 -8.179 1.493) 16.775 3.606 ( -15.038 9.159 -0.193) 17.608 5.117 ( 30.404 -19.877 -0.001) 36.325 5.568 ( -0.725 -3.355 -0.411) 3.457 5.932 ( 3.732 -0.754 -0.020) 3.807 6.868 ( -9.557 0.793 -1.159) 9.659 7.025 ( -27.229 1.934 0.015) 27.298 7.516 ( 8.861 3.825 1.023) 9.705 7.963 ( -4.756 17.389 0.911) 18.050 9.362 ( -6.300 -18.750 0.862) 19.799 10.122 ( 9.085 7.541 0.023) 11.807 14.557 ( -6.071 -7.997 0.090) 10.041 15.084 ( 8.334 -2.069 -2.910) 9.067 15.320 ( 0.775 6.805 -0.761) 6.892 15.673 ( 4.934 2.685 -1.395) 5.788 15.765 ( 0.369 2.429 4.176) 4.845 16.376 ( 4.088 -5.097 2.292) 6.924 17.039 ( -8.618 1.586 1.416) 8.877 17.987 ( 1.110 2.323 1.077) 2.791 18.523 ( -2.408 -0.423 -1.331) 2.784 18.710 ( 0.250 -0.727 -0.772) 1.090 18.985 ( -0.459 2.736 -0.312) 2.792 19.247 ( -1.540 -2.617 -2.029) 3.652 ======================= Grid point 216 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.271 1.770 1.537) 2.667 1.331 ( 1.321 1.980 1.934) 3.067 1.483 ( -1.533 -3.318 -2.574) 4.470 1.622 ( -1.104 0.229 -0.695) 1.325 1.881 ( 7.208 -1.282 -2.474) 7.728 2.064 ( -1.174 0.244 1.329) 1.790 2.460 ( 13.245 21.784 0.661) 25.503 3.107 ( 15.150 -9.503 1.386) 17.937 3.450 ( -13.103 9.048 -0.449) 15.930 5.378 ( 18.408 -12.868 0.246) 22.461 5.506 ( -0.692 -4.656 0.277) 4.715 5.938 ( -5.079 1.989 -0.868) 5.523 6.635 ( -15.103 -2.837 0.980) 15.399 6.711 ( -7.435 -2.390 -1.097) 7.886 7.775 ( 16.557 3.897 -0.018) 17.009 8.061 ( -6.840 20.681 1.039) 21.808 9.014 ( -10.460 -22.091 0.396) 24.445 10.327 ( 6.318 6.111 0.135) 8.790 14.388 ( -5.051 -5.780 -0.076) 7.676 15.130 ( 4.152 -3.392 -1.901) 5.689 15.441 ( 1.869 7.203 1.150) 7.530 15.748 ( 1.385 6.341 -0.553) 6.514 15.874 ( 5.500 1.412 1.631) 5.908 16.403 ( 4.666 -4.770 0.983) 6.745 16.893 ( -8.778 -2.693 2.049) 9.408 18.056 ( 2.712 3.892 0.894) 4.827 18.454 ( -3.603 -2.228 -1.553) 4.512 18.709 ( 0.757 -0.092 -0.518) 0.921 19.006 ( -0.252 3.361 -0.416) 3.396 19.167 ( -3.229 -2.839 -2.243) 4.850 ======================= Grid point 217 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 2.251 2.166 1.283) 3.376 1.370 ( -1.170 3.548 -0.612) 3.786 1.414 ( -0.362 -4.800 -0.213) 4.818 1.598 ( -1.452 0.565 -0.595) 1.668 1.952 ( 1.493 1.475 -0.684) 2.208 2.059 ( 1.020 -1.748 0.943) 2.232 2.857 ( 9.199 16.586 -0.208) 18.968 3.131 ( -5.257 -6.589 0.072) 8.430 3.417 ( 3.576 0.691 0.679) 3.705 5.415 ( -0.886 -2.354 -0.192) 2.522 5.555 ( 0.258 8.100 -0.884) 8.152 5.802 ( -1.938 -10.385 0.644) 10.584 6.501 ( -0.597 -0.361 0.987) 1.209 6.583 ( -2.410 -5.293 -0.698) 5.858 8.104 ( 4.897 8.430 -0.019) 9.749 8.164 ( 7.770 14.046 0.473) 16.059 8.599 ( -12.562 -21.724 -0.156) 25.095 10.444 ( 1.874 3.077 0.108) 3.604 14.288 ( -1.691 -2.501 -0.072) 3.020 15.192 ( 4.661 1.627 0.898) 5.017 15.484 ( -0.742 0.046 0.569) 0.936 15.846 ( 2.074 4.538 0.466) 5.011 15.923 ( -1.010 -0.325 -1.190) 1.594 16.478 ( 4.788 3.431 -0.816) 5.946 16.716 ( -5.070 -9.237 1.551) 10.650 18.153 ( 2.534 5.462 1.101) 6.121 18.341 ( -4.645 -4.743 -1.888) 6.902 18.732 ( 1.317 0.969 0.277) 1.658 19.042 ( 0.080 4.229 -0.060) 4.230 19.079 ( -2.596 -2.725 -1.094) 3.920 ======================= Grid point 218 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 3.495 1.501 0.381) 3.822 1.314 ( -3.836 -1.687 -0.765) 4.260 1.418 ( 0.883 1.133 -0.165) 1.446 1.586 ( -0.418 0.340 0.873) 1.025 1.963 ( -1.965 1.969 1.297) 3.070 2.062 ( 1.528 -2.418 -1.278) 3.133 2.824 ( -20.127 -0.633 -0.478) 20.143 3.134 ( 8.041 -0.778 -0.048) 8.079 3.442 ( -1.361 -0.153 -0.101) 1.374 5.402 ( 1.390 -0.592 -0.408) 1.565 5.525 ( -5.925 -0.755 0.457) 5.990 5.831 ( 8.826 0.583 0.144) 8.847 6.518 ( 1.433 -0.154 -0.403) 1.496 6.571 ( 5.022 0.549 0.120) 5.054 8.135 ( -10.266 15.160 0.990) 18.336 8.165 ( -14.606 -15.474 -0.689) 21.290 8.568 ( 24.615 0.093 -0.546) 24.621 10.448 ( -3.187 0.045 -0.020) 3.187 14.286 ( 2.964 0.081 0.070) 2.966 15.312 ( 4.688 3.723 -0.193) 5.990 15.459 ( -0.597 -1.468 1.606) 2.256 15.826 ( -5.273 -2.557 -1.929) 6.170 15.871 ( -4.547 -0.174 0.319) 4.561 16.485 ( -5.836 -1.438 0.510) 6.032 16.704 ( 10.734 -1.225 -1.541) 10.913 18.182 ( -7.726 -0.065 -0.623) 7.752 18.265 ( 4.461 -0.177 0.550) 4.499 18.765 ( 0.916 0.893 0.383) 1.336 19.014 ( -2.959 0.995 -0.184) 3.127 19.103 ( 2.581 1.867 1.272) 3.430 ======================= Grid point 219 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -2.918 -4.295 -0.531) 5.220 1.312 ( 2.092 1.571 -0.380) 2.643 1.443 ( 0.655 1.551 -0.660) 1.809 1.598 ( 0.287 0.539 2.669) 2.738 1.925 ( -2.761 -3.215 -0.597) 4.280 2.059 ( 0.200 0.635 -1.112) 1.296 2.412 ( -25.140 -0.916 -0.710) 25.167 3.106 ( 0.952 -18.356 0.568) 18.389 3.483 ( -1.867 16.071 -1.110) 16.217 5.365 ( 2.777 -23.005 0.343) 23.175 5.462 ( 3.754 -1.944 0.770) 4.297 5.967 ( 0.605 5.856 -0.042) 5.887 6.647 ( 9.222 9.616 -0.504) 13.333 6.703 ( 5.662 8.726 -0.892) 10.440 7.785 ( -12.323 -12.702 -0.222) 17.699 8.091 ( -13.177 15.379 0.697) 20.264 8.980 ( 24.817 -2.230 -0.708) 24.927 10.339 ( -8.002 -2.481 -0.074) 8.378 14.387 ( 7.743 1.355 0.266) 7.865 15.320 ( -2.910 -3.408 -4.074) 6.056 15.507 ( 1.413 2.701 4.547) 5.474 15.681 ( -6.985 -5.945 -2.742) 9.574 15.741 ( -7.155 2.532 0.437) 7.602 16.408 ( 1.942 -6.437 -0.483) 6.741 16.889 ( 7.670 6.157 -1.647) 9.973 18.040 ( -5.529 -4.030 0.349) 6.851 18.350 ( 2.664 2.928 1.786) 4.343 18.776 ( -0.007 -0.150 -0.537) 0.558 18.991 ( -2.221 2.475 0.775) 3.415 19.173 ( 2.597 1.306 2.178) 3.632 ======================= Grid point 220 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -2.195 -7.099 -0.096) 7.431 1.332 ( -0.076 -0.778 -2.103) 2.244 1.470 ( 1.192 1.274 0.454) 1.803 1.614 ( -1.218 0.122 3.497) 3.705 1.799 ( -4.178 -6.806 -3.744) 8.820 2.015 ( -13.276 0.925 1.567) 13.401 2.099 ( -2.829 3.965 -2.538) 5.492 2.928 ( 0.178 -17.295 0.315) 17.299 3.630 ( -0.663 17.838 -0.870) 17.871 5.112 ( 2.015 -36.345 0.376) 36.403 5.523 ( 3.593 -0.766 0.466) 3.703 5.958 ( -1.619 -3.984 0.106) 4.301 6.850 ( 3.668 10.413 0.319) 11.045 7.038 ( 11.823 24.422 -1.885) 27.199 7.516 ( -7.706 -6.909 0.502) 10.362 8.006 ( -12.575 12.435 0.068) 17.685 9.340 ( 20.741 -4.243 -0.631) 21.180 10.138 ( -11.110 -4.458 0.124) 11.972 14.562 ( 10.323 1.172 0.298) 10.393 15.152 ( -10.008 -3.459 -2.661) 10.918 15.447 ( -9.095 -7.872 -1.147) 12.083 15.517 ( -0.282 -2.732 3.605) 4.532 15.775 ( 2.420 5.935 -2.279) 6.802 16.409 ( 4.356 -3.521 -2.783) 6.254 17.053 ( 4.123 7.744 -1.353) 8.877 17.936 ( -2.506 -4.089 3.035) 5.676 18.426 ( 1.786 2.992 2.580) 4.335 18.763 ( -0.425 -0.587 -1.469) 1.638 18.981 ( -2.424 2.391 1.036) 3.559 19.224 ( 1.079 0.256 2.706) 2.925 ======================= Grid point 221 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.258 -11.752 -0.269) 11.758 1.290 ( 0.723 -3.810 -3.855) 5.468 1.512 ( 0.671 1.596 1.720) 2.440 1.565 ( -2.552 -1.920 2.597) 4.116 1.694 ( -0.982 -2.991 -2.259) 3.875 1.919 ( -0.247 3.168 0.748) 3.264 2.127 ( 1.890 2.357 -2.371) 3.840 2.790 ( 0.780 -12.974 -0.342) 13.002 3.789 ( -0.472 16.551 -0.777) 16.576 4.744 ( 0.348 -41.253 -0.150) 41.255 5.557 ( 1.114 -1.265 0.519) 1.764 5.873 ( -0.769 -7.624 0.064) 7.663 6.989 ( -0.652 11.573 0.245) 11.594 7.394 ( -2.571 3.761 0.742) 4.615 7.447 ( 3.066 22.113 -0.525) 22.331 7.965 ( -0.677 9.571 -1.033) 9.650 9.520 ( 1.750 -5.928 -0.539) 6.205 9.943 ( -1.229 -6.243 0.706) 6.402 14.689 ( -0.145 0.561 0.106) 0.589 14.968 ( -2.912 -5.467 -1.734) 6.432 15.262 ( -2.881 -4.690 0.512) 5.527 15.518 ( 2.718 -4.446 3.773) 6.433 15.832 ( 1.118 0.882 -3.221) 3.522 16.452 ( 3.339 2.307 -7.118) 8.193 17.165 ( 0.630 7.836 -1.127) 7.942 17.912 ( 1.103 -1.898 5.898) 6.293 18.491 ( 1.133 2.807 2.734) 4.079 18.739 ( -1.050 -0.345 -1.993) 2.279 18.963 ( -1.942 0.603 1.875) 2.766 19.231 ( -1.159 -0.919 2.525) 2.926 ======================= Grid point 222 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.965 -14.905 -0.189) 15.199 1.271 ( 3.096 -3.915 -3.679) 6.201 1.503 ( -0.889 0.642 1.114) 1.563 1.603 ( 3.805 -0.328 2.847) 4.763 1.651 ( -0.605 -1.599 -1.670) 2.390 2.005 ( 5.177 -0.611 2.314) 5.703 2.210 ( 8.527 1.295 -3.657) 9.368 2.675 ( -1.585 -9.638 -1.607) 9.899 3.917 ( -1.741 13.200 -0.495) 13.323 4.366 ( 4.184 -39.612 -0.405) 39.834 5.543 ( -1.320 -0.554 -0.024) 1.432 5.806 ( 1.970 -7.699 0.298) 7.953 7.053 ( -4.686 10.989 0.723) 11.968 7.412 ( 1.944 1.152 0.337) 2.285 7.540 ( -14.194 20.439 0.023) 24.885 8.265 ( 18.438 15.341 -1.114) 24.011 9.256 ( -19.948 -7.555 0.093) 21.331 9.996 ( 10.315 -8.290 0.893) 13.263 14.590 ( -8.416 1.859 -0.018) 8.619 14.889 ( 0.150 -7.804 0.576) 7.827 15.305 ( 9.565 -3.739 0.399) 10.277 15.546 ( 4.306 -5.890 3.551) 8.114 15.810 ( -1.367 -1.045 -1.770) 2.469 16.482 ( -0.141 5.098 -11.765) 12.822 17.220 ( -2.371 7.635 -0.852) 8.040 17.974 ( 2.351 1.500 6.387) 6.969 18.542 ( 0.671 2.878 1.459) 3.296 18.697 ( -2.462 -0.540 -1.403) 2.885 18.956 ( 0.442 -1.631 4.170) 4.499 19.199 ( -1.802 -1.409 1.736) 2.871 ======================= Grid point 223 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 4.829 -14.538 1.094) 15.358 1.278 ( 3.477 -5.013 -1.601) 6.307 1.518 ( 0.576 2.374 -0.084) 2.445 1.612 ( 0.260 -3.651 0.802) 3.747 1.678 ( 2.517 1.245 -0.896) 2.948 2.055 ( 1.895 -2.317 1.762) 3.473 2.338 ( 5.997 -11.819 -2.409) 13.471 2.553 ( 0.053 -1.447 -2.916) 3.255 3.971 ( -5.391 9.412 0.280) 10.850 4.192 ( 18.491 -31.081 -0.558) 36.170 5.524 ( -0.571 1.279 -1.062) 1.758 5.791 ( 4.361 -6.982 0.515) 8.248 7.066 ( -6.136 10.146 0.977) 11.897 7.451 ( 2.232 -3.092 0.046) 3.814 7.490 ( -14.703 23.201 0.240) 27.469 8.725 ( 1.460 7.638 0.063) 7.776 8.819 ( -6.634 0.539 -0.166) 6.658 10.053 ( 6.260 -10.862 1.077) 12.583 14.520 ( -2.740 4.525 0.024) 5.289 14.857 ( 3.196 -5.171 3.361) 6.946 15.384 ( 5.814 -10.494 -0.893) 12.030 15.565 ( 3.173 -5.736 2.288) 6.943 15.801 ( 1.492 0.979 0.563) 1.871 16.435 ( -4.499 4.637 -13.401) 14.877 17.231 ( -4.556 7.291 -0.549) 8.615 18.028 ( -1.471 1.588 3.957) 4.510 18.582 ( -0.087 3.597 -1.467) 3.886 18.656 ( -0.435 -0.925 1.063) 1.475 18.972 ( 0.773 -2.726 5.983) 6.620 19.186 ( 1.205 -0.212 1.097) 1.643 ======================= Grid point 226 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 14.534 -3.555 2.307) 15.139 1.228 ( 6.455 1.431 2.919) 7.227 1.530 ( 0.112 -1.345 -2.983) 3.274 1.616 ( -1.610 1.773 0.173) 2.401 1.666 ( 3.163 -1.004 -3.151) 4.576 2.040 ( 2.806 4.102 -3.194) 5.908 2.163 ( 3.324 8.428 3.666) 9.774 2.654 ( 8.291 -7.024 1.692) 10.997 3.913 ( -12.067 5.451 0.150) 13.242 4.363 ( 35.764 -16.427 0.118) 39.357 5.544 ( -0.027 -2.181 -0.184) 2.189 5.808 ( 7.535 -1.874 -0.075) 7.765 7.066 ( -11.828 1.755 -1.282) 12.026 7.411 ( 0.751 2.010 0.623) 2.234 7.542 ( -25.434 -1.874 -0.153) 25.504 8.250 ( -4.248 24.026 1.094) 24.423 9.254 ( -3.555 -20.632 0.432) 20.941 10.004 ( 11.746 4.985 -0.394) 12.766 14.589 ( -5.683 -6.266 0.208) 8.462 14.914 ( 7.337 -1.866 -3.214) 8.225 15.312 ( 7.776 5.339 -0.675) 9.457 15.577 ( 6.668 0.194 -0.707) 6.708 15.793 ( -0.931 -0.171 0.594) 1.118 16.353 ( -2.623 -0.357 7.772) 8.210 17.210 ( -8.245 1.914 0.683) 8.492 18.011 ( -1.491 2.457 0.403) 2.902 18.560 ( -2.378 0.303 -0.744) 2.509 18.693 ( 0.160 -1.305 -0.817) 1.548 19.000 ( 1.010 1.851 -2.661) 3.396 19.220 ( 0.655 -2.807 -1.595) 3.294 ======================= Grid point 227 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 7.289 -2.464 0.262) 7.699 1.327 ( 2.823 2.223 1.381) 3.850 1.480 ( -2.421 -1.494 -1.804) 3.369 1.647 ( -0.050 2.460 0.862) 2.607 1.719 ( 7.107 -1.481 -2.220) 7.591 2.084 ( 0.387 0.618 -0.146) 0.744 2.452 ( 11.658 18.032 1.448) 21.521 2.749 ( 13.615 -12.015 1.655) 18.234 3.745 ( -13.280 4.307 -0.271) 13.963 4.810 ( 31.277 -9.320 0.957) 32.650 5.503 ( -1.875 -2.320 0.298) 2.998 5.923 ( 6.220 0.067 -0.268) 6.227 6.865 ( -11.857 0.155 -1.115) 11.910 7.017 ( -27.913 -1.306 -0.132) 27.944 7.570 ( 10.240 1.195 -0.101) 10.309 8.405 ( -6.476 24.234 1.139) 25.111 8.938 ( -7.079 -23.784 0.061) 24.815 10.232 ( 9.937 3.065 -0.221) 10.401 14.439 ( -6.004 -3.316 -0.036) 6.859 14.990 ( 6.601 -2.082 -3.289) 7.664 15.475 ( 3.155 5.480 0.121) 6.325 15.733 ( 10.263 2.771 -0.942) 10.672 15.791 ( 0.879 -0.462 0.990) 1.403 16.334 ( -1.248 -3.074 7.794) 8.470 17.065 ( -10.484 -0.054 1.128) 10.545 18.033 ( 2.027 1.304 -0.532) 2.468 18.509 ( -3.904 0.112 0.076) 3.906 18.685 ( 1.037 -0.669 -1.451) 1.905 19.020 ( 0.786 1.214 -3.057) 3.382 19.183 ( -1.677 -1.062 -1.525) 2.503 ======================= Grid point 228 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 4.088 -1.631 -0.630) 4.446 1.369 ( 0.708 -2.224 -0.567) 2.402 1.437 ( -2.008 3.121 0.812) 3.799 1.640 ( -2.166 1.284 -0.415) 2.552 1.853 ( 8.438 0.453 -1.084) 8.519 2.075 ( -1.692 -0.384 1.267) 2.149 2.764 ( 10.952 -1.238 0.426) 11.030 2.945 ( 16.405 0.219 1.070) 16.442 3.545 ( -12.203 -0.124 -0.096) 12.204 5.243 ( 23.596 0.838 0.758) 23.623 5.454 ( -1.772 -0.362 0.208) 1.820 5.961 ( -5.220 0.853 -0.272) 5.296 6.594 ( -15.934 -1.377 -0.305) 15.997 6.684 ( -9.657 0.104 -0.001) 9.658 7.803 ( 16.817 -0.355 -0.611) 16.832 8.474 ( -8.587 4.024 0.788) 9.516 8.601 ( -9.573 -4.418 -0.019) 10.543 10.387 ( 6.420 -0.088 -0.082) 6.421 14.331 ( -4.631 0.133 -0.129) 4.634 15.092 ( 7.281 1.320 -1.664) 7.585 15.511 ( -1.302 0.121 -0.093) 1.311 15.818 ( 3.773 -3.261 0.599) 5.022 15.904 ( 3.767 2.474 0.321) 4.518 16.359 ( 5.389 -0.586 3.439) 6.419 16.864 ( -12.620 -1.443 0.988) 12.740 18.095 ( 4.728 -0.867 -0.543) 4.838 18.428 ( -6.048 0.896 0.468) 6.131 18.707 ( 2.131 0.465 -1.103) 2.444 19.023 ( 0.995 -1.614 -1.472) 2.401 19.144 ( -2.893 2.874 -1.283) 4.275 ======================= Grid point 229 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 3.720 -2.045 -1.233) 4.420 1.329 ( -0.770 -3.797 1.491) 4.151 1.461 ( -1.164 5.272 -0.737) 5.450 1.613 ( -1.772 0.956 0.126) 2.018 1.975 ( 5.090 1.570 -1.065) 5.432 2.030 ( -2.931 -1.909 0.829) 3.595 2.842 ( 9.557 -17.839 0.815) 20.254 3.126 ( -6.767 5.183 0.064) 8.524 3.416 ( 3.955 -0.437 -0.582) 4.021 5.410 ( -1.486 1.744 0.466) 2.338 5.556 ( -0.784 -8.515 0.687) 8.578 5.812 ( -1.843 11.763 -0.953) 11.945 6.480 ( 0.355 -0.600 -0.334) 0.773 6.595 ( -2.188 5.442 0.397) 5.879 8.118 ( 20.209 -1.577 -0.680) 20.282 8.158 ( -7.983 -21.221 -0.135) 22.673 8.581 ( -11.897 21.127 0.855) 24.261 10.443 ( 1.959 -3.115 -0.079) 3.680 14.290 ( -1.676 2.712 -0.033) 3.188 15.233 ( 6.463 3.271 -2.834) 7.778 15.468 ( -1.342 -2.056 0.611) 2.530 15.834 ( 0.805 -4.268 0.351) 4.357 15.902 ( -1.122 -3.445 1.425) 3.893 16.490 ( 3.564 -5.083 0.128) 6.209 16.673 ( -5.928 6.933 0.395) 9.130 18.138 ( 2.881 -5.881 -0.411) 6.561 18.352 ( -5.189 4.859 1.343) 7.235 18.746 ( 1.965 0.554 -0.938) 2.246 19.017 ( 1.174 -2.400 0.886) 2.815 19.138 ( -1.757 4.982 -0.994) 5.376 ======================= Grid point 230 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.698 -5.960 -0.961) 6.078 1.310 ( 0.853 -1.340 2.300) 2.795 1.482 ( -1.742 5.296 -2.440) 6.086 1.609 ( 0.032 0.475 1.748) 1.811 1.938 ( -3.953 -4.745 -1.757) 6.421 2.050 ( 2.050 2.261 -0.601) 3.111 2.729 ( -8.469 -9.289 0.843) 12.598 2.913 ( -5.373 -15.604 0.223) 16.505 3.587 ( 5.961 10.643 -1.488) 12.289 5.204 ( -12.132 -21.066 0.957) 24.328 5.428 ( 0.381 1.747 0.748) 1.938 5.988 ( 1.759 3.473 -1.026) 4.026 6.607 ( 9.556 14.848 -0.342) 17.660 6.705 ( 4.494 9.615 -0.489) 10.625 7.819 ( -8.736 -15.848 -0.037) 18.096 8.442 ( 8.731 5.290 0.440) 10.218 8.598 ( 0.985 9.997 0.139) 10.046 10.392 ( -2.812 -5.568 -0.104) 6.239 14.328 ( 2.229 3.901 0.187) 4.497 15.272 ( -0.145 -2.840 -6.573) 7.161 15.499 ( 4.066 1.552 2.044) 4.808 15.739 ( -5.717 -5.760 2.207) 8.410 15.860 ( -2.679 -1.791 0.460) 3.256 16.333 ( -4.399 -8.358 -1.005) 9.498 16.842 ( 7.104 10.879 -0.341) 12.998 18.063 ( -2.932 -6.933 1.141) 7.613 18.375 ( -0.033 5.317 1.982) 5.674 18.764 ( 0.571 -0.404 -1.375) 1.543 19.032 ( 0.904 0.408 1.930) 2.170 19.165 ( 0.254 3.213 -0.079) 3.224 ======================= Grid point 231 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -2.569 -10.151 0.030) 10.471 1.325 ( 0.676 -1.752 1.062) 2.157 1.489 ( -1.370 3.833 -2.040) 4.553 1.632 ( 0.746 0.168 2.474) 2.589 1.797 ( -4.530 -5.343 -4.255) 8.196 2.087 ( 0.275 1.362 0.041) 1.390 2.399 ( -21.769 -0.384 -0.243) 21.774 2.732 ( 3.293 -18.520 0.111) 18.811 3.774 ( 2.595 13.578 -1.030) 13.862 4.791 ( -6.412 -32.028 0.842) 32.675 5.469 ( 2.182 0.943 0.629) 2.459 5.941 ( -2.693 -6.209 -0.165) 6.770 6.888 ( 4.967 11.923 -0.746) 12.938 7.033 ( 14.719 24.301 -1.448) 28.448 7.563 ( -6.678 -9.576 0.716) 11.697 8.424 ( -16.858 17.176 0.714) 24.077 8.897 ( 24.109 -5.660 -0.166) 24.765 10.242 ( -7.260 -7.247 0.003) 10.258 14.438 ( 6.160 3.457 0.263) 7.069 15.176 ( -2.283 -5.802 -6.488) 8.998 15.537 ( -4.887 -3.417 -1.381) 6.121 15.559 ( -6.654 -5.678 5.758) 10.472 15.801 ( -1.943 1.307 0.752) 2.459 16.275 ( 4.652 -2.483 -3.875) 6.544 17.051 ( 5.560 9.570 -0.483) 11.078 17.958 ( -3.113 -4.773 4.289) 7.132 18.443 ( 1.283 3.805 2.509) 4.735 18.752 ( -0.182 -1.003 -1.811) 2.078 19.053 ( -1.516 2.696 0.802) 3.195 19.204 ( 1.817 0.089 1.250) 2.207 ======================= Grid point 232 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -2.979 -15.004 -1.008) 15.330 1.263 ( -3.810 -6.396 -1.010) 7.513 1.510 ( 0.923 2.073 0.519) 2.327 1.619 ( -2.897 -1.950 0.533) 3.532 1.697 ( -1.429 0.140 -1.934) 2.408 2.052 ( -8.761 0.267 2.989) 9.261 2.130 ( -4.269 2.146 -4.199) 6.361 2.645 ( 2.985 -10.720 -0.540) 11.141 3.933 ( 1.012 13.298 -0.690) 13.355 4.359 ( -3.502 -39.441 0.479) 39.599 5.514 ( 2.280 -0.490 0.614) 2.412 5.822 ( -2.367 -8.062 0.065) 8.403 7.079 ( 3.587 12.286 -1.084) 12.845 7.411 ( -3.419 -3.483 1.313) 5.054 7.531 ( 15.201 24.305 -1.228) 28.694 8.279 ( -18.507 15.138 0.153) 23.910 9.223 ( 20.660 -7.187 0.044) 21.875 10.013 ( -10.248 -8.237 0.474) 13.157 14.591 ( 8.182 1.592 -0.040) 8.335 15.023 ( -6.354 -5.675 -4.872) 9.814 15.304 ( -8.731 -7.142 0.255) 11.283 15.489 ( -2.112 -5.217 6.830) 8.850 15.812 ( 0.835 0.425 -0.868) 1.277 16.359 ( 6.214 3.435 -7.695) 10.470 17.209 ( 2.915 8.161 -0.469) 8.679 17.922 ( -0.330 -1.055 7.389) 7.471 18.510 ( 1.280 2.855 3.007) 4.340 18.730 ( -0.061 -1.048 -2.165) 2.406 19.033 ( -3.622 2.132 -0.328) 4.215 19.227 ( 0.975 -2.051 1.786) 2.889 ======================= Grid point 233 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.727 -17.438 -2.153) 17.586 1.123 ( 1.141 -10.593 -3.824) 11.320 1.530 ( -0.709 -0.455 0.708) 1.100 1.581 ( -0.208 0.612 3.341) 3.403 1.671 ( -2.032 -0.286 -0.414) 2.093 1.985 ( -1.278 2.192 2.263) 3.400 2.124 ( 2.146 0.672 -3.768) 4.388 2.601 ( 1.174 -5.264 -2.270) 5.852 3.923 ( -0.481 -40.591 0.309) 40.595 4.059 ( -0.084 10.756 -0.409) 10.764 5.536 ( 0.920 -1.156 0.327) 1.513 5.720 ( -0.450 -7.320 0.184) 7.337 7.218 ( -1.198 11.022 0.120) 11.088 7.372 ( 0.896 -0.278 0.360) 1.005 7.998 ( 1.454 27.209 0.081) 27.248 8.143 ( -1.995 9.250 -1.014) 9.517 9.376 ( 1.390 -8.148 -0.158) 8.267 9.801 ( -1.014 -8.937 1.628) 9.140 14.702 ( 1.204 0.613 0.013) 1.351 14.832 ( -5.362 -6.026 -1.906) 8.289 15.160 ( 0.624 -7.718 1.001) 7.808 15.457 ( 1.508 -5.589 5.650) 8.089 15.816 ( -0.250 0.451 -0.795) 0.948 16.453 ( 3.467 5.320 -9.922) 11.780 17.306 ( 0.195 6.892 -0.356) 6.904 17.991 ( 2.600 4.217 6.996) 8.572 18.564 ( 0.669 2.226 2.702) 3.564 18.711 ( -0.327 -0.714 -2.044) 2.189 18.979 ( -3.246 -0.644 0.868) 3.422 19.207 ( -0.919 -3.301 1.495) 3.739 ======================= Grid point 234 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 5.302 -16.898 -1.497) 17.773 1.084 ( 7.908 -12.011 -5.010) 15.228 1.529 ( 0.450 0.265 1.859) 1.931 1.604 ( -0.585 -1.595 3.980) 4.327 1.628 ( 1.725 -3.047 -0.793) 3.590 2.018 ( 1.117 0.758 2.376) 2.733 2.174 ( 4.148 -1.083 -2.561) 4.994 2.549 ( -1.598 -1.349 -4.444) 4.911 3.612 ( 9.695 -35.124 0.708) 36.444 4.130 ( -2.464 8.038 0.038) 8.407 5.532 ( -0.066 -0.233 -0.811) 0.846 5.670 ( 2.149 -6.176 0.385) 6.551 7.260 ( -4.672 8.492 2.268) 9.954 7.409 ( 1.502 1.437 -1.612) 2.630 7.950 ( -15.335 18.390 0.085) 23.945 8.576 ( 20.708 16.803 -0.283) 26.669 9.089 ( -20.280 -9.404 0.285) 22.356 9.823 ( 8.726 -10.188 1.873) 13.545 14.620 ( -5.940 1.019 -0.007) 6.026 14.784 ( 2.337 -4.283 2.971) 5.713 15.151 ( 6.814 -10.919 -0.137) 12.871 15.469 ( 3.335 -4.816 2.841) 6.510 15.815 ( -0.628 1.656 0.083) 1.774 16.483 ( -1.375 5.550 -10.116) 11.620 17.350 ( -2.158 5.882 -0.267) 6.271 18.104 ( -0.204 7.250 1.121) 7.339 18.601 ( 0.528 2.307 0.327) 2.389 18.675 ( -2.129 -0.833 -0.463) 2.332 18.948 ( 0.989 -3.759 6.096) 7.230 19.165 ( -0.109 -2.894 0.758) 2.994 ======================= Grid point 270 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( -0.000 0.000 11.370) 11.370 0.308 ( -0.000 0.000 11.370) 11.370 0.343 ( -0.000 0.000 11.903) 11.903 1.578 ( 0.000 -0.000 -4.507) 4.507 1.578 ( 0.000 -0.000 -4.507) 4.507 2.225 ( -0.000 0.000 2.317) 2.317 2.225 ( -0.000 0.000 2.317) 2.317 2.397 ( -0.000 0.000 1.734) 1.734 3.305 ( 0.000 -0.000 -1.946) 1.946 4.311 ( 0.000 -0.000 -0.076) 0.076 5.505 ( 0.000 -0.000 -0.251) 0.251 5.505 ( 0.000 -0.000 -0.251) 0.251 7.408 ( 0.000 -0.000 -3.748) 3.748 7.663 ( -0.000 0.000 3.138) 3.138 8.507 ( -0.000 0.000 0.022) 0.022 8.507 ( 0.000 0.000 0.022) 0.022 8.974 ( -0.000 0.000 0.075) 0.075 8.974 ( -0.000 0.000 0.075) 0.075 14.620 ( -0.000 0.000 0.486) 0.486 14.620 ( 0.000 0.000 0.486) 0.486 14.751 ( -0.000 -0.000 0.241) 0.241 14.751 ( -0.000 -0.000 0.241) 0.241 15.899 ( 0.000 -0.000 -0.105) 0.105 15.899 ( 0.000 0.000 -0.105) 0.105 17.506 ( 0.000 -0.000 -0.010) 0.010 18.624 ( 0.000 -0.000 -0.094) 0.094 18.661 ( 0.000 -0.000 -0.186) 0.186 18.661 ( 0.000 -0.000 -0.186) 0.186 19.042 ( 0.000 -0.000 -0.055) 0.055 19.246 ( -0.000 0.000 0.292) 0.292 ======================= Grid point 271 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 0.538 -1.270 9.751) 9.848 0.550 ( 18.593 -2.219 7.582) 20.202 0.957 ( 26.997 22.326 4.789) 35.359 1.561 ( -1.415 5.169 -4.848) 7.227 1.595 ( 1.936 -0.873 -3.277) 3.905 2.213 ( -1.353 -1.998 2.372) 3.384 2.244 ( -5.179 -2.064 1.930) 5.900 2.498 ( 14.702 6.669 0.890) 16.169 3.061 ( -12.750 -6.271 5.870) 15.373 4.289 ( -2.138 -1.141 -0.136) 2.427 5.519 ( 1.315 0.746 -0.321) 1.546 5.537 ( 2.702 0.239 0.243) 2.723 7.345 ( -2.891 -1.157 -2.627) 4.074 7.617 ( -4.432 -2.790 2.061) 5.628 8.440 ( -4.993 -3.284 0.121) 5.977 8.737 ( -2.997 -0.500 -4.887) 5.755 9.046 ( 3.323 10.054 -0.568) 10.604 9.080 ( 20.296 3.716 -6.495) 21.631 14.621 ( -1.278 6.006 0.240) 6.145 14.730 ( -1.441 0.338 -0.114) 1.484 14.828 ( 5.996 3.487 0.235) 6.940 14.938 ( 20.091 3.717 -8.869) 22.274 15.886 ( -1.096 -1.144 -0.059) 1.585 16.162 ( 20.711 11.715 -6.103) 24.565 17.486 ( -1.806 -1.065 0.048) 2.097 18.463 ( -16.162 -12.867 0.866) 20.676 18.641 ( 0.076 -3.534 -0.202) 3.540 18.646 ( 1.962 0.480 -0.516) 2.084 19.039 ( -3.803 1.189 1.572) 4.283 19.112 ( -5.421 1.431 3.235) 6.473 ======================= Grid point 272 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 5.309 3.180 3.840) 7.284 0.887 ( 16.609 1.099 5.382) 17.494 1.484 ( 12.707 8.925 0.205) 15.530 1.581 ( -1.076 6.703 -4.365) 8.071 1.613 ( 3.341 1.112 1.099) 3.689 2.095 ( -7.252 -2.036 1.057) 7.607 2.196 ( -0.279 -2.182 3.289) 3.957 2.738 ( -2.663 -4.853 7.825) 9.585 3.154 ( 26.972 17.066 -2.424) 32.010 4.207 ( -5.458 -2.783 -0.087) 6.127 5.552 ( 2.073 -0.503 -0.079) 2.134 5.603 ( 3.648 2.475 0.529) 4.440 7.281 ( -2.744 0.040 -2.156) 3.490 7.485 ( -6.947 -5.186 0.676) 8.696 8.298 ( -7.562 -3.557 0.418) 8.367 8.465 ( -16.936 -10.068 -0.769) 19.717 9.206 ( 7.417 4.575 -0.103) 8.715 9.452 ( 15.385 9.210 -6.247) 18.988 14.678 ( 2.188 -0.224 -0.189) 2.208 14.722 ( -2.114 7.964 1.193) 8.325 15.004 ( 9.001 4.559 0.335) 10.096 15.192 ( 12.324 1.356 -7.083) 14.279 15.850 ( -1.351 -0.962 0.062) 1.660 16.590 ( 16.328 6.819 1.328) 17.745 17.422 ( -3.889 -2.340 0.193) 4.542 17.996 ( -16.966 -15.397 -4.342) 23.318 18.596 ( -0.952 -3.229 -0.342) 3.383 18.695 ( 3.049 0.626 -1.023) 3.276 18.977 ( -6.418 4.933 1.489) 8.230 19.136 ( 1.735 2.637 -0.293) 3.170 ======================= Grid point 273 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 10.145 6.215 -1.082) 11.946 1.143 ( 9.650 0.500 4.209) 10.540 1.572 ( 0.138 0.623 -0.714) 0.958 1.624 ( 0.473 6.382 -2.521) 6.878 1.762 ( 5.239 1.500 2.692) 6.078 1.986 ( -4.417 -0.111 -0.007) 4.418 2.205 ( 1.270 -1.460 3.499) 3.999 2.655 ( -1.371 -2.529 2.764) 3.989 3.935 ( 38.057 21.347 0.044) 43.635 4.042 ( -9.692 -4.827 0.236) 10.830 5.575 ( 1.565 -0.702 -0.350) 1.751 5.717 ( 5.707 4.019 0.417) 6.992 7.219 ( -7.168 0.211 0.690) 7.204 7.320 ( -2.587 -5.129 -2.307) 6.191 8.001 ( -24.317 -11.455 0.193) 26.881 8.126 ( -7.218 -6.297 0.643) 9.600 9.372 ( 7.259 3.253 0.031) 7.955 9.728 ( 10.190 6.968 -2.590) 12.613 14.672 ( 0.230 -1.550 -0.448) 1.630 14.839 ( 2.504 9.768 2.449) 10.377 15.182 ( 6.287 2.873 -0.147) 6.914 15.358 ( 8.928 1.777 -4.880) 10.329 15.848 ( 1.563 1.045 0.775) 2.034 16.753 ( -2.978 -7.636 14.708) 16.838 17.308 ( -6.061 -3.658 0.260) 7.084 17.693 ( -0.630 -2.272 -13.838) 14.037 18.548 ( -0.975 -2.646 -0.776) 2.925 18.746 ( 2.690 0.167 -0.489) 2.739 18.925 ( -4.947 3.903 -0.811) 6.353 19.189 ( 1.681 2.584 -1.529) 3.441 ======================= Grid point 274 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 9.430 6.000 -1.546) 11.284 1.263 ( 3.420 -0.699 3.177) 4.720 1.569 ( -0.705 0.180 -0.431) 0.846 1.675 ( 0.174 4.048 -2.330) 4.674 1.826 ( 1.606 -0.870 1.950) 2.672 1.940 ( -1.387 0.763 0.759) 1.755 2.189 ( -3.016 -3.542 2.679) 5.369 2.737 ( 9.809 4.475 -0.215) 10.784 3.784 ( -13.812 -7.135 0.748) 15.564 4.786 ( 36.636 20.237 0.461) 41.856 5.592 ( 1.426 -0.503 -0.911) 1.765 5.866 ( 6.044 4.233 0.613) 7.404 7.014 ( -11.196 -5.508 -0.391) 12.483 7.322 ( 1.137 2.671 -1.094) 3.102 7.446 ( -23.231 -15.157 0.626) 27.745 7.944 ( -7.964 -4.639 0.893) 9.260 9.507 ( 5.406 1.617 0.388) 5.656 9.915 ( 5.983 4.607 -0.760) 7.590 14.664 ( 0.145 -0.335 -0.168) 0.402 14.985 ( 3.270 6.480 2.012) 7.532 15.266 ( 1.651 3.002 -0.609) 3.480 15.492 ( 6.749 1.459 -2.487) 7.340 15.901 ( 0.539 -0.548 2.027) 2.168 16.567 ( -7.744 -9.779 8.267) 14.965 17.152 ( -7.533 -4.737 0.901) 8.944 17.761 ( 8.073 4.433 -7.059) 11.604 18.507 ( -0.391 -1.954 -1.722) 2.633 18.775 ( 0.128 -0.075 1.164) 1.173 18.890 ( -1.446 2.347 -2.287) 3.581 19.229 ( 1.108 2.335 -2.254) 3.430 ======================= Grid point 275 (144/226) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.555 3.927 0.566) 6.827 1.297 ( 0.510 -0.857 2.762) 2.936 1.551 ( -0.904 -0.024 -0.927) 1.295 1.688 ( -0.359 1.008 -2.292) 2.529 1.829 ( 0.288 -0.936 0.112) 0.986 1.950 ( -0.805 0.043 0.386) 0.893 2.077 ( -4.504 -3.565 0.814) 5.802 3.036 ( 16.214 8.817 -0.119) 18.456 3.451 ( -16.211 -8.686 0.978) 18.418 5.516 ( 25.428 14.331 -0.104) 29.188 5.603 ( 1.049 -0.686 -0.977) 1.589 5.946 ( -2.845 -0.290 0.323) 2.878 6.775 ( -7.553 -4.908 -1.462) 9.125 6.952 ( -14.393 -8.069 1.473) 16.566 7.429 ( 4.575 2.287 0.295) 5.123 7.791 ( -5.371 -2.228 0.842) 5.876 9.584 ( 2.453 -0.329 0.732) 2.581 10.014 ( 1.925 2.180 -0.017) 2.908 14.667 ( 0.123 0.432 0.064) 0.453 15.062 ( 1.142 0.289 0.166) 1.190 15.333 ( -0.328 8.095 -0.288) 8.107 15.599 ( 5.469 0.633 0.298) 5.513 15.790 ( -7.003 -8.997 2.004) 11.576 16.500 ( 1.050 -0.457 1.085) 1.577 16.996 ( -4.870 -3.638 1.781) 6.335 17.898 ( 4.781 2.596 -1.025) 5.536 18.487 ( 0.875 -0.793 -2.934) 3.163 18.759 ( -2.065 0.059 1.121) 2.350 18.907 ( 1.798 1.073 -1.029) 2.333 19.256 ( 0.788 2.044 -2.343) 3.207 ======================= Grid point 276 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.282 0.634 3.113) 3.189 1.291 ( -1.395 -1.286 2.707) 3.305 1.540 ( 0.669 0.055 -2.184) 2.285 1.661 ( -2.586 0.530 -2.674) 3.757 1.812 ( -6.658 -5.302 -0.730) 8.542 1.859 ( 1.624 0.570 -0.458) 1.781 2.067 ( 1.909 0.712 0.308) 2.061 3.093 ( -15.575 -8.833 0.916) 17.929 3.417 ( 16.920 9.831 0.370) 19.572 5.486 ( -26.767 -15.277 -0.467) 30.823 5.597 ( -0.583 -1.015 -1.374) 1.805 5.943 ( 1.761 2.276 0.180) 2.884 6.839 ( 2.956 1.121 -0.688) 3.235 6.890 ( 19.087 9.611 0.873) 21.389 7.469 ( -1.759 -1.178 1.044) 2.361 7.787 ( 4.060 3.931 0.751) 5.701 9.586 ( -0.961 -2.403 0.808) 2.712 10.023 ( -1.984 -0.107 0.171) 1.994 14.676 ( 0.147 0.768 0.226) 0.815 15.045 ( -1.755 -2.442 -0.317) 3.024 15.349 ( -6.184 5.310 -0.674) 8.179 15.632 ( -1.695 -5.191 -1.299) 5.613 15.704 ( 5.542 -0.114 3.273) 6.438 16.461 ( -4.806 -2.948 0.637) 5.674 16.998 ( 4.968 2.016 1.764) 5.644 17.956 ( 1.052 0.287 0.143) 1.100 18.499 ( 2.199 0.449 -3.432) 4.101 18.731 ( -1.526 0.011 0.907) 1.775 18.947 ( 1.818 0.742 0.034) 1.964 19.273 ( 0.064 1.404 -2.088) 2.517 ======================= Grid point 277 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -9.126 -6.098 3.433) 11.500 1.247 ( -3.684 -1.831 2.838) 4.999 1.554 ( 1.625 -0.404 -4.348) 4.660 1.584 ( -4.206 0.865 -0.698) 4.350 1.686 ( -2.203 -1.111 -0.879) 2.619 1.927 ( 3.707 1.637 -0.537) 4.088 2.102 ( 1.416 -0.482 1.372) 2.030 2.783 ( -11.385 -7.090 0.783) 13.435 3.779 ( 14.185 8.615 0.674) 16.610 4.745 ( -35.841 -20.515 -0.417) 41.299 5.567 ( -0.864 -1.586 -1.057) 2.093 5.872 ( -6.786 -3.058 0.255) 7.447 6.993 ( 9.569 5.483 -0.364) 11.034 7.401 ( 1.988 4.179 -0.378) 4.644 7.437 ( 21.746 8.351 0.976) 23.315 7.952 ( 7.557 5.985 1.066) 9.698 9.513 ( -4.104 -4.221 0.554) 5.914 9.949 ( -5.442 -2.035 -0.140) 5.812 14.689 ( 0.420 0.530 0.195) 0.704 14.952 ( -6.187 -1.948 0.779) 6.534 15.273 ( -4.441 -0.180 -1.077) 4.573 15.565 ( -2.081 -3.000 -3.264) 4.898 15.793 ( 2.170 0.597 2.603) 3.442 16.374 ( -0.676 -2.618 4.789) 5.500 17.151 ( 7.448 3.829 0.894) 8.422 17.964 ( 1.165 -0.203 -2.187) 2.487 18.531 ( 2.420 0.709 -3.344) 4.188 18.716 ( -0.942 0.133 1.445) 1.730 18.977 ( 0.575 1.053 -0.310) 1.239 19.260 ( -1.641 0.284 -1.868) 2.503 ======================= Grid point 282 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 0.873 -0.032 8.988) 9.030 0.612 ( -14.663 17.527 7.256) 23.976 0.937 ( 8.061 32.161 4.612) 33.476 1.507 ( 3.273 -1.086 -5.224) 6.259 1.605 ( -0.033 3.492 -3.339) 4.832 2.225 ( -1.033 -3.526 2.562) 4.479 2.249 ( 0.888 -4.328 1.677) 4.726 2.501 ( -1.417 15.985 1.192) 16.092 3.082 ( 0.752 -13.705 4.208) 14.356 4.292 ( 0.080 -2.012 -0.107) 2.017 5.516 ( 0.127 1.565 0.065) 1.571 5.534 ( -1.176 1.971 -0.225) 2.307 7.336 ( 0.427 -2.705 -2.485) 3.698 7.625 ( -0.187 -5.574 1.831) 5.870 8.453 ( -0.498 -5.183 0.204) 5.210 8.710 ( 1.384 -0.779 -4.558) 4.827 9.042 ( 10.459 9.596 -1.355) 14.258 9.059 ( -10.606 14.790 -3.651) 18.562 14.665 ( 9.006 3.881 0.417) 9.815 14.731 ( -0.689 0.228 -0.355) 0.808 14.808 ( -0.970 6.196 0.177) 6.274 14.884 ( -7.419 16.011 -6.511) 18.809 15.875 ( -0.456 -1.808 -0.123) 1.869 16.148 ( 0.005 22.766 -4.232) 23.156 17.486 ( -0.019 -2.050 0.047) 2.051 18.461 ( -1.960 -20.040 0.282) 20.138 18.636 ( -1.571 -0.083 -0.324) 1.606 18.656 ( -2.308 0.385 -0.007) 2.340 19.055 ( 1.499 0.403 0.165) 1.561 19.110 ( 4.471 -7.446 3.408) 9.330 ======================= Grid point 283 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -1.116 4.321 5.617) 7.174 0.776 ( 6.651 16.469 5.672) 18.645 1.389 ( 11.393 15.470 1.575) 19.277 1.548 ( 3.479 -0.660 -3.723) 5.138 1.645 ( 1.106 6.001 -2.043) 6.435 2.152 ( -2.609 -7.388 1.458) 7.969 2.208 ( -1.382 -0.601 2.629) 3.030 2.723 ( 3.087 4.855 7.329) 9.318 3.035 ( 6.501 11.559 -2.000) 13.411 4.245 ( -2.555 -3.409 -0.104) 4.262 5.530 ( 0.176 0.097 0.542) 0.578 5.573 ( 2.729 3.470 -0.028) 4.415 7.301 ( -0.942 -0.782 -2.253) 2.564 7.525 ( -4.306 -7.686 0.960) 8.862 8.274 ( -7.847 -12.287 0.485) 14.587 8.803 ( -0.972 0.419 -2.803) 2.997 8.912 ( -0.486 -3.009 -0.097) 3.049 9.413 ( 11.267 19.874 -4.933) 23.372 14.675 ( -2.976 -1.422 0.128) 3.301 14.849 ( 0.726 8.812 0.723) 8.871 14.940 ( 6.621 8.136 0.175) 10.491 14.985 ( 9.221 8.460 -6.619) 14.157 15.846 ( -0.660 -2.170 -0.145) 2.273 16.466 ( 10.906 19.608 -1.105) 22.464 17.444 ( -1.929 -3.301 0.165) 3.827 18.069 ( -14.006 -24.533 0.487) 28.254 18.587 ( -1.426 -2.354 -0.232) 2.762 18.670 ( 0.894 2.103 -0.545) 2.350 19.070 ( -1.137 1.053 -0.963) 1.825 19.130 ( 1.913 -0.485 0.431) 2.020 ======================= Grid point 284 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 4.160 9.577 0.164) 10.443 1.069 ( 7.241 11.076 4.481) 13.971 1.561 ( 1.511 0.889 -2.401) 2.973 1.612 ( 4.546 1.853 -0.963) 5.003 1.753 ( 2.847 7.360 1.763) 8.086 2.051 ( -3.089 -2.236 -1.145) 3.982 2.221 ( 0.014 3.085 3.260) 4.488 2.665 ( -3.416 -7.283 5.202) 9.579 3.593 ( 27.806 27.585 -0.780) 39.175 4.132 ( -6.092 -4.987 0.140) 7.874 5.534 ( 0.945 -1.581 0.083) 1.843 5.678 ( 4.484 5.115 0.229) 6.806 7.286 ( -0.259 2.248 -1.978) 3.005 7.345 ( -7.346 -8.859 0.491) 11.519 7.973 ( -9.027 -20.958 0.371) 22.822 8.556 ( -23.723 9.161 0.103) 25.430 9.055 ( 18.129 -12.899 -0.921) 22.269 9.738 ( 7.157 17.419 -2.620) 19.013 14.615 ( -0.417 -4.587 -0.032) 4.606 14.952 ( 0.093 11.322 1.156) 11.381 15.141 ( 6.626 8.787 -0.935) 11.045 15.212 ( 9.740 6.782 -3.368) 12.337 15.822 ( 0.842 -1.710 0.100) 1.909 16.760 ( 3.571 1.861 11.933) 12.594 17.355 ( -4.171 -4.822 0.344) 6.385 17.657 ( -7.059 -9.971 -9.955) 15.759 18.538 ( -1.249 -2.727 -0.141) 3.003 18.711 ( 1.824 1.686 -0.602) 2.556 19.025 ( -3.882 0.855 -2.244) 4.564 19.171 ( 2.145 1.266 -1.150) 2.744 ======================= Grid point 285 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 7.172 10.739 -1.594) 13.012 1.244 ( 2.423 4.718 3.307) 6.250 1.572 ( 0.248 0.270 -1.506) 1.550 1.664 ( 2.030 -0.936 -1.098) 2.491 1.856 ( 0.859 5.105 3.421) 6.205 2.000 ( -2.627 3.161 -3.020) 5.100 2.260 ( -4.182 4.708 3.587) 7.247 2.636 ( 5.506 -0.086 1.363) 5.673 3.935 ( -10.792 -6.287 0.578) 12.503 4.377 ( 34.031 22.361 0.594) 40.724 5.534 ( 1.923 -2.927 -0.590) 3.551 5.822 ( 5.503 6.182 0.375) 8.285 7.110 ( -9.070 -9.696 -0.705) 13.295 7.332 ( 0.914 6.133 -0.699) 6.240 7.553 ( -13.491 -24.591 0.092) 28.048 8.250 ( -21.947 8.050 1.123) 23.403 9.217 ( 16.458 -13.949 -0.364) 21.577 9.975 ( 2.916 14.888 -0.842) 15.195 14.573 ( 2.264 -7.144 0.031) 7.494 15.081 ( 0.811 11.348 1.513) 11.477 15.303 ( 2.092 9.640 -1.292) 9.949 15.393 ( 5.772 5.070 -2.064) 7.955 15.864 ( 4.302 -0.450 1.049) 4.451 16.642 ( -10.450 -15.201 12.647) 22.365 17.213 ( -6.006 -6.544 0.592) 8.903 17.651 ( 7.943 8.368 -9.447) 14.912 18.490 ( -0.985 -2.805 -0.533) 3.020 18.756 ( 1.910 1.121 0.133) 2.219 18.952 ( -3.937 0.855 -2.965) 5.002 19.209 ( 1.862 0.817 -2.054) 2.890 ======================= Grid point 286 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 5.909 8.747 0.009) 10.556 1.297 ( 0.189 0.376 2.720) 2.753 1.558 ( -0.980 -0.669 -1.474) 1.893 1.667 ( 1.169 -1.955 -1.668) 2.824 1.922 ( -0.373 5.336 1.136) 5.468 1.987 ( -3.234 6.374 -1.940) 7.406 2.175 ( -9.580 1.591 2.382) 9.999 2.869 ( 14.096 8.992 0.613) 16.731 3.648 ( -15.254 -7.307 0.637) 16.926 5.146 ( 32.903 15.225 0.656) 36.261 5.538 ( 2.678 -3.743 -0.891) 4.688 5.963 ( 2.932 4.368 0.426) 5.278 6.847 ( -10.081 -9.718 -1.619) 14.096 7.046 ( -13.633 -21.972 0.448) 25.862 7.467 ( 2.008 11.761 0.202) 11.933 7.990 ( -16.391 4.718 1.345) 17.110 9.329 ( 13.666 -15.594 0.170) 20.735 10.121 ( -1.292 12.458 0.037) 12.525 14.551 ( 4.347 -8.763 0.028) 9.782 15.183 ( -3.157 11.060 0.233) 11.504 15.409 ( 0.634 9.866 0.530) 9.901 15.508 ( 5.171 1.629 -1.525) 5.632 15.856 ( -5.932 -5.349 2.589) 8.397 16.461 ( 0.619 -5.226 3.600) 6.376 17.038 ( -5.994 -7.740 1.176) 9.860 17.847 ( 6.362 7.868 -2.277) 10.371 18.449 ( 0.087 -2.599 -1.845) 3.188 18.785 ( -0.193 0.116 1.053) 1.077 18.905 ( -0.881 1.587 -2.291) 2.923 19.234 ( 1.762 0.119 -2.408) 2.986 ======================= Grid point 287 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 1.688 5.451 2.699) 6.313 1.302 ( 0.093 -1.116 2.344) 2.598 1.521 ( -0.625 -1.718 -2.469) 3.072 1.661 ( 0.750 -0.743 -2.381) 2.605 1.922 ( -5.513 -0.838 -0.143) 5.578 1.995 ( -7.105 13.389 0.177) 15.158 2.056 ( -3.356 2.317 0.184) 4.082 3.235 ( 14.691 8.953 0.811) 17.223 3.297 ( -15.610 -5.993 0.390) 16.726 5.533 ( 1.693 -4.752 -0.862) 5.118 5.642 ( 3.326 -4.366 -0.109) 5.490 5.932 ( -1.863 0.990 -0.803) 2.258 6.679 ( 6.606 -3.945 1.214) 7.790 6.781 ( -0.354 -7.344 -0.513) 7.371 7.596 ( -4.967 12.016 0.817) 13.027 7.844 ( -3.833 6.317 0.693) 7.422 9.371 ( 10.248 -17.665 0.421) 20.427 10.175 ( -5.408 9.940 0.373) 11.321 14.549 ( 5.724 -9.131 -0.024) 10.777 15.188 ( -7.266 8.730 -0.067) 11.358 15.512 ( -2.611 7.315 2.423) 8.136 15.580 ( 3.032 -3.020 0.081) 4.281 15.678 ( -4.643 -0.305 -0.479) 4.678 16.481 ( -0.370 -2.480 0.163) 2.513 16.931 ( 2.156 -4.294 1.772) 5.121 17.964 ( 0.690 4.187 0.156) 4.247 18.437 ( 2.403 -1.505 -3.396) 4.425 18.764 ( -1.830 -0.274 1.008) 2.107 18.932 ( 1.622 2.253 -0.172) 2.781 19.252 ( 1.697 -0.518 -2.306) 2.910 ======================= Grid point 288 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -6.083 -1.206 3.565) 7.153 1.309 ( -1.010 1.684 1.550) 2.502 1.494 ( 1.285 -1.986 -3.011) 3.829 1.656 ( -0.246 0.662 -3.057) 3.137 1.757 ( -9.253 -0.883 2.574) 9.645 2.029 ( -6.457 16.000 -0.216) 17.255 2.078 ( 1.972 0.518 0.271) 2.057 2.930 ( -15.077 -8.696 0.087) 17.406 3.619 ( 15.281 9.509 0.898) 18.020 5.120 ( -30.738 -19.608 -0.907) 36.471 5.533 ( 0.997 -3.643 -1.078) 3.928 5.958 ( -4.354 -0.618 0.128) 4.399 6.852 ( 10.218 1.286 -0.103) 10.299 7.015 ( 27.739 1.954 1.704) 27.859 7.519 ( -9.097 3.528 0.070) 9.757 8.004 ( 4.300 17.685 0.291) 18.202 9.334 ( 6.820 -19.756 0.309) 20.902 10.137 ( -9.137 7.333 0.294) 11.719 14.565 ( 6.104 -8.269 -0.107) 10.279 15.119 ( -8.448 4.019 2.571) 9.702 15.424 ( -9.390 3.314 2.150) 10.187 15.572 ( -1.844 1.477 -4.707) 5.267 15.750 ( 4.855 2.252 1.327) 5.514 16.378 ( -3.646 -6.372 1.985) 7.605 17.038 ( 9.129 0.855 0.991) 9.222 17.968 ( -2.163 1.265 -1.893) 3.141 18.467 ( 3.488 -0.284 -3.722) 5.108 18.741 ( -1.251 -0.210 1.849) 2.243 18.985 ( 1.236 3.042 0.376) 3.305 19.256 ( 0.657 -1.254 -2.071) 2.509 ======================= Grid point 293 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.909 4.840 5.085) 7.079 0.986 ( -5.728 17.528 5.848) 19.345 1.319 ( -14.367 17.650 1.595) 22.814 1.450 ( -1.557 -2.426 -4.719) 5.530 1.619 ( -0.130 2.449 -0.419) 2.488 2.122 ( 3.985 -8.223 1.683) 9.292 2.237 ( 0.234 -0.118 2.404) 2.418 2.805 ( -4.116 6.731 6.411) 10.166 2.983 ( -6.371 11.256 -1.562) 13.028 4.240 ( 2.799 -3.773 -0.060) 4.698 5.555 ( -1.444 3.353 -0.644) 3.707 5.574 ( -1.778 0.689 0.663) 2.019 7.279 ( 1.868 -2.450 -1.837) 3.587 7.539 ( 3.564 -6.309 0.600) 7.271 8.269 ( 8.300 -13.076 0.530) 15.497 8.797 ( 0.167 0.954 -2.780) 2.944 8.903 ( 0.638 -2.147 -0.048) 2.241 9.413 ( -10.722 18.682 -4.578) 22.022 14.628 ( 0.459 1.875 2.193) 2.922 14.711 ( 1.385 0.091 0.007) 1.388 14.956 ( -6.515 9.078 0.309) 11.178 15.141 ( -7.995 11.360 -7.088) 15.595 15.853 ( 0.795 -2.242 -0.109) 2.381 16.493 ( -12.709 22.548 -2.811) 26.035 17.446 ( 1.870 -3.193 0.149) 3.703 18.161 ( 11.908 -21.019 -3.900) 24.471 18.659 ( 0.393 -0.615 -0.635) 0.967 18.687 ( -0.873 3.096 -1.379) 3.500 18.908 ( 4.295 -8.105 5.600) 10.747 19.101 ( -1.406 1.463 -0.163) 2.036 ======================= Grid point 294 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.131 5.393 2.458) 5.928 1.006 ( -8.157 16.236 5.428) 18.964 1.431 ( 2.063 14.289 1.163) 14.484 1.451 ( 4.373 -0.403 -4.268) 6.124 1.660 ( 1.639 4.340 -0.009) 4.640 2.082 ( 1.092 -8.815 1.932) 9.090 2.227 ( -1.069 -1.011 1.969) 2.458 2.798 ( -2.574 -5.475 6.724) 9.045 3.132 ( 1.187 32.134 -2.440) 32.248 4.222 ( 0.252 -5.321 -0.134) 5.329 5.550 ( -1.622 0.227 0.897) 1.867 5.585 ( 0.674 4.833 -0.408) 4.897 7.277 ( 1.259 -1.431 -1.738) 2.580 7.486 ( -0.918 -9.204 0.267) 9.253 8.328 ( 0.862 -7.557 0.152) 7.608 8.453 ( -0.406 -19.116 -0.498) 19.126 9.204 ( 0.022 8.922 -0.110) 8.923 9.409 ( 0.357 19.344 -4.954) 19.971 14.715 ( 0.018 -1.091 -0.295) 1.130 14.777 ( 7.470 6.399 2.035) 10.044 14.971 ( -1.063 9.283 0.088) 9.344 15.098 ( -5.717 11.515 -5.565) 14.009 15.841 ( -0.305 -1.161 0.159) 1.211 16.606 ( -1.413 23.649 0.522) 23.697 17.424 ( -0.082 -4.459 0.177) 4.463 17.961 ( -3.417 -26.958 -3.287) 27.372 18.598 ( -2.681 -2.859 0.215) 3.925 18.695 ( -0.842 2.931 -0.656) 3.119 18.994 ( 7.213 -4.436 0.821) 8.508 19.112 ( 0.298 2.374 -0.396) 2.425 ======================= Grid point 295 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 1.901 9.866 -1.046) 10.101 1.142 ( 1.723 13.927 5.271) 14.991 1.505 ( 3.853 -0.050 -4.224) 5.717 1.567 ( 3.066 3.368 0.463) 4.578 1.765 ( 4.010 5.346 1.899) 6.948 2.028 ( 0.601 -4.950 -0.180) 4.989 2.239 ( 2.313 1.693 2.584) 3.859 2.690 ( -4.750 -6.635 4.665) 9.400 3.582 ( 10.442 37.501 -0.781) 38.936 4.143 ( -2.149 -7.084 -0.134) 7.404 5.528 ( -1.313 -0.714 0.745) 1.670 5.672 ( 2.899 6.458 0.032) 7.079 7.290 ( 1.057 1.702 -2.080) 2.888 7.342 ( -3.581 -11.234 0.483) 11.801 7.983 ( -14.343 -18.101 0.485) 23.100 8.563 ( 19.494 -15.263 -0.944) 24.776 9.053 ( -20.477 9.694 -0.067) 22.656 9.730 ( 11.489 15.487 -2.576) 19.455 14.632 ( -5.508 -2.492 -0.116) 6.047 14.995 ( 7.231 7.044 -0.476) 10.106 15.107 ( 4.841 9.157 -1.297) 10.439 15.176 ( 4.669 11.544 -0.510) 12.463 15.817 ( -1.706 -0.262 0.028) 1.726 16.820 ( 0.617 8.421 11.030) 13.891 17.356 ( -2.031 -5.790 0.186) 6.139 17.612 ( -5.682 -14.391 -9.155) 17.978 18.536 ( -1.641 -3.010 0.562) 3.474 18.715 ( 0.111 2.817 -0.402) 2.848 19.026 ( 1.729 -3.111 -3.294) 4.850 19.145 ( 1.253 1.660 -0.622) 2.171 ======================= Grid point 296 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.731 12.560 -2.287) 13.615 1.289 ( 0.608 6.112 3.146) 6.901 1.543 ( 2.377 0.072 -2.484) 3.439 1.616 ( 1.519 -1.174 -0.072) 1.921 1.881 ( 2.398 2.230 4.442) 5.519 2.024 ( 1.691 2.562 -3.559) 4.700 2.386 ( 6.127 10.151 2.577) 12.133 2.576 ( -3.346 -3.726 2.793) 5.734 4.001 ( -3.866 -8.011 -0.221) 8.898 4.177 ( 17.357 30.507 0.764) 35.107 5.496 ( -0.935 -2.024 0.343) 2.256 5.803 ( 4.441 7.247 0.019) 8.500 7.133 ( -6.412 -11.343 -0.716) 13.050 7.368 ( 3.227 6.230 -0.562) 7.038 7.537 ( -14.330 -23.692 0.152) 27.689 8.685 ( -2.112 -4.891 -0.276) 5.334 8.810 ( -2.932 -2.717 0.192) 4.002 10.025 ( 7.422 13.152 -1.068) 15.140 14.516 ( -3.285 -5.000 -0.060) 5.982 15.140 ( 3.071 8.043 -1.494) 8.738 15.292 ( 6.472 8.630 -0.796) 10.817 15.415 ( 6.735 11.467 0.888) 13.328 15.795 ( 0.680 -0.566 -0.153) 0.898 16.726 ( -10.819 -17.013 14.128) 24.619 17.238 ( -4.779 -7.339 0.567) 8.776 17.580 ( 6.869 11.416 -9.880) 16.587 18.482 ( -1.474 -3.331 0.739) 3.716 18.749 ( 0.906 2.362 0.094) 2.532 18.983 ( -1.380 -1.670 -4.731) 5.204 19.174 ( 1.438 0.230 -1.353) 1.988 ======================= Grid point 297 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 5.397 11.502 -0.867) 12.735 1.319 ( -1.093 0.232 1.719) 2.050 1.556 ( -0.178 -0.682 -1.815) 1.947 1.611 ( 1.467 -3.056 -0.470) 3.423 1.928 ( 1.165 0.986 0.610) 1.644 2.075 ( -0.212 3.843 -0.583) 3.893 2.462 ( -10.548 13.065 1.588) 16.866 2.717 ( 14.672 7.552 1.633) 16.582 3.799 ( -9.895 -8.170 0.104) 12.832 4.802 ( 25.025 20.258 0.983) 32.212 5.467 ( 0.539 -3.116 -0.067) 3.163 5.950 ( 4.326 6.071 0.003) 7.454 6.901 ( -7.966 -10.444 -0.982) 13.172 7.043 ( -14.318 -25.091 0.042) 28.889 7.527 ( 5.037 12.095 -0.215) 13.103 8.405 ( -23.143 6.295 1.083) 24.008 8.898 ( 16.444 -17.536 -0.186) 24.041 10.228 ( 2.830 10.983 -0.210) 11.344 14.430 ( 0.033 -6.778 -0.025) 6.778 15.262 ( 3.273 6.775 -1.671) 7.707 15.458 ( 4.188 5.570 -1.215) 7.074 15.553 ( -3.270 10.710 1.582) 11.309 15.848 ( 4.078 -1.366 0.456) 4.325 16.447 ( -6.121 -10.823 7.123) 14.330 17.062 ( -6.353 -9.278 0.731) 11.269 17.817 ( 7.617 12.357 -2.820) 14.787 18.424 ( -1.378 -3.835 0.099) 4.077 18.786 ( 0.805 1.050 0.580) 1.445 18.929 ( -1.397 0.555 -3.751) 4.042 19.187 ( 1.596 -1.218 -2.030) 2.855 ======================= Grid point 298 (159/226) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 3.332 8.900 1.686) 9.652 1.295 ( -0.556 -2.355 1.552) 2.875 1.507 ( -1.590 -2.871 -2.455) 4.099 1.618 ( 1.897 -1.312 -1.309) 2.652 1.959 ( 0.775 1.530 -1.555) 2.315 2.061 ( -2.908 -0.566 1.399) 3.276 2.427 ( -13.232 20.153 0.548) 24.115 3.072 ( 15.370 9.298 1.246) 18.007 3.510 ( -14.974 -6.744 -0.051) 16.422 5.386 ( 23.212 8.984 0.656) 24.898 5.453 ( 1.710 -3.886 -0.234) 4.252 5.992 ( -4.511 -3.037 -0.850) 5.504 6.610 ( -5.951 -11.827 0.529) 13.250 6.721 ( -3.416 -10.228 -0.528) 10.797 7.765 ( 4.765 17.998 0.072) 18.618 8.091 ( -19.303 4.039 1.010) 19.747 8.974 ( 13.946 -20.138 0.179) 24.496 10.333 ( -1.771 8.535 0.196) 8.719 14.387 ( 2.989 -7.149 -0.111) 7.750 15.339 ( -1.248 3.702 -1.649) 4.241 15.494 ( 1.321 -2.359 1.769) 3.231 15.634 ( -0.893 11.328 -0.253) 11.366 15.807 ( -6.917 0.426 1.352) 7.060 16.433 ( 4.194 0.252 1.183) 4.365 16.874 ( -3.365 -9.953 1.349) 10.592 18.007 ( 2.243 8.748 0.293) 9.036 18.371 ( 0.649 -3.835 -1.729) 4.256 18.787 ( -0.822 -0.624 0.070) 1.034 18.936 ( 0.913 3.153 -0.610) 3.338 19.192 ( 2.234 -2.210 -2.297) 3.893 ======================= Grid point 299 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.839 0.384 3.606) 5.281 1.313 ( 2.479 2.091 -0.075) 3.244 1.451 ( 0.148 -2.368 -1.845) 3.006 1.630 ( 1.321 -0.421 -2.248) 2.641 1.912 ( -7.171 -0.062 1.314) 7.291 2.049 ( 1.869 0.205 0.409) 1.924 2.408 ( -13.390 21.804 -0.121) 25.588 3.112 ( -15.530 -9.930 -0.362) 18.437 3.468 ( 13.090 9.487 1.220) 16.212 5.371 ( -16.601 -12.574 -0.631) 20.835 5.475 ( -1.428 -5.106 -1.160) 5.427 5.967 ( 5.238 1.631 0.040) 5.486 6.634 ( 14.512 -2.501 1.473) 14.799 6.696 ( 8.271 -1.079 0.126) 8.342 7.780 ( -16.487 4.596 0.583) 17.126 8.098 ( 6.606 19.395 -0.358) 20.492 8.974 ( 10.493 -22.378 0.281) 24.717 10.337 ( -6.122 5.708 0.281) 8.375 14.391 ( 5.123 -6.031 -0.246) 7.917 15.272 ( -6.011 -1.720 3.585) 7.207 15.533 ( 2.644 -0.455 0.926) 2.838 15.669 ( -7.108 5.996 -1.455) 9.413 15.751 ( -1.634 7.728 -1.324) 8.009 16.402 ( -5.876 -5.338 0.474) 7.953 16.871 ( 9.648 -2.837 1.133) 10.120 18.044 ( -4.444 3.311 -0.255) 5.548 18.380 ( 4.244 -0.985 -2.899) 5.233 18.766 ( -1.036 -0.498 1.065) 1.567 18.994 ( 1.619 3.605 0.238) 3.959 19.201 ( 2.408 -2.463 -2.043) 4.005 ======================= Grid point 304 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -3.838 9.917 0.319) 10.639 1.226 ( -1.322 12.678 5.226) 13.776 1.470 ( -5.850 -1.415 -5.013) 7.833 1.560 ( -2.343 1.819 0.194) 2.973 1.734 ( -6.598 6.639 2.830) 9.778 2.001 ( 2.868 -4.046 0.503) 4.985 2.263 ( -0.052 4.194 2.411) 4.838 2.714 ( 4.931 -5.626 3.633) 8.316 3.596 ( -28.777 28.808 -0.623) 40.724 4.118 ( 6.167 -5.726 0.316) 8.421 5.573 ( -0.196 -0.503 -0.567) 0.783 5.662 ( -4.642 4.507 0.473) 6.487 7.211 ( 2.431 -4.345 0.160) 4.982 7.408 ( 5.213 -2.937 -1.402) 6.146 7.956 ( 9.034 -21.751 1.065) 23.577 8.559 ( 23.426 9.527 -0.899) 25.305 9.064 ( -18.718 -12.336 -0.343) 22.420 9.724 ( -6.999 16.943 -2.401) 18.488 14.623 ( -0.669 -5.405 0.417) 5.462 14.762 ( -3.634 5.297 3.436) 7.285 15.176 ( -6.154 11.445 0.284) 12.998 15.316 ( -5.081 7.922 -5.658) 10.981 15.821 ( -0.389 -1.954 -0.043) 1.993 16.866 ( -5.908 10.240 9.395) 15.101 17.358 ( 4.206 -4.559 0.195) 6.206 17.723 ( 11.206 -11.055 -13.420) 20.685 18.607 ( 3.722 0.095 -0.809) 3.811 18.742 ( -1.885 3.434 -1.500) 4.195 18.837 ( -1.055 -7.109 3.203) 7.868 19.141 ( -1.991 0.642 -0.766) 2.228 ======================= Grid point 305 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -2.023 10.074 -1.059) 10.330 1.311 ( -6.517 10.717 4.606) 13.362 1.385 ( -0.053 0.402 -4.461) 4.479 1.547 ( -2.187 4.014 1.185) 4.722 1.719 ( -3.243 5.946 2.663) 7.278 1.992 ( 1.151 -5.268 0.866) 5.461 2.270 ( -3.494 2.018 1.635) 4.353 2.733 ( 2.918 -7.048 2.862) 8.148 3.589 ( -11.047 39.187 -0.280) 40.715 4.132 ( 2.794 -7.512 0.182) 8.017 5.562 ( 0.185 -1.137 -0.433) 1.230 5.656 ( -2.476 6.419 0.522) 6.900 7.215 ( 2.884 -4.267 0.163) 5.153 7.407 ( 0.155 -5.479 -1.408) 5.660 7.963 ( 14.573 -18.816 0.581) 23.807 8.575 ( -19.593 -14.515 -0.249) 24.386 9.054 ( 20.616 10.228 -0.973) 23.034 9.718 ( -11.165 15.167 -1.982) 18.937 14.628 ( 5.306 -2.127 0.021) 5.716 14.814 ( 0.181 7.326 4.671) 8.690 15.159 ( -8.583 10.373 0.074) 13.464 15.271 ( -6.073 7.767 -5.635) 11.356 15.822 ( 1.827 -0.188 0.222) 1.850 16.910 ( -6.485 14.593 8.027) 17.873 17.361 ( 1.842 -5.621 0.149) 5.917 17.661 ( 5.169 -18.894 -12.748) 23.371 18.606 ( -1.499 -3.511 -0.936) 3.931 18.742 ( -1.279 3.752 -1.789) 4.349 18.843 ( 5.584 -3.696 4.030) 7.815 19.132 ( -0.245 1.669 -0.521) 1.765 ======================= Grid point 306 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.279 11.592 -3.461) 12.101 1.311 ( -4.693 10.176 4.418) 12.045 1.418 ( 3.732 0.324 -3.448) 5.091 1.571 ( 0.293 1.678 1.597) 2.334 1.763 ( 1.522 3.515 2.479) 4.562 1.961 ( 1.122 -4.640 0.972) 4.872 2.239 ( -1.049 0.246 1.793) 2.092 2.703 ( -0.986 -3.403 1.564) 3.873 3.915 ( -1.065 42.028 0.142) 42.042 4.072 ( 0.725 -8.823 0.040) 8.853 5.552 ( -0.829 -0.173 0.402) 0.937 5.711 ( 0.498 7.719 0.284) 7.740 7.222 ( 3.482 -7.851 0.780) 8.624 7.314 ( -3.125 -2.851 -2.382) 4.854 8.001 ( 2.687 -26.193 0.227) 26.331 8.165 ( -2.518 -9.071 -0.144) 9.415 9.378 ( -0.240 8.622 -0.100) 8.626 9.705 ( 0.557 13.734 -1.976) 13.887 14.691 ( 0.100 -0.861 -0.536) 1.019 14.935 ( 4.392 6.698 2.625) 8.428 15.145 ( -0.664 8.112 1.164) 8.222 15.256 ( -2.373 8.667 -4.317) 9.969 15.855 ( -0.393 2.498 0.737) 2.634 16.959 ( -4.062 -2.638 13.703) 14.534 17.318 ( -0.129 -4.903 -0.245) 4.911 17.497 ( 0.233 -4.793 -14.242) 15.029 18.537 ( -1.809 -3.594 0.422) 4.046 18.752 ( -0.948 3.365 -0.470) 3.527 18.913 ( 4.993 -3.711 -1.002) 6.301 19.150 ( 0.347 1.763 -0.735) 1.941 ======================= Grid point 307 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.141 12.798 -3.987) 13.768 1.364 ( -1.773 4.205 3.635) 5.834 1.484 ( 4.151 1.896 -2.851) 5.381 1.588 ( 0.614 -1.374 0.858) 1.733 1.863 ( 4.411 2.358 4.255) 6.567 1.968 ( 3.985 -0.665 -1.823) 4.433 2.284 ( 6.481 -1.739 3.080) 7.384 2.674 ( -2.866 5.154 0.459) 5.915 3.936 ( -0.932 -11.961 -0.451) 12.006 4.372 ( 2.957 39.470 0.981) 39.593 5.525 ( -2.645 -0.074 0.889) 2.791 5.818 ( 2.595 8.057 -0.063) 8.465 7.098 ( -3.535 -13.349 -0.111) 13.809 7.341 ( 3.990 4.303 -1.605) 6.084 7.572 ( -14.626 -23.211 0.434) 27.439 8.259 ( 17.171 -14.610 -0.652) 22.555 9.233 ( -20.543 8.095 0.390) 22.084 9.970 ( 11.604 10.466 -1.170) 15.670 14.584 ( -8.106 -2.102 -0.290) 8.380 15.120 ( 7.639 6.238 -1.717) 10.011 15.292 ( 3.833 8.915 1.395) 9.804 15.344 ( 7.646 6.240 -0.989) 9.918 15.852 ( -3.470 3.109 0.700) 4.712 16.766 ( -8.230 -20.042 10.404) 24.034 17.237 ( -3.119 -7.440 0.675) 8.095 17.567 ( 5.248 15.644 -8.075) 18.371 18.479 ( -1.479 -3.538 1.295) 4.048 18.772 ( -0.366 2.754 0.492) 2.821 18.926 ( 2.245 -2.991 -4.412) 5.784 19.163 ( 0.046 0.740 -0.910) 1.174 ======================= Grid point 308 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.978 11.577 -2.544) 12.856 1.353 ( -2.405 -0.069 0.617) 2.484 1.536 ( 1.213 0.371 -0.757) 1.478 1.568 ( -0.074 -3.343 0.533) 3.386 1.924 ( 0.745 0.769 0.961) 1.439 2.075 ( 3.806 2.571 -0.078) 4.594 2.467 ( 15.902 -2.060 2.307) 16.200 2.743 ( -1.501 16.557 0.523) 16.633 3.790 ( -1.688 -12.956 -0.346) 13.070 4.796 ( 5.801 31.005 1.100) 31.562 5.473 ( -3.104 -0.755 0.793) 3.292 5.943 ( 3.437 6.209 -0.245) 7.101 6.893 ( -5.009 -12.774 -0.223) 13.722 7.060 ( -15.400 -23.276 -0.505) 27.914 7.531 ( 7.402 10.663 -0.576) 12.993 8.395 ( 16.783 -16.943 -0.429) 23.852 8.920 ( -23.873 6.054 0.710) 24.639 10.228 ( 8.066 8.107 -0.510) 11.447 14.430 ( -5.980 -3.550 -0.078) 6.955 15.251 ( 2.924 5.875 -4.570) 7.997 15.440 ( 4.763 3.968 0.792) 6.250 15.589 ( 11.091 6.110 1.013) 12.703 15.816 ( -3.017 1.750 1.019) 3.634 16.493 ( -7.624 -11.390 6.552) 15.192 17.081 ( -5.955 -8.847 0.416) 10.672 17.810 ( 7.168 14.168 -2.337) 16.049 18.421 ( -2.065 -3.818 1.749) 4.680 18.789 ( -0.061 0.544 0.172) 0.574 18.917 ( 1.185 0.310 -4.125) 4.303 19.156 ( -0.248 -0.958 -1.185) 1.543 ======================= Grid point 309 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 5.193 8.843 -0.909) 10.295 1.302 ( -2.550 -1.928 1.190) 3.411 1.497 ( -1.875 -3.534 -1.727) 4.357 1.574 ( 1.623 -0.427 0.383) 1.721 1.948 ( 1.193 1.340 -1.081) 2.094 2.095 ( -1.298 -1.349 0.935) 2.093 2.726 ( 5.391 10.974 0.666) 12.245 2.937 ( 6.714 12.217 1.177) 13.990 3.613 ( -5.613 -10.517 -0.460) 11.930 5.201 ( 12.310 19.845 0.988) 23.374 5.423 ( -1.571 -1.463 0.458) 2.195 6.004 ( -1.078 -3.161 -0.565) 3.387 6.616 ( -9.442 -15.017 -0.107) 17.739 6.700 ( -5.722 -9.129 -0.410) 10.782 7.807 ( 9.326 16.379 -0.561) 18.856 8.449 ( -0.800 -9.297 0.740) 9.361 8.599 ( -8.418 -6.111 0.160) 10.403 10.392 ( 3.278 5.667 -0.109) 6.548 14.323 ( -2.087 -3.816 -0.032) 4.349 15.312 ( 2.669 0.793 -5.162) 5.865 15.487 ( -0.584 -1.640 1.321) 2.185 15.762 ( -0.074 7.689 3.144) 8.307 15.847 ( 3.542 1.302 -0.335) 3.789 16.402 ( 0.807 1.813 2.893) 3.508 16.871 ( -7.628 -10.317 0.475) 12.839 18.041 ( 5.765 10.891 -0.342) 12.328 18.343 ( -2.884 -4.698 1.106) 5.623 18.780 ( 0.089 -1.361 -1.147) 1.782 18.951 ( 1.367 3.735 -0.661) 4.032 19.132 ( 0.473 -2.648 -1.562) 3.111 ======================= Grid point 310 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.858 -3.927 1.236) 4.205 1.305 ( 1.796 6.837 0.489) 7.085 1.425 ( -0.780 -2.736 -1.207) 3.091 1.598 ( 1.240 0.173 -0.864) 1.521 1.981 ( 0.831 2.009 -1.487) 2.634 2.042 ( -2.497 -2.387 1.829) 3.909 2.821 ( -10.516 17.591 0.008) 20.494 3.132 ( 4.801 -6.297 0.202) 7.921 3.439 ( -2.613 0.157 0.400) 2.648 5.398 ( 0.151 -1.182 0.112) 1.197 5.532 ( -0.796 6.091 -0.555) 6.168 5.832 ( 2.748 -9.292 0.031) 9.690 6.511 ( 0.412 -0.663 0.716) 1.059 6.573 ( 2.626 -4.396 -0.326) 5.131 8.147 ( 8.467 17.117 -0.829) 19.114 8.154 ( -20.830 4.552 0.952) 21.343 8.563 ( 12.113 -21.068 0.166) 24.302 10.447 ( -1.663 2.799 0.090) 3.257 14.288 ( 1.666 -2.577 -0.111) 3.071 15.304 ( 0.288 -4.514 0.668) 4.572 15.475 ( 1.061 -0.262 -0.391) 1.160 15.809 ( -3.546 5.167 0.561) 6.292 15.874 ( -2.364 4.073 -0.238) 4.715 16.490 ( -3.710 4.891 -0.186) 6.142 16.686 ( 3.733 -9.399 1.132) 10.176 18.170 ( -4.535 5.703 1.142) 7.375 18.281 ( 4.208 -2.510 -1.729) 5.196 18.767 ( 0.273 -1.140 -0.035) 1.173 19.011 ( 0.591 3.847 0.331) 3.907 19.121 ( 2.714 -2.722 -1.445) 4.107 ======================= Grid point 315 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -6.744 10.501 -0.991) 12.519 1.320 ( 0.701 3.587 3.248) 4.890 1.543 ( -3.338 0.440 -2.749) 4.346 1.592 ( -1.701 0.061 -0.109) 1.706 1.859 ( -1.779 1.592 4.192) 4.824 1.967 ( 1.135 4.044 -1.429) 4.437 2.307 ( 4.974 6.492 2.243) 8.480 2.672 ( -4.192 1.267 0.454) 4.403 3.913 ( 10.342 -7.273 0.561) 12.656 4.399 ( -33.613 23.588 -0.107) 41.063 5.567 ( -1.209 -2.035 -0.862) 2.519 5.806 ( -5.694 5.683 0.415) 8.056 7.073 ( 6.425 -9.249 1.097) 11.315 7.341 ( 2.983 2.567 -1.735) 4.301 7.551 ( 11.306 -22.825 1.262) 25.503 8.250 ( 22.148 8.112 -0.321) 23.589 9.241 ( -16.642 -13.326 0.068) 21.320 9.959 ( -2.954 14.859 -0.695) 15.166 14.579 ( -2.093 -7.628 -0.125) 7.911 14.923 ( -6.184 5.678 4.801) 9.671 15.327 ( 2.631 10.200 0.188) 10.536 15.447 ( -5.421 6.428 -4.354) 9.469 15.857 ( -5.051 -0.380 0.313) 5.075 16.805 ( 15.171 -8.895 10.073) 20.267 17.220 ( 5.822 -6.018 0.594) 8.395 17.650 ( -8.022 8.284 -11.723) 16.444 18.544 ( 2.923 -0.449 -1.428) 3.284 18.781 ( 0.229 -1.448 2.772) 3.136 18.826 ( -2.970 -0.175 -2.418) 3.833 19.171 ( -2.137 -0.659 -1.391) 2.634 ======================= Grid point 316 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -4.359 12.475 -2.173) 13.392 1.350 ( 0.536 -0.607 1.385) 1.605 1.500 ( -3.090 4.344 -1.247) 5.474 1.586 ( -0.306 0.491 0.769) 0.963 1.843 ( -2.762 -0.190 5.626) 6.270 1.993 ( -2.851 4.357 -1.723) 5.485 2.425 ( -6.645 10.262 1.010) 12.267 2.629 ( 2.911 -3.437 0.385) 4.521 3.982 ( 5.807 -8.161 0.614) 10.035 4.203 ( -18.843 31.780 -0.177) 36.947 5.530 ( 0.573 -2.497 -1.007) 2.753 5.786 ( -4.296 7.261 0.619) 8.459 7.081 ( 4.987 -9.714 1.404) 11.009 7.401 ( -0.859 4.180 -1.816) 4.638 7.515 ( 13.315 -24.247 1.058) 27.683 8.698 ( 7.023 -1.510 -0.863) 7.236 8.820 ( -2.138 -5.408 -0.175) 5.818 10.012 ( -7.358 13.293 -0.519) 15.202 14.518 ( 3.081 -5.099 -0.088) 5.958 14.935 ( -2.643 7.649 6.576) 10.428 15.402 ( -4.929 6.646 -5.023) 9.680 15.427 ( -7.383 11.298 0.584) 13.509 15.792 ( 0.610 -0.122 -0.001) 0.622 16.940 ( 9.453 -15.981 8.837) 20.563 17.244 ( 4.679 -7.137 -0.060) 8.534 17.558 ( -7.584 11.913 -13.393) 19.463 18.563 ( 1.513 -3.315 -2.296) 4.307 18.771 ( 0.985 -2.338 2.846) 3.813 18.803 ( -1.596 3.339 -0.039) 3.701 19.144 ( -0.281 0.133 -0.352) 0.470 ======================= Grid point 317 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -3.250 12.603 -4.130) 13.655 1.368 ( 1.697 0.640 -1.324) 2.245 1.485 ( -3.755 3.840 1.434) 5.558 1.590 ( -0.419 -0.120 2.285) 2.326 1.824 ( -2.750 1.526 5.501) 6.337 1.944 ( -3.878 0.158 -1.184) 4.057 2.311 ( -7.631 -1.258 1.009) 7.799 2.695 ( 1.793 4.566 -0.864) 4.981 3.939 ( 1.284 -12.521 0.395) 12.593 4.388 ( -3.965 40.836 0.332) 41.030 5.536 ( 2.061 -0.669 -0.583) 2.244 5.809 ( -2.252 8.231 0.740) 8.566 7.061 ( 4.179 -11.667 1.059) 12.438 7.364 ( -3.841 1.446 -1.705) 4.444 7.547 ( 14.646 -22.448 0.304) 26.805 8.285 ( -17.564 -14.486 -0.276) 22.769 9.230 ( 20.827 8.072 -0.891) 22.354 9.964 ( -11.393 10.637 -0.376) 15.592 14.584 ( 8.019 -1.931 -0.299) 8.254 15.021 ( -1.422 8.308 5.436) 10.030 15.315 ( -10.346 4.704 1.095) 11.418 15.371 ( -4.431 7.255 -4.893) 9.809 15.869 ( 2.944 3.997 0.875) 5.041 16.879 ( 2.823 -22.635 5.012) 23.355 17.239 ( 3.120 -7.656 -0.289) 8.273 17.544 ( -4.756 17.326 -8.757) 19.987 18.519 ( -0.506 -4.416 -0.978) 4.551 18.801 ( 0.487 3.497 -2.871) 4.551 18.815 ( 1.401 -1.920 4.103) 4.742 19.154 ( 0.616 0.872 0.006) 1.068 ======================= Grid point 318 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.153 12.108 -4.724) 12.997 1.400 ( 1.866 0.355 -2.502) 3.141 1.480 ( -1.324 4.035 2.718) 5.042 1.581 ( -1.017 -1.618 2.872) 3.450 1.833 ( 1.140 1.639 1.978) 2.810 1.908 ( 0.962 -1.686 1.375) 2.379 2.214 ( -0.704 -5.162 1.378) 5.389 2.770 ( -0.337 10.568 -1.310) 10.655 3.805 ( -0.235 -15.643 -0.103) 15.645 4.773 ( -0.683 41.379 0.987) 41.397 5.560 ( 0.035 0.653 0.456) 0.797 5.874 ( 0.090 7.813 0.230) 7.817 6.986 ( 0.869 -13.637 0.347) 13.669 7.345 ( -0.057 5.001 -1.587) 5.247 7.457 ( 0.812 -28.287 0.097) 28.298 7.979 ( -1.263 -9.382 -0.480) 9.479 9.525 ( 0.428 6.189 -0.335) 6.213 9.910 ( -0.076 8.191 -0.569) 8.211 14.675 ( -0.088 -0.274 -0.491) 0.569 15.039 ( 1.153 2.318 0.677) 2.676 15.341 ( 2.352 9.218 4.512) 10.529 15.353 ( -2.246 5.772 -4.981) 7.948 15.918 ( -0.892 0.684 1.069) 1.551 16.686 ( -1.880 -18.631 3.010) 18.966 17.190 ( 0.169 -7.950 -0.332) 7.959 17.655 ( 0.438 16.851 -3.625) 17.242 18.467 ( -0.648 -3.767 0.656) 3.878 18.812 ( -1.062 0.582 1.790) 2.161 18.845 ( 2.505 0.266 -3.001) 3.918 19.170 ( 0.008 0.849 0.062) 0.851 ======================= Grid point 319 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.388 9.837 -3.801) 11.076 1.393 ( -1.595 -0.130 -1.313) 2.070 1.525 ( 0.720 0.024 0.472) 0.861 1.555 ( -1.028 -1.035 2.819) 3.174 1.923 ( 0.628 -0.092 1.006) 1.190 1.976 ( 11.451 3.336 0.573) 11.941 2.200 ( 7.306 -7.818 1.760) 10.845 2.900 ( 0.876 16.263 -0.847) 16.309 3.644 ( 0.461 -16.794 -0.293) 16.803 5.131 ( -2.969 35.389 1.176) 35.533 5.540 ( -3.447 0.633 1.104) 3.675 5.950 ( 1.583 3.715 -0.285) 4.049 6.834 ( -3.187 -12.552 -0.038) 12.951 7.076 ( -11.651 -22.044 -0.522) 24.940 7.483 ( 8.424 7.958 -0.812) 11.617 7.987 ( 11.495 -12.254 -0.651) 16.814 9.363 ( -20.305 4.636 0.283) 20.830 10.117 ( 11.729 5.271 -0.657) 12.876 14.550 ( -10.053 -1.063 -0.192) 10.111 15.204 ( 10.506 3.867 -1.698) 11.323 15.343 ( 1.675 -0.657 -3.539) 3.970 15.532 ( 5.100 10.059 2.023) 11.457 15.870 ( -2.077 -4.542 2.480) 5.576 16.519 ( -3.826 -7.014 2.564) 8.391 17.085 ( -3.494 -7.401 -0.337) 8.191 17.833 ( 4.384 12.265 -1.215) 13.082 18.426 ( -1.203 -2.847 2.135) 3.756 18.791 ( -0.741 -2.024 -0.375) 2.188 18.886 ( 1.877 2.804 -1.961) 3.903 19.165 ( -1.353 0.119 0.024) 1.359 ======================= Grid point 320 (173/226) ======================= q-point: ( 0.73 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 4.734 5.650 -2.864) 7.908 1.348 ( -2.647 0.225 -0.117) 2.659 1.489 ( -1.694 -3.334 0.128) 3.742 1.565 ( 0.200 0.961 1.757) 2.013 1.932 ( 0.975 -1.050 0.116) 1.438 2.089 ( 0.675 -0.742 -0.041) 1.003 2.461 ( 23.867 -0.175 1.193) 23.897 3.086 ( 0.114 17.318 -0.253) 17.320 3.497 ( 1.755 -15.973 -0.532) 16.078 5.368 ( -3.222 23.627 0.910) 23.863 5.477 ( -4.535 0.500 0.970) 4.665 5.964 ( 0.227 -6.419 -0.323) 6.431 6.634 ( -7.366 -8.912 -0.753) 11.586 6.731 ( -8.244 -9.132 0.094) 12.303 7.770 ( 12.505 14.061 -0.884) 18.838 8.067 ( 13.541 -15.619 -0.243) 20.673 9.010 ( -24.706 2.340 0.473) 24.822 10.331 ( 8.486 2.710 -0.384) 8.917 14.382 ( -7.537 -1.146 0.028) 7.624 15.265 ( -0.605 -1.167 -6.215) 6.352 15.441 ( 7.010 -1.341 0.958) 7.201 15.708 ( 7.622 3.969 -0.636) 8.617 15.848 ( 1.119 0.406 4.485) 4.640 16.444 ( -2.298 0.518 1.526) 2.807 16.926 ( -7.438 -5.553 -0.574) 9.300 18.019 ( 6.444 7.086 -0.717) 9.605 18.380 ( -3.277 -1.506 2.983) 4.680 18.755 ( -0.206 -2.138 -1.590) 2.673 18.949 ( 2.569 3.271 -0.130) 4.161 19.128 ( -2.407 -0.832 0.002) 2.547 ======================= Grid point 321 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 1.712 -2.140 -1.693) 3.222 1.355 ( 1.107 4.750 1.427) 5.082 1.417 ( -2.604 -3.145 -0.481) 4.111 1.590 ( 0.547 1.597 0.601) 1.792 1.944 ( 2.505 -2.346 0.452) 3.462 2.070 ( -1.542 -0.402 -0.749) 1.761 2.852 ( 19.009 0.660 0.595) 19.029 3.132 ( -8.362 2.398 -0.040) 8.699 3.427 ( 1.984 -3.572 -0.786) 4.161 5.413 ( -2.195 0.136 0.157) 2.205 5.542 ( 6.679 5.059 1.140) 8.456 5.811 ( -9.153 -4.756 -0.826) 10.349 6.512 ( -1.259 0.096 -0.730) 1.459 6.576 ( -5.515 -0.618 0.486) 5.571 8.106 ( 9.704 -5.836 -0.319) 11.328 8.169 ( 15.809 6.402 -0.385) 17.060 8.594 ( -25.225 -0.082 0.522) 25.231 10.445 ( 3.457 -0.141 -0.128) 3.462 14.287 ( -2.954 0.172 0.071) 2.960 15.213 ( 2.164 -5.830 -2.506) 6.704 15.486 ( -0.356 0.843 0.366) 0.985 15.852 ( 4.590 0.620 -0.494) 4.657 15.902 ( 0.545 2.432 1.922) 3.147 16.470 ( 5.149 -1.053 0.329) 5.266 16.732 ( -11.075 0.232 -0.843) 11.110 18.167 ( 6.104 -0.314 -0.988) 6.191 18.314 ( -5.440 3.177 2.201) 6.673 18.738 ( 1.014 -1.746 -0.620) 2.112 19.036 ( 3.627 3.263 0.850) 4.952 19.073 ( -2.621 -1.295 -0.121) 2.926 ======================= Grid point 326 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.637 7.788 0.478) 9.626 1.333 ( 0.959 0.451 2.521) 2.735 1.546 ( 0.492 -1.485 -0.462) 1.631 1.626 ( -2.717 -0.883 -2.774) 3.982 1.909 ( -0.942 1.627 1.823) 2.618 1.996 ( 2.745 8.842 -0.365) 9.265 2.212 ( 11.227 3.448 0.862) 11.776 2.889 ( -12.900 9.543 -0.152) 16.047 3.627 ( 14.492 -8.139 0.927) 16.646 5.159 ( -31.925 15.638 -0.766) 35.557 5.569 ( -2.156 -2.793 -0.974) 3.660 5.939 ( -2.724 3.260 0.483) 4.275 6.847 ( 8.930 -9.375 -0.885) 12.977 7.036 ( 12.332 -20.986 2.314) 24.451 7.473 ( -1.545 10.429 -0.140) 10.544 7.976 ( 16.913 4.422 0.108) 17.482 9.361 ( -13.503 -14.874 0.457) 20.094 10.107 ( 1.290 12.633 0.080) 12.699 14.549 ( -4.031 -8.956 -0.127) 9.823 15.102 ( -5.550 5.760 4.065) 8.973 15.315 ( 6.711 5.787 -0.369) 8.869 15.576 ( -4.079 5.389 -1.307) 6.884 15.910 ( 1.620 -0.273 -0.328) 1.675 16.539 ( 6.372 -4.656 1.790) 8.093 17.056 ( 5.803 -6.769 1.524) 9.045 17.849 ( -6.555 8.109 -2.504) 10.723 18.491 ( 1.371 -0.847 -2.605) 3.063 18.756 ( 0.636 -2.684 1.823) 3.306 18.885 ( -2.408 2.956 -1.303) 4.029 19.191 ( -2.551 -1.643 -1.970) 3.618 ======================= Grid point 327 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -4.452 10.918 -0.246) 11.793 1.343 ( -0.027 -1.020 0.972) 1.409 1.529 ( -0.100 -1.892 0.122) 1.898 1.590 ( -0.112 0.054 -1.357) 1.363 1.891 ( -2.120 -0.041 3.194) 3.834 2.081 ( -0.662 4.665 -0.292) 4.721 2.508 ( 10.169 12.778 -0.583) 16.341 2.753 ( -14.057 7.479 -0.137) 15.924 3.770 ( 10.237 -8.164 1.101) 13.140 4.829 ( -24.152 20.848 -1.165) 31.927 5.499 ( -1.030 -3.548 -1.029) 3.835 5.930 ( -3.769 5.902 0.623) 7.030 6.885 ( 6.782 -10.211 0.425) 12.265 7.030 ( 13.468 -24.793 1.559) 28.258 7.527 ( -4.430 10.978 -0.344) 11.843 8.395 ( 23.698 6.640 -0.490) 24.616 8.931 ( -16.929 -17.481 -0.101) 24.335 10.219 ( -2.775 11.294 0.149) 11.631 14.430 ( 0.146 -6.860 -0.128) 6.863 15.089 ( -3.681 5.772 6.686) 9.569 15.473 ( 0.887 3.577 -1.329) 3.918 15.613 ( 0.572 13.065 -0.933) 13.111 15.843 ( -6.768 -0.534 -1.008) 6.864 16.608 ( 9.580 -12.216 -0.714) 15.541 17.076 ( 5.548 -9.163 0.547) 10.726 17.813 ( -8.283 12.763 -3.111) 15.530 18.486 ( 1.800 -3.706 -2.800) 4.981 18.751 ( 0.569 -1.928 3.181) 3.763 18.875 ( -2.420 4.277 -1.089) 5.034 19.142 ( -0.514 -1.493 -0.362) 1.620 ======================= Grid point 328 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -4.731 11.587 -2.393) 12.743 1.345 ( 1.242 -0.307 -0.156) 1.288 1.516 ( 0.332 -2.086 1.340) 2.501 1.593 ( 0.599 -0.186 0.293) 0.692 1.878 ( -1.268 0.589 4.060) 4.294 2.072 ( -4.795 2.974 -0.270) 5.649 2.494 ( -15.909 -2.752 -0.612) 16.156 2.762 ( 0.960 16.127 -1.461) 16.221 3.785 ( 2.734 -12.693 1.074) 13.029 4.827 ( -5.877 31.707 -0.757) 32.256 5.479 ( 2.423 -1.591 -0.921) 3.041 5.936 ( -3.048 6.451 0.927) 7.195 6.873 ( 4.465 -12.205 1.022) 13.036 7.037 ( 14.807 -23.860 0.471) 28.085 7.534 ( -6.763 10.020 -0.646) 12.106 8.428 ( -16.952 -16.729 -0.554) 23.823 8.905 ( 24.005 5.853 -0.703) 24.718 10.225 ( -7.957 8.353 0.054) 11.536 14.431 ( 6.019 -3.507 -0.106) 6.967 15.151 ( -1.013 8.029 6.514) 10.388 15.459 ( -3.558 2.450 -1.217) 4.489 15.593 ( -13.308 4.921 -1.803) 14.303 15.848 ( 4.245 4.447 0.515) 6.169 16.594 ( 6.046 -15.257 -2.855) 16.657 17.079 ( 5.498 -9.277 -0.622) 10.802 17.800 ( -7.547 14.589 -2.131) 16.563 18.457 ( 1.367 -5.121 -1.994) 5.663 18.770 ( 1.329 -0.555 2.665) 3.029 18.872 ( -2.231 3.685 -0.409) 4.327 19.143 ( 1.290 -0.211 0.940) 1.610 ======================= Grid point 329 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -3.624 10.492 -3.573) 11.661 1.367 ( 1.542 0.384 -2.278) 2.778 1.508 ( 0.309 -1.894 2.128) 2.866 1.604 ( 0.024 -0.380 2.797) 2.823 1.898 ( 0.155 1.750 3.818) 4.203 1.956 ( -11.160 1.774 -0.627) 11.318 2.213 ( -7.560 -7.745 -0.434) 10.832 2.905 ( -1.079 16.321 -1.804) 16.456 3.651 ( -0.635 -17.041 0.464) 17.059 5.153 ( 1.968 35.694 0.213) 35.749 5.530 ( 3.822 0.367 -0.312) 3.853 5.955 ( -1.686 3.963 0.916) 4.403 6.820 ( 3.539 -12.390 0.346) 12.890 7.049 ( 12.081 -22.170 0.248) 25.249 7.487 ( -8.162 7.502 -1.197) 11.151 8.015 ( -12.334 -12.292 -0.455) 17.420 9.345 ( 20.796 4.327 -0.949) 21.262 10.122 ( -11.537 5.515 -0.002) 12.787 14.553 ( 10.081 -0.902 -0.103) 10.122 15.173 ( -9.091 3.208 1.423) 9.745 15.426 ( -1.342 4.989 3.971) 6.516 15.462 ( -5.777 6.416 -3.215) 9.213 15.896 ( 0.770 -5.235 -0.421) 5.308 16.534 ( 2.925 -8.444 -1.595) 9.078 17.072 ( 3.999 -7.994 -1.297) 9.032 17.827 ( -4.146 12.382 -0.968) 13.094 18.427 ( 1.096 -3.879 -0.056) 4.031 18.791 ( 0.835 -1.290 1.153) 1.921 18.873 ( -1.338 3.502 -0.453) 3.776 19.175 ( 0.996 0.887 1.640) 2.114 ======================= Grid point 330 (179/226) ======================= q-point: ( 0.64 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.572 7.868 -3.348) 8.570 1.381 ( 1.051 -0.014 -3.405) 3.563 1.509 ( 0.521 -1.903 2.174) 2.936 1.605 ( -1.568 0.529 3.941) 4.274 1.837 ( 0.757 -0.360 -0.563) 1.010 1.929 ( 0.398 -0.245 1.830) 1.889 2.087 ( -0.046 -6.281 0.099) 6.282 3.055 ( -0.121 18.342 -1.377) 18.394 3.465 ( -0.201 -18.499 -0.010) 18.500 5.499 ( -0.330 26.786 0.903) 26.803 5.586 ( 0.288 3.465 0.520) 3.516 5.942 ( -0.449 -4.585 0.479) 4.632 6.764 ( 0.556 -5.717 -0.603) 5.776 6.968 ( 0.997 -18.370 0.240) 18.398 7.450 ( -0.072 5.633 -1.149) 5.750 7.812 ( -1.076 -6.096 -0.594) 6.218 9.604 ( 1.295 2.193 -0.732) 2.650 10.016 ( -0.750 2.924 -0.143) 3.022 14.672 ( -0.397 0.253 -0.245) 0.531 15.059 ( 1.124 -0.149 0.362) 1.190 15.386 ( -5.483 2.027 -3.821) 6.984 15.573 ( 3.360 9.808 2.164) 10.591 15.806 ( 0.719 -11.564 0.659) 11.605 16.514 ( 0.024 -1.593 0.025) 1.593 17.044 ( 0.798 -5.008 -1.499) 5.289 17.889 ( 0.204 7.568 -0.419) 7.582 18.419 ( 0.545 -1.496 1.982) 2.542 18.778 ( -0.570 -1.925 -0.247) 2.023 18.895 ( 0.257 3.188 -0.359) 3.219 19.196 ( -0.843 1.162 1.872) 2.360 ======================= Grid point 331 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 2.344 4.267 -2.756) 5.594 1.366 ( -0.464 -0.789 -3.045) 3.180 1.493 ( -1.166 -1.874 2.202) 3.118 1.599 ( -1.418 0.747 2.943) 3.351 1.888 ( 0.833 -4.826 0.548) 4.928 2.049 ( 19.968 -2.988 0.375) 20.194 2.072 ( 1.611 1.896 -0.508) 2.539 3.247 ( 0.840 18.529 -0.810) 18.566 3.293 ( 1.667 -17.806 -0.341) 17.887 5.550 ( -4.002 -0.654 1.147) 4.215 5.636 ( -5.611 1.186 -0.151) 5.738 5.887 ( 0.974 -1.763 0.576) 2.095 6.716 ( -5.772 5.101 -1.132) 7.786 6.788 ( -6.200 -5.497 0.756) 8.320 7.615 ( 13.364 1.836 -0.690) 13.507 7.817 ( 5.759 -0.327 -0.886) 5.836 9.412 ( -19.961 0.200 -0.158) 19.963 10.166 ( 11.634 0.180 -0.388) 11.642 14.541 ( -10.794 0.244 -0.010) 10.797 15.220 ( 9.982 -5.214 0.049) 11.262 15.280 ( -0.705 1.729 -4.080) 4.487 15.670 ( 1.268 0.652 -0.017) 1.426 15.803 ( 5.291 -0.174 2.302) 5.773 16.484 ( -2.075 -1.274 -0.109) 2.437 16.989 ( -3.420 -0.107 -1.708) 3.824 17.974 ( 3.835 2.697 -0.129) 4.690 18.428 ( -0.810 0.955 3.149) 3.389 18.741 ( -1.092 -1.759 -1.012) 2.305 18.938 ( 1.660 2.171 0.337) 2.754 19.182 ( -2.876 0.960 1.858) 3.556 ======================= Grid point 332 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 1.389 -1.017 -1.912) 2.572 1.353 ( 1.395 0.176 -1.470) 2.034 1.453 ( -2.865 -0.845 2.023) 3.607 1.610 ( 0.112 1.994 1.203) 2.331 1.857 ( 2.583 -7.067 1.202) 7.620 2.079 ( 0.194 0.580 -1.046) 1.211 2.465 ( 25.015 0.015 -0.221) 25.016 3.121 ( -0.564 -17.575 -0.830) 17.604 3.449 ( 1.161 15.742 -0.369) 15.789 5.382 ( -1.862 -21.042 -0.399) 21.128 5.506 ( -4.177 -2.178 0.352) 4.724 5.929 ( -0.764 5.784 0.411) 5.848 6.645 ( -9.977 9.884 -0.588) 14.056 6.699 ( -5.648 5.895 0.659) 8.190 7.774 ( 11.154 -12.515 0.154) 16.765 8.076 ( 14.555 16.472 -1.263) 22.017 9.016 ( -24.699 -2.014 0.127) 24.781 10.329 ( 8.383 -2.583 -0.203) 8.775 14.387 ( -7.541 1.502 0.129) 7.690 15.126 ( -0.832 -7.591 -1.347) 7.754 15.454 ( 6.878 1.775 -0.704) 7.138 15.739 ( 7.144 0.610 0.906) 7.227 15.883 ( 2.739 -1.462 0.162) 3.109 16.421 ( -1.935 -3.325 -1.769) 4.234 16.918 ( -7.026 5.790 -1.691) 9.260 18.061 ( 4.987 -1.216 0.169) 5.136 18.429 ( -2.881 3.306 2.282) 4.943 18.708 ( -0.092 -1.650 -0.356) 1.691 18.996 ( 2.797 0.939 1.117) 3.155 19.142 ( -3.609 1.343 1.726) 4.220 ======================= Grid point 337 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -2.397 4.156 2.141) 5.254 1.328 ( 1.102 -0.124 2.892) 3.097 1.519 ( -0.053 -1.520 -1.845) 2.391 1.634 ( -1.128 -1.865 -2.541) 3.347 1.901 ( 4.331 -1.112 -1.492) 4.714 2.048 ( 9.547 17.224 0.689) 19.705 2.064 ( 2.735 0.235 0.605) 2.811 3.240 ( -15.227 10.031 0.206) 18.235 3.285 ( 15.928 -7.404 0.897) 17.588 5.566 ( -1.447 -4.117 -1.286) 4.550 5.633 ( -2.343 -4.845 0.336) 5.393 5.895 ( 1.101 0.221 -0.734) 1.342 6.703 ( -6.869 -3.132 0.878) 7.601 6.794 ( 0.416 -7.053 -0.181) 7.067 7.604 ( 4.835 12.800 0.942) 13.716 7.808 ( 3.777 4.657 0.461) 6.014 9.407 ( -9.891 -16.893 0.643) 19.586 10.162 ( 5.514 10.151 0.250) 11.555 14.541 ( -5.561 -9.107 -0.059) 10.671 15.221 ( 7.737 0.158 -0.485) 7.754 15.243 ( -2.209 6.324 1.943) 6.974 15.667 ( -1.233 2.262 0.342) 2.599 15.820 ( 6.335 3.599 -0.117) 7.287 16.483 ( 1.074 -2.846 0.044) 3.042 16.962 ( -1.407 -3.001 2.400) 4.092 17.971 ( -0.800 4.588 0.313) 4.668 18.469 ( -1.220 -0.281 -3.236) 3.470 18.729 ( 0.618 -1.722 0.768) 1.984 18.942 ( -1.272 2.772 -0.350) 3.070 19.210 ( -2.856 -2.164 -2.412) 4.320 ======================= Grid point 338 (183/226) ======================= q-point: ( 0.36 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.889 6.783 2.075) 7.341 1.341 ( -0.368 -0.484 0.862) 1.055 1.494 ( 0.547 -3.363 -0.687) 3.476 1.589 ( -1.063 -0.308 -1.921) 2.217 1.931 ( -0.081 0.603 0.245) 0.656 2.086 ( 1.797 -0.162 0.479) 1.867 2.472 ( 12.609 20.332 -0.543) 23.931 3.085 ( -14.513 9.036 -0.116) 17.097 3.487 ( 14.551 -6.680 1.062) 16.047 5.384 ( -21.518 8.880 -1.432) 23.323 5.487 ( -2.685 -4.005 -0.667) 4.868 5.959 ( 5.229 -3.088 0.401) 6.086 6.624 ( 4.778 -11.764 0.929) 12.731 6.730 ( 2.738 -10.492 0.234) 10.846 7.759 ( -5.673 17.688 0.859) 18.595 8.066 ( 20.557 4.231 -0.164) 20.989 9.013 ( -14.183 -20.057 -0.026) 24.565 10.326 ( 1.934 8.845 0.328) 9.060 14.383 ( -2.796 -7.065 -0.105) 7.599 15.194 ( -0.757 0.214 4.680) 4.746 15.446 ( 5.072 5.071 0.067) 7.173 15.702 ( 0.746 8.146 0.396) 8.190 15.899 ( 0.230 1.041 -3.247) 3.418 16.462 ( 0.145 -2.207 -1.158) 2.497 16.912 ( 1.837 -9.211 1.531) 9.517 18.011 ( -2.652 8.647 0.395) 9.053 18.421 ( -0.569 -3.676 -3.238) 4.932 18.734 ( 1.065 -0.945 1.646) 2.176 18.952 ( -1.709 4.252 -0.474) 4.607 19.134 ( -1.638 -2.754 -1.031) 3.366 ======================= Grid point 339 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -2.811 8.782 0.790) 9.255 1.319 ( -0.173 -1.440 -1.493) 2.081 1.475 ( 1.338 -3.764 1.495) 4.265 1.580 ( 0.447 0.280 -0.552) 0.763 1.929 ( -1.587 1.665 1.879) 2.970 2.104 ( 0.824 -1.387 -0.420) 1.667 2.737 ( -7.077 9.373 -0.919) 11.780 2.951 ( -6.165 12.307 -1.011) 13.802 3.602 ( 6.273 -10.080 1.185) 11.932 5.216 ( -11.033 20.330 -1.434) 23.175 5.430 ( 0.415 -2.404 -0.646) 2.524 5.993 ( 2.000 -2.970 1.099) 3.745 6.612 ( 8.466 -15.130 0.470) 17.344 6.696 ( 4.785 -9.274 0.263) 10.439 7.800 ( -9.079 16.121 0.529) 18.509 8.460 ( 8.965 -4.346 -0.902) 10.004 8.601 ( 0.087 -11.110 -0.122) 11.111 10.390 ( -3.161 5.847 0.142) 6.648 14.323 ( 2.225 -3.766 -0.029) 4.375 15.245 ( 1.073 4.336 5.410) 7.016 15.493 ( 0.128 -0.846 0.040) 0.856 15.805 ( -5.499 4.064 -3.245) 7.569 15.843 ( -0.518 3.110 0.188) 3.158 16.439 ( 0.117 -0.852 -2.682) 2.817 16.874 ( 5.853 -11.359 -0.131) 12.779 18.037 ( -5.982 10.609 0.078) 12.180 18.365 ( 1.620 -5.953 -2.159) 6.537 18.759 ( 1.198 -0.005 2.033) 2.359 18.952 ( -2.943 4.033 -0.721) 5.044 19.114 ( 1.769 -1.369 1.163) 2.521 ======================= Grid point 340 (185/226) ======================= q-point: ( 0.55 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -5.254 8.305 -1.829) 9.996 1.318 ( 2.538 -1.667 -1.982) 3.626 1.475 ( 1.517 -3.068 2.461) 4.215 1.599 ( 1.036 0.306 1.547) 1.886 1.933 ( -1.020 1.749 2.341) 3.095 2.078 ( -1.556 -1.839 -1.122) 2.657 2.437 ( -23.628 -1.923 -0.887) 23.723 3.091 ( -0.279 17.586 -1.526) 17.654 3.504 ( -1.522 -16.197 0.759) 16.286 5.394 ( 3.465 23.787 -0.513) 24.043 5.454 ( 4.197 -0.465 -0.473) 4.249 5.976 ( 0.270 -6.013 1.603) 6.229 6.619 ( 7.005 -9.078 -0.778) 11.493 6.715 ( 7.398 -8.620 0.455) 11.368 7.766 ( -12.564 13.254 -0.133) 18.263 8.102 ( -13.331 -15.148 -0.569) 20.187 8.979 ( 24.716 2.058 -0.654) 24.810 10.335 ( -8.215 2.877 -0.086) 8.705 14.385 ( 7.689 -1.095 0.106) 7.767 15.319 ( -1.935 3.553 1.832) 4.442 15.485 ( 0.262 0.570 2.293) 2.377 15.648 ( -10.576 3.565 -1.899) 11.321 15.829 ( -2.435 -6.222 -1.983) 6.970 16.449 ( 1.789 1.219 -1.176) 2.464 16.893 ( 7.324 -7.292 -1.617) 10.461 18.012 ( -6.634 7.025 -0.532) 9.677 18.357 ( 3.059 -3.107 0.418) 4.381 18.780 ( 0.453 -0.330 1.055) 1.195 18.935 ( -2.457 3.124 -0.424) 3.997 19.162 ( 2.658 0.726 2.375) 3.638 ======================= Grid point 341 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -4.039 5.024 -2.701) 6.989 1.336 ( 1.987 -0.954 -2.990) 3.715 1.487 ( 1.322 -1.817 2.757) 3.557 1.626 ( 0.387 0.049 3.137) 3.161 1.919 ( -1.811 -3.282 0.375) 3.767 2.001 ( -15.302 1.897 -0.694) 15.435 2.060 ( -4.041 -3.976 -0.365) 5.681 3.248 ( -0.261 16.175 -1.227) 16.224 3.299 ( -2.617 -15.727 0.198) 15.944 5.526 ( 4.559 -0.386 0.277) 4.584 5.639 ( 5.629 -1.588 0.257) 5.855 5.917 ( -1.772 0.055 1.366) 2.238 6.699 ( 6.333 5.343 -1.970) 8.517 6.773 ( 6.358 -4.601 0.763) 7.885 7.606 ( -12.782 1.599 -0.809) 12.907 7.850 ( -7.110 -0.583 -0.207) 7.137 9.380 ( 20.705 -0.034 -0.830) 20.721 10.178 ( -11.407 0.359 -0.162) 11.413 14.548 ( 10.920 0.312 0.143) 10.925 15.191 ( -11.718 -1.100 -0.470) 11.779 15.510 ( -6.492 1.969 1.645) 6.981 15.603 ( 3.586 4.896 -2.121) 6.429 15.678 ( -2.036 -9.096 -0.826) 9.358 16.483 ( 2.005 -1.653 -0.180) 2.605 16.955 ( 5.031 -0.432 -2.051) 5.450 17.966 ( -3.511 2.391 -0.196) 4.252 18.399 ( 2.260 0.429 2.554) 3.437 18.773 ( -0.547 -1.052 -0.350) 1.236 18.932 ( -1.271 2.862 -0.081) 3.133 19.219 ( 1.150 1.326 2.793) 3.299 ======================= Grid point 342 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.810 1.220 -2.698) 3.070 1.332 ( 0.888 -2.068 -3.568) 4.218 1.505 ( 0.299 -0.119 3.049) 3.066 1.623 ( -1.243 -1.948 3.203) 3.950 1.811 ( 0.144 -8.702 -0.683) 8.730 1.858 ( -0.004 2.233 -0.131) 2.237 2.070 ( 1.012 2.383 -0.306) 2.607 3.101 ( 0.118 -17.899 -0.239) 17.901 3.426 ( -0.258 19.575 -0.898) 19.597 5.482 ( 0.028 -31.365 0.180) 31.366 5.581 ( 1.024 -0.613 1.043) 1.585 5.943 ( -1.221 3.445 0.195) 3.661 6.827 ( 0.319 2.980 1.041) 3.173 6.905 ( 0.598 20.898 -1.379) 20.952 7.479 ( 0.331 -2.455 -0.532) 2.534 7.797 ( -1.168 5.678 -0.894) 5.866 9.597 ( 1.778 -2.143 -0.870) 2.917 10.025 ( -1.084 -1.852 0.004) 2.146 14.679 ( -0.587 0.517 -0.105) 0.789 15.042 ( 0.895 -2.282 0.071) 2.452 15.351 ( -8.093 -3.599 -1.128) 8.928 15.612 ( 3.103 -5.555 1.579) 6.556 15.743 ( 4.044 6.032 -2.503) 7.681 16.473 ( 0.451 -3.898 -1.187) 4.099 17.022 ( 1.022 4.697 -1.944) 5.185 17.951 ( 0.398 0.057 0.806) 0.901 18.453 ( 1.011 2.087 3.448) 4.155 18.744 ( -1.146 -1.015 -1.098) 1.884 18.944 ( -0.092 1.848 0.446) 1.904 19.241 ( -1.306 0.952 2.714) 3.159 ======================= Grid point 343 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 1.570 -3.623 -2.273) 4.556 1.312 ( 1.317 -2.023 -2.943) 3.807 1.506 ( -2.288 0.328 3.564) 4.248 1.610 ( 1.495 -1.215 0.730) 2.060 1.747 ( 1.636 -7.527 1.178) 7.792 2.018 ( 10.566 -0.065 1.691) 10.701 2.139 ( 8.293 3.820 -2.768) 9.541 2.939 ( 0.439 -16.575 -0.870) 16.604 3.608 ( 0.037 17.678 -0.428) 17.683 5.120 ( -1.436 -36.097 -0.421) 36.128 5.562 ( -2.676 -0.950 0.619) 2.906 5.932 ( 0.823 -3.367 0.006) 3.467 6.852 ( -4.299 8.622 1.185) 9.707 7.026 ( -11.861 23.853 -0.222) 26.640 7.524 ( 7.227 -5.827 -0.335) 9.289 7.978 ( 12.759 13.047 -1.342) 18.298 9.370 ( -19.655 -4.043 -0.462) 20.072 10.122 ( 11.123 -4.320 0.015) 11.933 14.558 ( -10.096 1.350 0.014) 10.186 15.059 ( 0.650 -8.969 0.696) 9.019 15.316 ( 7.887 1.925 -0.072) 8.119 15.645 ( 4.498 -2.701 2.593) 5.853 15.817 ( 2.149 0.038 -3.646) 4.232 16.418 ( -1.636 -2.597 -4.127) 5.144 17.059 ( -2.822 7.560 -1.693) 8.245 17.986 ( 3.008 -0.412 1.312) 3.307 18.496 ( -0.525 2.700 2.613) 3.794 18.708 ( -1.385 -0.967 -0.489) 1.759 18.973 ( 1.575 0.872 1.481) 2.331 19.219 ( -3.078 0.317 2.388) 3.909 ======================= Grid point 403 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -0.000 0.000 9.720) 9.720 0.444 ( -0.000 0.000 9.720) 9.720 0.478 ( -0.000 0.000 9.166) 9.166 1.515 ( 0.000 -0.000 -5.062) 5.062 1.515 ( 0.000 -0.000 -5.062) 5.062 2.255 ( -0.000 0.000 2.243) 2.243 2.255 ( -0.000 0.000 2.243) 2.243 2.422 ( -0.000 0.000 2.078) 2.078 3.277 ( 0.000 -0.000 -2.259) 2.259 4.310 ( 0.000 -0.000 -0.074) 0.074 5.502 ( 0.000 -0.000 -0.262) 0.262 5.502 ( 0.000 -0.000 -0.262) 0.262 7.363 ( 0.000 -0.000 -3.240) 3.240 7.699 ( -0.000 0.000 2.562) 2.562 8.508 ( -0.000 0.000 0.018) 0.018 8.508 ( 0.000 0.000 0.018) 0.018 8.975 ( -0.000 0.000 0.085) 0.085 8.975 ( 0.000 0.000 0.085) 0.085 14.628 ( -0.000 0.000 0.753) 0.753 14.628 ( -0.000 0.000 0.753) 0.753 14.752 ( 0.000 0.000 0.021) 0.021 14.752 ( 0.000 0.000 0.021) 0.021 15.898 ( 0.000 0.000 -0.100) 0.100 15.898 ( 0.000 0.000 -0.100) 0.100 17.506 ( 0.000 -0.000 -0.014) 0.014 18.623 ( 0.000 -0.000 -0.093) 0.093 18.659 ( 0.000 0.000 -0.202) 0.202 18.659 ( 0.000 0.000 -0.202) 0.202 19.041 ( 0.000 -0.000 -0.064) 0.064 19.250 ( -0.000 0.000 0.315) 0.315 ======================= Grid point 404 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -1.992 -1.361 8.977) 9.295 0.645 ( 16.899 -2.679 6.997) 18.485 1.015 ( 24.819 21.069 3.911) 32.790 1.498 ( -1.357 5.721 -4.745) 7.556 1.547 ( 4.186 -0.957 -3.974) 5.850 2.242 ( -2.130 -1.740 2.095) 3.457 2.269 ( -4.200 -1.916 1.939) 5.007 2.513 ( 14.435 7.065 1.333) 16.127 3.107 ( -11.067 -5.892 1.954) 12.689 4.288 ( -2.147 -1.152 -0.057) 2.438 5.515 ( 1.172 0.934 -0.321) 1.533 5.537 ( 3.107 0.599 -0.104) 3.166 7.315 ( -2.580 -1.067 -2.084) 3.483 7.639 ( -5.189 -3.168 1.386) 6.235 8.442 ( -4.811 -3.240 0.265) 5.806 8.684 ( 0.762 1.687 -3.189) 3.687 9.020 ( 8.417 11.193 -2.175) 14.173 9.051 ( 8.985 -1.298 -0.315) 9.084 14.631 ( -0.432 5.041 1.374) 5.242 14.731 ( -1.572 0.761 0.140) 1.752 14.829 ( 6.295 3.220 -0.071) 7.071 14.858 ( 16.598 2.844 -4.494) 17.429 15.884 ( -1.068 -1.164 -0.158) 1.588 16.112 ( 18.201 10.830 -2.403) 21.315 17.486 ( -1.739 -1.023 0.049) 2.019 18.470 ( -16.851 -10.379 0.332) 19.793 18.639 ( 0.392 -3.190 -0.074) 3.215 18.640 ( 1.254 0.070 -0.463) 1.338 19.046 ( -0.859 0.530 0.120) 1.016 19.145 ( -6.651 -0.053 1.927) 6.925 ======================= Grid point 405 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 1.649 1.316 4.007) 4.529 0.960 ( 15.961 0.637 5.832) 17.005 1.482 ( 10.408 7.843 -0.651) 13.049 1.519 ( -0.765 5.800 -4.960) 7.669 1.627 ( 6.438 3.357 1.131) 7.348 2.110 ( -7.578 -2.756 1.212) 8.154 2.232 ( -0.231 -1.745 2.257) 2.862 2.825 ( -5.050 -5.402 5.734) 9.358 3.124 ( 28.812 17.764 -2.196) 33.919 4.208 ( -5.321 -2.732 0.174) 5.984 5.548 ( 1.900 -0.035 -0.349) 1.933 5.608 ( 3.805 2.275 0.205) 4.438 7.260 ( -2.081 -0.028 -1.181) 2.393 7.489 ( -7.824 -5.303 0.031) 9.452 8.305 ( -7.051 -4.060 0.666) 8.163 8.457 ( -16.670 -9.000 -0.505) 18.951 9.205 ( 7.625 4.252 -0.128) 8.731 9.387 ( 16.749 10.017 -3.998) 19.921 14.682 ( 1.323 -1.976 0.726) 2.487 14.743 ( -0.446 9.169 2.212) 9.442 15.006 ( 9.188 4.360 -0.084) 10.171 15.111 ( 12.546 2.092 -5.693) 13.935 15.850 ( -1.145 -0.786 -0.013) 1.389 16.599 ( 22.798 11.742 0.253) 25.645 17.425 ( -3.835 -2.277 0.184) 4.464 17.955 ( -23.569 -16.892 -2.231) 29.083 18.595 ( -1.083 -3.274 0.094) 3.450 18.682 ( 2.711 0.838 -0.853) 2.963 18.990 ( -5.909 2.200 0.735) 6.348 19.132 ( 0.965 2.117 -0.454) 2.370 ======================= Grid point 406 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 8.806 5.228 0.306) 10.246 1.202 ( 8.950 -0.165 4.936) 10.222 1.541 ( 0.446 3.237 -4.045) 5.200 1.605 ( 1.295 4.572 -0.645) 4.795 1.787 ( 5.469 1.675 1.174) 5.839 1.989 ( -4.433 -1.067 0.307) 4.569 2.240 ( 1.257 -0.905 1.995) 2.526 2.687 ( -3.592 -3.276 2.142) 5.312 3.933 ( 37.933 21.899 -0.361) 43.802 4.049 ( -8.871 -4.803 0.784) 10.118 5.568 ( 1.240 -0.683 -0.676) 1.569 5.722 ( 5.814 4.014 0.251) 7.069 7.232 ( -5.454 1.190 1.392) 5.753 7.290 ( -4.239 -6.253 -2.424) 7.934 8.004 ( -22.914 -13.276 0.142) 26.482 8.136 ( -8.265 -4.215 0.982) 9.330 9.373 ( 7.596 3.071 0.092) 8.193 9.700 ( 11.300 7.662 -1.710) 13.760 14.671 ( 0.007 -1.295 0.215) 1.312 14.878 ( 3.146 8.562 3.628) 9.817 15.180 ( 6.323 2.191 -0.138) 6.693 15.295 ( 9.457 3.060 -5.001) 11.127 15.857 ( 1.986 1.505 0.606) 2.564 16.938 ( -0.507 -5.417 14.220) 15.225 17.309 ( -5.794 -3.294 -0.300) 6.671 17.516 ( -3.026 -1.995 -13.659) 14.132 18.542 ( -1.556 -2.741 -0.130) 3.155 18.738 ( 3.262 0.648 -0.536) 3.369 18.917 ( -5.154 1.971 -0.573) 5.547 19.170 ( 1.304 2.020 -1.446) 2.805 ======================= Grid point 407 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 9.907 5.988 0.500) 11.587 1.308 ( 2.862 -1.047 3.778) 4.854 1.555 ( 0.049 0.571 -1.880) 1.966 1.645 ( -0.418 3.706 -2.340) 4.403 1.840 ( 0.897 -1.218 0.538) 1.605 1.945 ( -0.546 0.347 -0.273) 0.702 2.215 ( -3.910 -3.428 1.401) 5.385 2.740 ( 9.192 4.483 0.660) 10.248 3.794 ( -13.683 -7.087 0.709) 15.426 4.789 ( 36.318 20.607 -0.090) 41.757 5.579 ( 1.282 -0.531 -1.017) 1.720 5.873 ( 6.184 4.322 0.438) 7.558 7.005 ( -11.811 -6.644 -0.884) 13.580 7.317 ( 2.926 3.363 0.254) 4.465 7.453 ( -23.543 -15.587 0.428) 28.239 7.957 ( -8.390 -3.933 1.071) 9.328 9.513 ( 5.725 1.567 0.528) 5.959 9.908 ( 6.466 4.912 -0.383) 8.129 14.665 ( 0.035 -0.151 0.206) 0.258 15.014 ( 2.812 4.419 2.291) 5.717 15.268 ( 2.084 3.198 1.063) 3.962 15.454 ( 8.046 2.568 -3.584) 9.175 15.920 ( 0.774 0.455 0.990) 1.337 16.657 ( -13.126 -11.606 5.505) 18.365 17.166 ( -7.098 -4.641 1.194) 8.564 17.681 ( 12.478 7.388 -5.164) 15.393 18.489 ( -1.421 -2.193 -1.173) 2.864 18.790 ( 1.315 -0.234 1.271) 1.843 18.862 ( -1.689 1.964 -2.043) 3.299 19.201 ( 0.939 1.941 -2.046) 2.972 ======================= Grid point 408 (194/226) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 6.451 4.441 2.067) 8.101 1.337 ( 0.402 -0.999 3.407) 3.573 1.534 ( -1.162 -0.693 -1.699) 2.172 1.652 ( -0.365 1.449 -3.341) 3.660 1.831 ( 0.201 -1.012 0.349) 1.090 1.947 ( -1.150 -0.617 -0.893) 1.581 2.085 ( -5.056 -3.500 0.423) 6.164 3.040 ( 16.086 9.084 0.812) 18.492 3.461 ( -16.110 -8.808 0.560) 18.369 5.510 ( 24.090 14.022 -0.770) 27.884 5.593 ( 2.168 0.176 -0.642) 2.268 5.947 ( -3.656 -0.929 -0.172) 3.776 6.763 ( -6.109 -4.228 -0.423) 7.441 6.966 ( -14.860 -9.211 0.637) 17.495 7.437 ( 4.962 2.718 0.875) 5.725 7.803 ( -5.713 -2.020 0.852) 6.119 9.594 ( 2.638 -0.415 0.868) 2.808 10.014 ( 2.034 2.336 0.072) 3.098 14.669 ( 0.090 0.546 0.189) 0.585 15.062 ( 0.733 -0.699 -0.076) 1.016 15.345 ( -0.834 7.372 2.267) 7.758 15.594 ( 7.521 1.535 -1.063) 7.749 15.807 ( -8.196 -8.141 0.568) 11.566 16.511 ( -0.588 -1.052 0.525) 1.315 17.021 ( -4.314 -3.554 1.981) 5.931 17.889 ( 6.205 3.402 -0.348) 7.085 18.450 ( 0.060 -1.122 -2.737) 2.959 18.771 ( -2.212 -0.119 0.789) 2.351 18.897 ( 2.673 1.345 -0.524) 3.038 19.225 ( 0.786 1.970 -2.481) 3.265 ======================= Grid point 415 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.996 -2.090 6.534) 6.932 0.701 ( -12.554 15.790 6.452) 21.179 0.991 ( 7.305 29.871 3.682) 30.971 1.447 ( 3.243 -0.910 -3.929) 5.176 1.557 ( -0.828 5.529 -4.043) 6.899 2.256 ( -0.777 -2.968 2.286) 3.826 2.269 ( 0.836 -4.656 1.349) 4.919 2.518 ( -0.961 15.820 1.310) 15.903 3.114 ( 0.317 -11.823 1.263) 11.894 4.290 ( 0.063 -2.050 -0.097) 2.054 5.516 ( 0.573 2.020 -0.030) 2.100 5.530 ( -1.251 2.034 -0.292) 2.406 7.308 ( 0.325 -2.332 -1.882) 3.014 7.644 ( -0.133 -6.419 1.183) 6.529 8.455 ( -0.369 -5.081 0.014) 5.094 8.665 ( 0.910 2.165 -2.459) 3.400 9.014 ( 4.445 11.504 -1.653) 12.443 9.048 ( -4.530 6.805 -0.150) 8.176 14.672 ( 7.479 4.415 0.863) 8.728 14.731 ( -1.725 0.464 0.233) 1.801 14.810 ( -0.627 6.354 -0.144) 6.387 14.825 ( -5.305 12.150 -3.068) 13.608 15.875 ( -0.434 -1.770 0.033) 1.822 16.111 ( 0.321 20.735 -1.908) 20.825 17.487 ( -0.015 -1.979 0.039) 1.980 18.464 ( -0.213 -19.736 0.244) 19.739 18.633 ( -1.059 0.139 -0.233) 1.093 18.654 ( -2.142 0.096 -0.288) 2.163 19.053 ( 0.529 0.828 -0.275) 1.020 19.143 ( 2.944 -7.438 1.879) 8.217 ======================= Grid point 416 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -1.843 0.581 3.719) 4.191 0.859 ( 5.953 15.424 7.254) 18.054 1.398 ( 9.920 13.222 -0.387) 16.534 1.501 ( 3.996 0.139 -3.580) 5.367 1.619 ( 2.301 8.635 -1.802) 9.116 2.167 ( -3.720 -7.766 0.788) 8.647 2.240 ( -0.626 -0.677 2.333) 2.508 2.805 ( 6.552 10.964 5.611) 13.950 3.007 ( 3.351 6.002 -2.295) 7.247 4.244 ( -2.435 -3.469 -0.090) 4.239 5.534 ( -0.016 0.644 0.158) 0.664 5.575 ( 2.908 3.381 0.205) 4.464 7.277 ( -0.870 -0.864 -1.552) 1.978 7.534 ( -4.493 -7.969 0.476) 9.161 8.279 ( -7.778 -12.202 0.315) 14.474 8.774 ( 0.890 0.851 -1.818) 2.196 8.910 ( -1.632 -2.312 -0.182) 2.836 9.367 ( 11.289 19.560 -2.489) 22.720 14.676 ( -2.981 -1.555 0.170) 3.366 14.844 ( 2.135 7.955 -1.526) 8.377 14.933 ( 7.757 7.645 -1.349) 10.975 14.946 ( 6.809 10.090 0.287) 12.176 15.846 ( -0.737 -2.162 0.013) 2.285 16.454 ( 13.066 23.360 -0.817) 26.779 17.446 ( -1.858 -3.206 0.141) 3.708 18.079 ( -15.332 -27.100 0.990) 31.152 18.590 ( -1.462 -2.285 0.798) 2.827 18.663 ( 0.737 2.049 -0.491) 2.232 19.055 ( -1.224 -0.397 -1.360) 1.872 19.130 ( 0.954 -0.892 -0.452) 1.382 ======================= Grid point 417 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 3.141 7.129 0.759) 7.827 1.136 ( 6.384 9.926 5.783) 13.143 1.521 ( 2.446 0.841 -3.833) 4.624 1.597 ( 3.838 3.386 -1.292) 5.279 1.768 ( 3.888 8.779 0.576) 9.618 2.037 ( -3.815 -4.245 -1.037) 5.800 2.257 ( 0.153 3.257 2.355) 4.022 2.721 ( -5.111 -7.960 3.461) 10.073 3.586 ( 28.796 28.455 -0.312) 40.484 4.134 ( -5.808 -5.055 0.143) 7.701 5.535 ( 0.450 -1.416 0.242) 1.505 5.680 ( 4.525 5.103 -0.083) 6.821 7.261 ( -0.433 0.503 -1.894) 2.007 7.354 ( -7.121 -7.198 0.879) 10.163 7.976 ( -9.235 -20.962 0.077) 22.907 8.560 ( -22.847 9.232 0.397) 24.645 9.046 ( 18.371 -12.806 -0.561) 22.401 9.711 ( 7.796 18.169 -1.591) 19.835 14.617 ( -0.309 -4.827 0.348) 4.849 14.959 ( 2.052 9.833 -0.225) 10.048 15.130 ( 6.965 7.371 -0.515) 10.154 15.184 ( 7.620 10.299 -1.264) 12.874 15.824 ( 1.250 -1.798 0.122) 2.193 16.896 ( 11.027 11.539 9.072) 18.359 17.359 ( -4.240 -4.689 0.258) 6.327 17.548 ( -14.116 -17.541 -6.824) 23.527 18.545 ( -1.595 -2.696 1.129) 3.330 18.704 ( 1.884 1.944 -0.335) 2.728 18.993 ( -3.504 -0.917 -2.882) 4.629 19.154 ( 1.585 1.111 -1.400) 2.388 ======================= Grid point 418 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 7.546 10.065 0.502) 12.590 1.290 ( 2.065 3.407 3.744) 5.467 1.547 ( 0.919 0.816 -2.385) 2.683 1.645 ( 1.314 -0.273 -1.829) 2.269 1.890 ( -0.017 7.465 1.813) 7.682 1.959 ( -1.688 0.210 -3.357) 3.764 2.297 ( -4.300 5.114 2.153) 7.020 2.657 ( 4.304 -0.379 1.771) 4.670 3.941 ( -10.538 -6.447 0.282) 12.356 4.385 ( 34.081 22.817 0.496) 41.017 5.529 ( 1.406 -2.793 -0.176) 3.132 5.824 ( 5.720 6.178 -0.138) 8.421 7.096 ( -8.998 -9.762 -1.416) 13.352 7.331 ( 0.647 6.034 0.540) 6.092 7.553 ( -13.285 -24.491 -0.070) 27.863 8.265 ( -21.543 7.963 1.147) 22.996 9.215 ( 16.879 -14.043 0.116) 21.957 9.966 ( 3.372 15.323 -0.517) 15.698 14.575 ( 2.273 -7.364 0.299) 7.713 15.094 ( 1.789 9.780 0.236) 9.945 15.295 ( 3.119 8.780 0.359) 9.325 15.364 ( 4.120 7.622 -2.442) 9.002 15.874 ( 5.055 -0.460 0.493) 5.100 16.793 ( -15.634 -18.250 10.480) 26.217 17.221 ( -5.626 -6.439 0.651) 8.576 17.542 ( 12.128 12.957 -7.065) 19.102 18.491 ( -1.927 -2.890 0.629) 3.530 18.760 ( 2.446 1.527 0.546) 2.935 18.912 ( -3.261 -0.236 -3.373) 4.697 19.182 ( 1.501 0.659 -1.996) 2.583 ======================= Grid point 419 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 6.862 8.882 1.924) 11.388 1.333 ( 0.447 -0.390 2.907) 2.967 1.535 ( -1.118 -1.026 -2.035) 2.538 1.639 ( 0.503 -1.217 -2.619) 2.932 1.929 ( -0.328 2.191 -0.438) 2.259 1.961 ( -3.024 9.050 -1.792) 9.708 2.201 ( -10.273 1.894 1.530) 10.558 2.883 ( 13.818 9.105 1.525) 16.618 3.653 ( -15.155 -7.556 0.096) 16.934 5.152 ( 32.445 15.601 0.283) 36.002 5.530 ( 2.457 -3.514 -0.297) 4.299 5.963 ( 2.799 4.000 -0.370) 4.896 6.829 ( -9.874 -9.579 -1.127) 13.803 7.050 ( -13.263 -21.757 0.100) 25.481 7.474 ( 2.295 11.445 0.865) 11.704 8.005 ( -16.544 4.634 1.038) 17.212 9.335 ( 13.961 -15.780 0.657) 21.080 10.121 ( -1.074 12.670 0.029) 12.715 14.552 ( 4.332 -8.949 0.094) 9.943 15.183 ( -3.277 10.216 -0.281) 10.732 15.423 ( 1.367 9.432 1.871) 9.713 15.479 ( 5.489 2.788 -3.144) 6.913 15.883 ( -5.182 -4.637 1.643) 7.145 16.504 ( -3.163 -6.761 3.051) 8.064 17.055 ( -5.431 -7.685 1.373) 9.510 17.827 ( 8.133 9.431 -0.905) 12.487 18.432 ( -1.358 -2.915 -0.850) 3.327 18.795 ( -0.362 -0.357 0.413) 0.655 18.880 ( 0.729 2.158 -1.501) 2.728 19.202 ( 1.613 0.062 -2.461) 2.943 ======================= Grid point 426 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 1.945 1.489 3.698) 4.435 1.038 ( -6.741 16.745 1.854) 18.146 1.338 ( -10.094 14.168 1.005) 17.425 1.409 ( -3.223 -0.145 -1.066) 3.398 1.611 ( -1.845 4.900 -0.713) 5.284 2.144 ( 4.325 -8.301 1.714) 9.515 2.262 ( 0.015 -0.254 1.423) 1.446 2.870 ( -10.057 17.195 3.766) 20.273 2.964 ( -0.355 0.820 -1.354) 1.623 4.240 ( 2.649 -3.732 0.067) 4.577 5.547 ( -0.903 2.583 -0.667) 2.816 5.579 ( -2.282 1.829 0.210) 2.932 7.261 ( 1.461 -1.986 -0.872) 2.615 7.543 ( 4.046 -7.062 0.036) 8.139 8.275 ( 7.850 -12.955 0.454) 15.154 8.768 ( 0.324 2.248 -1.608) 2.783 8.903 ( 0.030 -2.633 0.073) 2.635 9.369 ( -10.715 18.765 -2.425) 21.744 14.659 ( 0.201 0.190 2.267) 2.284 14.721 ( 0.919 2.505 1.841) 3.242 14.958 ( -6.323 9.123 -0.121) 11.101 15.058 ( -8.046 11.422 -5.983) 15.198 15.851 ( 0.916 -2.150 -0.164) 2.343 16.463 ( -14.153 25.033 -1.760) 28.811 17.447 ( 1.826 -3.122 0.099) 3.618 18.124 ( 13.838 -24.672 -2.042) 28.361 18.647 ( 0.740 -1.050 -1.259) 1.798 18.670 ( -0.778 2.571 -1.141) 2.918 18.969 ( 3.896 -6.767 3.950) 8.751 19.102 ( -1.074 0.736 0.303) 1.336 ======================= Grid point 427 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -0.248 1.776 0.523) 1.868 1.063 ( -5.270 15.778 3.080) 16.918 1.402 ( 1.432 2.410 -2.263) 3.603 1.453 ( 2.620 10.536 1.400) 10.947 1.657 ( 1.234 6.775 -0.398) 6.898 2.106 ( 0.808 -9.022 1.665) 9.210 2.247 ( -0.730 -0.956 1.216) 1.711 2.867 ( -1.537 -8.675 3.986) 9.670 3.105 ( 0.615 35.327 -1.688) 35.373 4.220 ( 0.138 -5.348 -0.257) 5.356 5.553 ( -0.856 0.618 -0.340) 1.109 5.588 ( 0.327 4.839 0.740) 4.906 7.259 ( 0.781 -1.135 -1.041) 1.727 7.487 ( -0.570 -9.861 -0.037) 9.877 8.327 ( 1.395 -7.618 -0.251) 7.748 8.450 ( -1.294 -18.484 -0.124) 18.530 9.202 ( 0.640 8.908 -0.054) 8.931 9.361 ( -0.239 19.998 -2.597) 20.167 14.710 ( 0.697 -1.165 -0.457) 1.433 14.803 ( 4.022 7.003 1.752) 8.264 14.973 ( -1.392 9.429 0.242) 9.534 15.042 ( -3.013 11.504 -3.161) 12.305 15.844 ( -0.311 -0.985 0.239) 1.061 16.606 ( -0.534 28.730 -0.253) 28.736 17.426 ( -0.065 -4.401 0.116) 4.403 17.933 ( -1.586 -31.621 -1.139) 31.681 18.600 ( -1.899 -2.625 0.098) 3.241 18.685 ( -0.372 2.790 -0.799) 2.926 19.000 ( 3.753 -5.008 0.210) 6.262 19.111 ( 0.398 1.594 0.203) 1.655 ======================= Grid point 428 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 2.281 7.272 -1.350) 7.740 1.216 ( 1.505 12.984 6.084) 14.418 1.447 ( 4.083 0.298 -4.645) 6.192 1.570 ( 2.452 3.671 0.012) 4.414 1.782 ( 4.597 7.574 0.643) 8.883 2.027 ( -1.368 -5.954 -0.195) 6.113 2.268 ( 2.835 1.939 1.899) 3.925 2.737 ( -4.381 -8.324 2.583) 9.754 3.577 ( 10.637 38.607 -0.029) 40.045 4.140 ( -2.000 -7.087 -0.422) 7.376 5.537 ( -1.333 -0.519 0.756) 1.618 5.673 ( 2.752 6.363 0.104) 6.933 7.263 ( -0.225 0.440 -2.121) 2.177 7.352 ( -2.176 -10.167 0.988) 10.444 7.986 ( -14.354 -18.064 -0.082) 23.073 8.553 ( 19.238 -15.042 -0.594) 24.428 9.054 ( -20.174 9.970 0.129) 22.503 9.705 ( 11.947 16.005 -1.434) 20.024 14.630 ( -5.338 -2.632 -0.157) 5.953 14.966 ( 5.328 7.622 -3.989) 10.119 15.109 ( 4.634 9.832 1.777) 11.014 15.181 ( 6.618 10.776 1.020) 12.687 15.817 ( -1.998 -0.161 0.105) 2.007 16.939 ( 5.857 20.422 7.269) 22.454 17.357 ( -1.878 -6.406 -0.050) 6.676 17.521 ( -9.056 -24.736 -4.724) 26.762 18.549 ( -1.382 -2.964 1.492) 3.594 18.710 ( 0.257 3.072 -0.236) 3.092 18.981 ( 0.300 -3.914 -3.657) 5.365 19.138 ( 0.866 1.360 -0.500) 1.688 ======================= Grid point 429 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 5.673 11.423 -0.671) 12.772 1.328 ( -0.476 3.935 2.849) 4.882 1.512 ( 3.293 1.548 -2.198) 4.251 1.611 ( 1.003 -0.742 -0.735) 1.448 1.930 ( 1.444 1.542 3.172) 3.811 1.974 ( 1.685 4.295 -4.170) 6.219 2.414 ( 5.712 10.299 1.778) 11.911 2.607 ( -3.197 -4.758 2.003) 6.072 3.996 ( -3.439 -7.930 -0.443) 8.655 4.188 ( 17.399 30.731 0.870) 35.325 5.503 ( -1.393 -1.903 0.788) 2.486 5.801 ( 4.420 7.227 -0.333) 8.478 7.120 ( -6.405 -10.479 -1.396) 12.360 7.368 ( 3.497 5.170 0.529) 6.264 7.535 ( -14.544 -23.614 -0.400) 27.736 8.685 ( 0.687 -6.172 0.138) 6.211 8.813 ( -5.126 -1.337 0.304) 5.307 10.014 ( 7.823 13.460 -0.648) 15.582 14.516 ( -3.153 -5.129 0.054) 6.021 15.100 ( 4.485 7.285 -4.788) 9.803 15.300 ( 5.103 9.032 2.057) 10.576 15.426 ( 6.437 11.825 0.653) 13.479 15.793 ( 0.695 -0.674 -0.084) 0.972 16.895 ( -13.365 -22.342 11.773) 28.573 17.244 ( -4.849 -7.232 0.225) 8.710 17.470 ( 10.311 17.497 -6.685) 21.381 18.500 ( -1.851 -3.321 2.046) 4.318 18.752 ( 1.097 2.758 0.476) 3.006 18.920 ( -1.081 -2.252 -5.067) 5.649 19.157 ( 0.819 0.273 -1.232) 1.505 ======================= Grid point 430 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 6.642 11.050 0.963) 12.929 1.337 ( -0.531 -0.724 1.089) 1.412 1.534 ( -0.681 -0.926 -1.561) 1.938 1.602 ( 0.783 -1.963 -0.856) 2.280 1.918 ( 0.104 0.427 -2.149) 2.193 2.070 ( 0.202 5.588 -0.054) 5.592 2.481 ( -10.450 12.111 1.327) 16.051 2.740 ( 14.285 7.521 1.861) 16.251 3.796 ( -9.707 -8.371 -0.567) 12.831 4.815 ( 24.861 20.429 1.080) 32.196 5.470 ( 0.113 -2.955 0.502) 2.999 5.946 ( 4.287 5.987 -0.601) 7.388 6.887 ( -8.368 -10.171 -1.142) 13.220 7.042 ( -13.834 -24.944 -0.238) 28.525 7.528 ( 5.266 11.623 0.266) 12.763 8.418 ( -22.947 6.273 0.943) 23.807 8.899 ( 16.740 -17.676 0.304) 24.347 10.226 ( 3.117 11.096 -0.153) 11.526 14.430 ( 0.013 -6.877 0.055) 6.877 15.223 ( 4.826 5.420 -4.470) 8.523 15.450 ( 2.550 5.580 0.029) 6.135 15.572 ( -3.090 12.491 1.503) 12.955 15.851 ( 5.356 -1.562 0.028) 5.580 16.534 ( -9.000 -12.967 6.205) 16.960 17.071 ( -5.937 -9.278 0.626) 11.032 17.792 ( 8.961 14.094 -0.844) 16.723 18.434 ( -2.632 -3.899 1.398) 4.908 18.789 ( 0.591 0.154 -0.346) 0.702 18.887 ( 0.339 1.826 -2.606) 3.200 19.162 ( 1.058 -1.095 -1.836) 2.385 ======================= Grid point 437 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -3.075 7.681 0.614) 8.296 1.287 ( -2.045 13.177 3.957) 13.910 1.406 ( -5.365 -2.047 -4.585) 7.347 1.564 ( -2.544 2.655 0.326) 3.691 1.765 ( -6.407 7.868 1.896) 10.323 2.011 ( 3.520 -5.178 0.925) 6.329 2.284 ( -0.232 4.052 0.884) 4.153 2.748 ( 5.791 -6.965 1.647) 9.206 3.588 ( -28.928 29.115 -0.629) 41.047 4.125 ( 5.832 -5.486 0.623) 8.031 5.561 ( -0.293 -0.573 -1.095) 1.270 5.669 ( -4.441 4.587 0.475) 6.402 7.219 ( 1.415 -3.026 1.108) 3.519 7.388 ( 6.184 -4.083 -1.659) 7.594 7.970 ( 8.777 -21.628 1.021) 23.363 8.550 ( 22.906 9.299 -0.425) 24.726 9.060 ( -18.779 -12.162 -0.321) 22.376 9.701 ( -7.504 17.924 -1.177) 19.467 14.626 ( -0.203 -5.602 0.199) 5.610 14.823 ( -4.048 6.406 5.794) 9.539 15.173 ( -6.658 11.142 -1.040) 13.021 15.247 ( -5.012 8.909 -4.940) 11.353 15.820 ( -0.683 -2.024 -0.069) 2.137 16.962 ( -14.228 18.594 5.390) 24.026 17.359 ( 4.562 -4.723 -0.074) 6.567 17.576 ( 17.237 -19.993 -9.110) 27.925 18.592 ( 3.027 -0.860 -1.506) 3.488 18.722 ( -2.394 2.813 -1.293) 3.914 18.884 ( 1.588 -5.503 3.922) 6.942 19.134 ( -1.518 0.614 -0.289) 1.663 ======================= Grid point 438 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -2.232 7.364 -1.507) 7.840 1.290 ( -5.925 8.681 -5.695) 11.954 1.402 ( 0.151 2.915 5.017) 5.805 1.563 ( -1.976 4.584 1.308) 5.160 1.749 ( -4.708 7.619 1.937) 9.163 2.006 ( 2.057 -6.332 1.321) 6.787 2.283 ( -3.406 1.950 0.372) 3.943 2.756 ( 3.520 -8.425 0.721) 9.159 3.586 ( -10.950 39.755 -0.186) 41.236 4.134 ( 2.387 -7.382 0.130) 7.760 5.552 ( 0.676 -0.798 -0.953) 1.415 5.666 ( -2.488 6.297 0.885) 6.828 7.222 ( 1.913 -3.012 0.970) 3.697 7.387 ( 0.745 -6.778 -1.588) 7.002 7.970 ( 14.080 -18.775 0.489) 23.473 8.571 ( -19.284 -14.341 -0.387) 24.035 9.045 ( 20.480 10.079 -0.526) 22.832 9.701 ( -11.632 15.894 -0.797) 19.712 14.626 ( 4.919 -2.495 -0.226) 5.520 14.880 ( -1.079 8.103 5.339) 9.763 15.157 ( -7.100 10.513 -0.687) 12.704 15.206 ( -7.020 8.354 -4.245) 11.709 15.824 ( 2.122 0.169 0.099) 2.131 16.983 ( -9.577 25.431 3.143) 27.356 17.362 ( 1.764 -5.970 -0.001) 6.226 17.533 ( 9.791 -29.222 -6.910) 31.584 18.588 ( -0.151 -3.184 -1.736) 3.630 18.718 ( -0.660 3.391 -1.576) 3.797 18.900 ( 2.917 -4.329 4.433) 6.848 19.130 ( -0.306 1.503 0.234) 1.551 ======================= Grid point 439 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.228 9.915 -3.199) 10.421 1.321 ( 2.244 8.428 -3.213) 9.295 1.419 ( -2.747 1.944 3.945) 5.186 1.588 ( -0.429 2.543 1.086) 2.798 1.786 ( 1.343 4.773 1.165) 5.093 1.977 ( 0.676 -5.163 1.296) 5.366 2.255 ( -0.297 0.616 0.688) 0.970 2.714 ( -0.318 -5.063 0.170) 5.076 3.919 ( -1.033 41.936 0.468) 41.951 4.069 ( 0.536 -8.059 -0.476) 8.090 5.556 ( -0.066 0.025 0.261) 0.271 5.717 ( 0.094 7.545 0.521) 7.563 7.237 ( 3.558 -6.515 1.459) 7.565 7.284 ( -3.464 -4.299 -2.371) 6.008 8.003 ( 2.688 -26.101 0.173) 26.240 8.160 ( -2.806 -9.123 -0.668) 9.568 9.377 ( 0.555 8.540 -0.160) 8.560 9.688 ( -0.151 14.348 -0.776) 14.369 14.683 ( 0.312 -0.861 -0.605) 1.098 14.951 ( 0.658 6.537 -0.364) 6.581 15.170 ( 0.132 9.453 2.559) 9.794 15.212 ( -0.538 7.930 -2.039) 8.206 15.862 ( -0.470 2.851 0.307) 2.906 17.129 ( -2.894 4.921 12.681) 13.907 17.279 ( 1.015 -4.688 -9.053) 10.246 17.358 ( 0.848 -12.346 -3.984) 13.001 18.541 ( -0.740 -3.424 0.230) 3.511 18.743 ( -0.067 3.768 -0.813) 3.855 18.907 ( 1.540 -4.440 -0.013) 4.700 19.146 ( 0.040 1.604 0.186) 1.616 ======================= Grid point 440 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 4.135 11.921 -2.491) 12.861 1.392 ( -1.930 0.091 -0.412) 1.975 1.465 ( 4.109 5.750 1.002) 7.138 1.595 ( -0.207 -0.756 0.238) 0.819 1.907 ( 6.605 3.878 2.345) 8.010 1.946 ( 0.354 -1.601 -1.447) 2.187 2.314 ( 7.168 -1.352 1.623) 7.473 2.678 ( -2.178 3.825 0.053) 4.402 3.929 ( -0.966 -11.915 -0.606) 11.970 4.384 ( 3.058 39.887 0.929) 40.015 5.538 ( -2.544 -0.023 1.139) 2.788 5.816 ( 2.380 7.922 -0.227) 8.275 7.094 ( -4.073 -12.707 -0.463) 13.352 7.326 ( 4.317 3.012 -0.655) 5.305 7.573 ( -14.523 -22.558 -0.287) 26.831 8.252 ( 17.237 -14.698 -0.436) 22.657 9.237 ( -20.285 8.141 0.297) 21.860 9.958 ( 11.775 10.664 -0.662) 15.900 14.581 ( -7.899 -2.115 -0.202) 8.179 15.073 ( 4.972 7.225 -5.348) 10.272 15.318 ( 5.621 4.424 1.797) 7.375 15.345 ( 7.484 9.203 1.740) 11.989 15.859 ( -3.643 3.771 0.296) 5.252 16.874 ( -6.946 -25.520 5.768) 27.070 17.241 ( -3.079 -7.914 -0.289) 8.496 17.496 ( 6.319 21.185 -2.227) 22.219 18.500 ( -0.878 -3.444 1.870) 4.016 18.780 ( -0.147 3.560 0.795) 3.651 18.872 ( 0.592 -3.255 -3.969) 5.167 19.156 ( -0.406 0.766 -0.225) 0.896 ======================= Grid point 441 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 6.302 10.682 -1.020) 12.445 1.353 ( -1.938 -0.508 -0.532) 2.073 1.530 ( -0.222 -0.244 -0.179) 0.375 1.577 ( 0.023 -1.514 0.767) 1.697 1.921 ( -0.498 0.640 -1.402) 1.619 2.077 ( 4.141 3.284 0.317) 5.294 2.493 ( 15.468 -2.457 1.671) 15.751 2.749 ( -0.773 16.037 0.392) 16.061 3.782 ( -1.720 -12.882 -0.832) 13.023 4.812 ( 5.826 31.027 1.371) 31.599 5.485 ( -3.402 -0.745 1.059) 3.640 5.938 ( 3.377 6.201 -0.552) 7.082 6.890 ( -5.184 -12.088 -0.250) 13.155 7.048 ( -15.185 -23.459 -1.274) 27.974 7.526 ( 7.420 10.127 -0.152) 12.555 8.392 ( 17.176 -17.046 0.037) 24.198 8.928 ( -23.728 6.028 0.466) 24.487 10.222 ( 8.305 8.161 -0.385) 11.650 14.429 ( -5.908 -3.559 0.025) 6.897 15.177 ( 3.154 5.568 -6.764) 9.311 15.455 ( 3.885 2.896 1.456) 5.060 15.601 ( 11.928 6.073 0.897) 13.415 15.830 ( -3.756 3.809 1.079) 5.457 16.569 ( -7.193 -14.229 4.968) 16.700 17.082 ( -5.694 -9.004 -0.258) 10.657 17.793 ( 7.587 15.161 -0.019) 16.953 18.450 ( -2.321 -3.645 2.712) 5.102 18.783 ( -0.817 -1.018 -1.496) 1.986 18.877 ( 2.069 2.880 -1.730) 3.946 19.144 ( -0.839 -0.676 -0.624) 1.245 ======================= Grid point 448 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -7.268 10.098 0.581) 12.456 1.362 ( 0.818 1.422 3.270) 3.658 1.501 ( -4.461 3.056 -3.571) 6.480 1.594 ( -0.321 -0.586 0.266) 0.720 1.903 ( -0.631 4.822 2.554) 5.493 1.948 ( 0.849 1.492 -1.502) 2.281 2.323 ( 4.833 6.091 0.255) 7.779 2.676 ( -3.763 0.469 0.240) 3.799 3.921 ( 10.037 -6.998 0.659) 12.253 4.394 ( -33.376 23.105 -0.593) 40.597 5.553 ( -1.217 -2.071 -1.232) 2.700 5.812 ( -5.691 5.759 0.460) 8.109 7.086 ( 7.600 -9.636 0.868) 12.304 7.325 ( 1.390 4.127 -0.622) 4.399 7.565 ( 11.752 -23.382 0.917) 26.186 8.248 ( 21.686 7.784 0.077) 23.040 9.240 ( -16.960 -13.344 -0.129) 21.581 9.954 ( -3.235 15.373 -0.013) 15.710 14.579 ( -2.055 -7.725 0.055) 7.994 14.996 ( -5.173 6.609 6.318) 10.505 15.327 ( 2.939 9.826 -0.193) 10.258 15.390 ( -6.720 7.841 -4.417) 11.231 15.860 ( -5.283 -0.916 0.096) 5.363 16.893 ( 19.300 -15.222 3.077) 24.772 17.230 ( 5.284 -5.989 1.022) 8.052 17.526 ( -13.961 13.538 -6.823) 20.609 18.523 ( 2.851 -1.482 -1.769) 3.667 18.793 ( -3.129 3.049 -1.201) 4.531 18.827 ( 1.710 -3.611 2.966) 4.977 19.158 ( -1.440 -0.403 -0.593) 1.609 ======================= Grid point 449 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -5.586 11.401 -1.098) 12.744 1.354 ( -1.258 -0.651 -0.916) 1.687 1.494 ( -1.620 5.201 0.520) 5.472 1.599 ( 0.464 0.290 1.055) 1.189 1.911 ( -1.677 -0.270 5.008) 5.289 1.968 ( -3.072 5.225 -2.243) 6.463 2.429 ( -6.405 10.057 -0.460) 11.932 2.626 ( 2.977 -4.604 -0.874) 5.552 3.990 ( 5.459 -7.358 0.570) 9.180 4.198 ( -18.328 31.087 -0.608) 36.093 5.516 ( 0.714 -2.380 -1.136) 2.732 5.795 ( -4.157 7.332 0.662) 8.454 7.100 ( 5.220 -10.164 1.602) 11.538 7.380 ( -1.603 4.909 -1.378) 5.345 7.527 ( 13.166 -24.387 0.850) 27.727 8.689 ( 7.053 -1.504 -0.549) 7.232 8.817 ( -2.469 -5.632 -0.290) 6.157 10.010 ( -7.624 13.603 0.080) 15.594 14.517 ( 3.022 -5.216 -0.090) 6.029 15.024 ( -3.038 7.917 6.876) 10.918 15.341 ( -5.511 7.847 -4.249) 10.488 15.431 ( -7.268 11.196 -0.081) 13.348 15.793 ( 0.885 0.123 0.039) 0.894 16.992 ( 14.242 -24.719 -1.944) 28.595 17.244 ( 4.029 -7.288 0.077) 8.328 17.441 ( -12.056 20.252 -3.522) 23.830 18.531 ( 1.751 -3.370 -2.601) 4.603 18.763 ( -1.743 2.352 -1.284) 3.197 18.854 ( 1.404 -1.772 5.246) 5.713 19.145 ( -0.090 0.397 0.556) 0.689 ======================= Grid point 450 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -4.082 11.897 -2.713) 12.867 1.336 ( -0.502 2.201 -3.362) 4.050 1.514 ( -1.459 2.427 2.712) 3.921 1.619 ( 0.286 0.429 2.246) 2.305 1.885 ( -6.507 3.613 3.478) 8.215 1.933 ( -0.536 -1.618 -0.140) 1.710 2.314 ( -7.126 -1.175 -0.551) 7.243 2.679 ( 2.112 3.578 -1.570) 4.441 3.942 ( 0.764 -12.342 0.075) 12.366 4.389 ( -3.325 40.953 -0.134) 41.088 5.530 ( 2.629 -0.487 -0.354) 2.697 5.819 ( -2.386 8.166 0.649) 8.532 7.077 ( 4.004 -12.220 1.451) 12.941 7.344 ( -4.490 2.664 -1.373) 5.398 7.551 ( 14.628 -23.225 0.224) 27.449 8.278 ( -17.528 -14.502 -0.816) 22.764 9.220 ( 20.791 7.894 -0.584) 22.247 9.962 ( -11.569 10.818 0.088) 15.839 14.579 ( 7.780 -1.847 -0.353) 8.004 15.077 ( -4.400 7.234 3.047) 8.999 15.317 ( -5.187 7.522 -3.142) 9.662 15.335 ( -7.773 6.036 1.992) 10.041 15.876 ( 3.056 4.282 0.189) 5.265 16.889 ( 6.295 -26.833 -3.767) 27.818 17.231 ( 3.180 -7.878 -0.860) 8.538 17.489 ( -6.118 21.470 0.434) 22.328 18.504 ( 0.690 -3.899 -1.210) 4.140 18.773 ( 0.091 3.329 -1.588) 3.689 18.866 ( -0.031 -2.601 3.869) 4.662 19.162 ( 0.338 1.202 1.184) 1.721 ======================= Grid point 451 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -0.150 11.897 -2.830) 12.230 1.357 ( 2.298 1.292 -3.828) 4.648 1.521 ( -1.078 2.061 3.218) 3.970 1.615 ( -2.268 -0.097 2.424) 3.322 1.843 ( 1.177 0.418 0.080) 1.252 1.931 ( 0.389 -0.671 1.809) 1.969 2.224 ( 0.203 -5.320 0.088) 5.325 2.753 ( 0.184 10.158 -1.269) 10.239 3.801 ( -0.525 -15.432 -0.464) 15.448 4.784 ( -0.245 41.562 0.633) 41.568 5.567 ( 0.680 0.735 0.749) 1.250 5.876 ( -0.357 7.680 -0.007) 7.688 6.994 ( 0.447 -13.929 0.796) 13.959 7.327 ( -0.882 5.223 -1.204) 5.432 7.457 ( 1.531 -28.475 -0.152) 28.517 7.970 ( -1.254 -9.295 -0.915) 9.424 9.519 ( 1.193 6.003 -0.520) 6.142 9.906 ( -0.692 8.312 -0.090) 8.341 14.669 ( -0.032 -0.152 -0.422) 0.450 15.037 ( -0.398 2.987 -1.110) 3.212 15.297 ( -2.090 4.636 -3.531) 6.191 15.401 ( 1.945 9.344 4.596) 10.593 15.926 ( -0.543 0.963 0.067) 1.107 16.700 ( 0.900 -20.053 -1.125) 20.105 17.181 ( 0.511 -8.220 -1.079) 8.306 17.639 ( 0.041 17.823 1.138) 17.859 18.477 ( 0.385 -3.251 0.840) 3.380 18.811 ( 1.475 2.313 -2.005) 3.398 18.838 ( -1.758 -1.470 1.820) 2.927 19.179 ( -0.617 1.309 1.260) 1.918 ======================= Grid point 452 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 3.846 9.531 -2.159) 10.502 1.366 ( -0.232 -0.549 -2.612) 2.679 1.537 ( -0.544 -0.963 1.007) 1.495 1.590 ( -1.655 1.006 2.774) 3.383 1.924 ( 1.296 -0.062 -0.658) 1.455 1.988 ( 9.633 3.173 0.951) 10.187 2.215 ( 8.018 -8.239 0.502) 11.507 2.892 ( 1.460 16.020 -0.463) 16.093 3.637 ( 0.328 -16.605 -0.699) 16.623 5.146 ( -2.821 35.306 1.180) 35.438 5.555 ( -3.400 0.596 1.178) 3.647 5.946 ( 1.456 3.820 -0.458) 4.113 6.837 ( -3.328 -12.806 0.531) 13.242 7.062 ( -11.807 -21.293 -1.664) 24.404 7.475 ( 8.419 7.369 -0.403) 11.195 7.980 ( 11.766 -12.322 -0.454) 17.043 9.364 ( -19.943 4.500 -0.105) 20.445 10.110 ( 11.720 5.318 -0.427) 12.877 14.548 ( -9.889 -1.009 -0.047) 9.940 15.161 ( 5.213 6.157 -4.603) 9.289 15.317 ( 6.431 -2.658 -0.792) 7.003 15.557 ( 3.547 8.360 1.786) 9.255 15.897 ( -0.864 -2.676 1.652) 3.262 16.543 ( -2.350 -8.701 1.013) 9.070 17.075 ( -3.172 -7.821 -1.252) 8.532 17.829 ( 4.206 12.070 0.622) 12.797 18.457 ( -0.573 -2.324 2.605) 3.537 18.778 ( -1.416 -2.563 -1.534) 3.306 18.875 ( 1.635 4.047 0.138) 4.367 19.172 ( -2.075 0.775 1.084) 2.466 ======================= Grid point 537 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -0.000 0.000 6.891) 6.891 0.551 ( -0.000 0.000 6.891) 6.891 0.573 ( -0.000 0.000 5.749) 5.749 1.455 ( 0.000 -0.000 -4.170) 4.170 1.455 ( 0.000 -0.000 -4.170) 4.170 2.280 ( -0.000 0.000 1.568) 1.568 2.280 ( -0.000 0.000 1.568) 1.568 2.447 ( -0.000 0.000 1.745) 1.745 3.250 ( 0.000 -0.000 -1.847) 1.847 4.310 ( 0.000 -0.000 -0.051) 0.051 5.499 ( 0.000 0.000 -0.193) 0.193 5.499 ( 0.000 0.000 -0.193) 0.193 7.328 ( 0.000 -0.000 -2.174) 2.174 7.726 ( -0.000 0.000 1.647) 1.647 8.508 ( 0.000 0.000 0.010) 0.010 8.508 ( 0.000 0.000 0.010) 0.010 8.976 ( -0.000 0.000 0.066) 0.066 8.976 ( -0.000 0.000 0.066) 0.066 14.638 ( -0.000 0.000 0.774) 0.774 14.638 ( 0.000 0.000 0.774) 0.774 14.751 ( 0.000 -0.000 -0.196) 0.196 14.751 ( 0.000 -0.000 -0.196) 0.196 15.896 ( 0.000 0.000 -0.066) 0.066 15.896 ( 0.000 0.000 -0.066) 0.066 17.506 ( 0.000 -0.000 -0.013) 0.013 18.622 ( 0.000 -0.000 -0.064) 0.064 18.656 ( 0.000 -0.000 -0.153) 0.153 18.656 ( 0.000 0.000 -0.153) 0.153 19.040 ( 0.000 -0.000 -0.052) 0.052 19.253 ( -0.000 0.000 0.239) 0.239 ======================= Grid point 538 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -3.979 -1.396 6.052) 7.376 0.723 ( 15.430 -0.541 5.223) 16.299 1.050 ( 23.718 18.866 1.403) 30.339 1.446 ( -1.125 4.635 -3.181) 5.733 1.501 ( 5.958 0.077 -2.891) 6.622 2.265 ( -2.504 -1.533 1.465) 3.281 2.289 ( -3.733 -1.977 1.059) 4.355 2.528 ( 13.866 7.292 0.950) 15.695 3.120 ( -9.423 -5.270 0.435) 10.805 4.288 ( -2.069 -1.138 0.023) 2.362 5.512 ( 1.147 0.917 -0.124) 1.474 5.535 ( 3.051 1.009 -0.277) 3.225 7.293 ( -2.079 -0.950 -1.230) 2.596 7.653 ( -5.878 -3.491 0.750) 6.878 8.446 ( -4.631 -3.054 0.331) 5.557 8.655 ( 2.020 2.055 -1.564) 3.279 9.003 ( 7.558 6.438 -0.767) 9.958 9.048 ( 6.682 1.600 -0.131) 6.873 14.655 ( 1.027 3.748 2.329) 4.531 14.733 ( -1.582 0.858 0.242) 1.815 14.810 ( 12.580 3.010 -3.115) 13.305 14.828 ( 7.122 3.270 -0.316) 7.843 15.882 ( -1.171 -1.042 -0.223) 1.583 16.093 ( 17.005 10.163 -0.850) 19.829 17.487 ( -1.683 -0.983 0.033) 1.949 18.473 ( -16.961 -9.554 0.040) 19.467 18.635 ( 0.693 -0.001 -0.348) 0.776 18.640 ( 0.261 -2.072 0.159) 2.095 19.047 ( -0.159 0.298 -0.001) 0.338 19.162 ( -6.092 -1.491 0.781) 6.320 ======================= Grid point 539 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -0.506 0.264 3.047) 3.100 1.029 ( 14.973 2.195 4.854) 15.892 1.446 ( 1.929 7.923 -4.535) 9.331 1.482 ( 7.267 3.528 -1.069) 8.149 1.641 ( 7.965 4.039 0.927) 8.978 2.122 ( -7.600 -3.606 0.538) 8.429 2.253 ( -0.498 -1.145 0.952) 1.570 2.881 ( -8.346 -6.053 2.910) 10.713 3.100 ( 31.811 18.991 -1.365) 37.074 4.211 ( -5.066 -2.712 0.344) 5.757 5.545 ( 1.531 0.295 -0.052) 1.560 5.607 ( 3.949 2.311 -0.379) 4.591 7.250 ( -1.390 -0.267 -0.345) 1.456 7.488 ( -8.539 -5.255 -0.120) 10.027 8.314 ( -6.480 -4.624 0.705) 7.992 8.452 ( -16.589 -8.147 -0.267) 18.484 9.203 ( 7.911 3.840 -0.109) 8.795 9.351 ( 17.080 10.421 -1.725) 20.082 14.693 ( 0.168 -2.229 0.902) 2.410 14.777 ( 2.261 7.964 3.005) 8.807 15.000 ( 9.233 4.763 -0.908) 10.428 15.048 ( 11.466 3.003 -3.908) 12.480 15.849 ( -0.989 -0.536 -0.129) 1.132 16.600 ( 25.853 14.359 0.062) 29.573 17.426 ( -3.801 -2.208 0.106) 4.397 17.935 ( -27.478 -17.251 -1.009) 32.461 18.597 ( -1.582 -2.317 0.248) 2.817 18.675 ( 2.459 0.924 -0.219) 2.636 18.997 ( -4.993 -0.266 0.353) 5.013 19.125 ( 0.689 1.240 -0.628) 1.551 ======================= Grid point 540 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 8.123 4.841 1.912) 9.648 1.265 ( 8.334 -0.169 4.935) 9.687 1.481 ( 0.685 4.924 -5.103) 7.125 1.598 ( 1.882 2.841 -0.586) 3.457 1.794 ( 5.225 1.559 -0.021) 5.453 1.989 ( -4.308 -2.229 -0.514) 4.877 2.256 ( 0.945 -0.159 0.557) 1.109 2.708 ( -4.632 -3.116 1.113) 5.693 3.926 ( 36.612 21.854 -0.586) 42.642 4.060 ( -7.331 -4.446 0.875) 8.619 5.560 ( 0.676 -0.393 -0.482) 0.919 5.722 ( 6.147 3.898 -0.232) 7.282 7.253 ( 0.336 2.096 1.089) 2.386 7.262 ( -9.876 -7.374 -1.170) 12.380 8.005 ( -21.798 -14.677 -0.017) 26.278 8.149 ( -9.033 -2.727 0.989) 9.487 9.375 ( 7.763 3.250 0.147) 8.417 9.686 ( 12.026 7.775 -0.516) 14.330 14.676 ( -0.348 -0.963 0.558) 1.166 14.925 ( 4.285 6.169 3.398) 8.244 15.181 ( 6.796 2.623 0.341) 7.292 15.233 ( 8.994 4.042 -4.459) 10.822 15.862 ( 2.232 1.786 0.194) 2.865 17.114 ( 5.495 -0.503 13.255) 14.357 17.279 ( -6.875 -2.449 -6.793) 9.970 17.371 ( -8.471 -4.865 -6.428) 11.694 18.542 ( -2.395 -2.115 0.021) 3.195 18.736 ( 3.433 1.192 0.224) 3.641 18.910 ( -4.530 -0.547 -0.443) 4.584 19.154 ( 1.241 1.301 -0.991) 2.053 ======================= Grid point 549 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.368 -3.779 3.027) 4.856 0.765 ( -6.426 14.373 3.045) 16.036 1.029 ( 3.874 28.568 2.221) 28.915 1.414 ( 2.373 -0.218 -1.125) 2.635 1.509 ( -1.064 6.807 -3.204) 7.598 2.277 ( -0.407 -1.397 0.720) 1.624 2.284 ( 0.493 -5.985 1.238) 6.131 2.531 ( -0.470 15.498 0.740) 15.523 3.122 ( 0.095 -10.376 0.217) 10.379 4.289 ( 0.030 -2.126 -0.082) 2.128 5.515 ( 0.359 1.871 -0.219) 1.918 5.529 ( -0.659 2.472 0.047) 2.559 7.290 ( 0.161 -2.004 -0.970) 2.233 7.655 ( -0.066 -7.043 0.560) 7.065 8.453 ( -0.118 -5.125 -0.174) 5.129 8.645 ( 0.295 2.923 -0.815) 3.049 9.001 ( 1.903 9.110 -0.569) 9.324 9.047 ( -1.881 6.534 -0.024) 6.800 14.686 ( 4.647 4.257 0.942) 6.372 14.734 ( -2.140 0.381 0.198) 2.182 14.786 ( -1.903 9.725 -2.054) 10.120 14.818 ( -0.711 7.384 0.354) 7.427 15.876 ( -0.259 -1.693 0.170) 1.721 16.094 ( 0.249 19.673 -0.875) 19.694 17.487 ( -0.008 -1.928 0.021) 1.928 18.468 ( 0.191 -19.523 0.314) 19.526 18.631 ( -0.572 0.216 -0.052) 0.613 18.649 ( -1.083 -0.121 -0.474) 1.189 19.049 ( 0.210 0.552 -0.232) 0.635 19.160 ( 1.271 -6.806 0.890) 6.981 ======================= Grid point 550 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -1.332 -1.742 1.071) 2.440 0.952 ( 6.098 14.887 6.993) 17.542 1.379 ( 9.089 10.209 -2.256) 13.854 1.458 ( 2.434 3.423 -3.119) 5.232 1.604 ( 3.808 8.971 -0.553) 9.761 2.171 ( -4.382 -7.940 -0.161) 9.070 2.264 ( -0.337 -0.522 1.296) 1.437 2.864 ( 11.168 19.061 3.679) 22.396 2.978 ( -0.911 -1.462 -2.161) 2.764 4.243 ( -2.243 -3.649 -0.102) 4.284 5.535 ( 0.369 1.086 0.173) 1.160 5.578 ( 2.400 3.414 0.228) 4.179 7.261 ( -0.809 -1.123 -0.821) 1.609 7.539 ( -4.556 -8.015 0.303) 9.225 8.281 ( -7.642 -12.379 0.048) 14.548 8.758 ( 1.964 1.035 -0.707) 2.330 8.907 ( -2.266 -1.788 -0.213) 2.894 9.347 ( 11.065 18.944 -0.673) 21.949 14.679 ( -2.514 -1.955 0.148) 3.188 14.811 ( 4.141 5.951 -3.590) 8.090 14.935 ( 6.728 8.385 1.468) 10.851 14.957 ( 5.316 11.503 1.347) 12.744 15.847 ( -0.920 -2.090 0.146) 2.288 16.447 ( 14.178 24.933 -0.284) 28.683 17.448 ( -1.804 -3.137 0.071) 3.619 18.092 ( -15.708 -27.439 0.977) 31.632 18.606 ( -1.135 -2.095 1.538) 2.836 18.659 ( 0.747 1.973 -0.150) 2.115 19.036 ( -1.620 -2.325 -1.688) 3.298 19.121 ( 0.174 -0.618 -0.891) 1.098 ======================= Grid point 551 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 3.551 5.673 1.317) 6.821 1.213 ( 5.240 9.073 6.232) 12.191 1.466 ( 2.897 1.457 -4.797) 5.790 1.580 ( 3.418 3.973 -1.339) 5.409 1.767 ( 4.359 8.972 -0.787) 10.006 2.023 ( -4.323 -5.239 -1.234) 6.904 2.279 ( 0.054 3.623 1.049) 3.772 2.752 ( -5.736 -7.897 1.389) 9.858 3.585 ( 29.146 29.072 0.047) 41.166 4.135 ( -5.466 -5.335 0.025) 7.638 5.541 ( 0.052 -1.193 0.676) 1.372 5.675 ( 4.370 5.182 -0.571) 6.802 7.239 ( -1.034 -1.451 -1.563) 2.370 7.368 ( -6.356 -5.457 1.342) 8.484 7.974 ( -9.303 -21.192 -0.242) 23.145 8.566 ( -22.242 9.355 0.472) 24.134 9.042 ( 18.664 -12.724 -0.040) 22.589 9.698 ( 8.035 18.324 -0.411) 20.013 14.622 ( -0.051 -5.216 0.421) 5.233 14.938 ( 4.937 7.167 -3.323) 9.316 15.137 ( 6.454 8.162 1.750) 10.551 15.178 ( 4.950 12.114 0.357) 13.091 15.825 ( 1.389 -1.808 0.044) 2.280 16.980 ( 18.380 21.205 3.750) 28.312 17.361 ( -4.488 -4.664 0.106) 6.474 17.495 ( -21.135 -25.040 -0.955) 32.782 18.565 ( -2.096 -2.281 1.859) 3.613 18.705 ( 2.148 2.063 0.499) 3.020 18.951 ( -3.036 -2.771 -3.648) 5.496 19.138 ( 1.229 1.030 -1.026) 1.904 ======================= Grid point 560 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 1.962 -0.997 1.553) 2.694 1.025 ( -8.746 14.386 -3.849) 17.271 1.351 ( -4.079 11.282 1.667) 12.112 1.422 ( -5.170 3.782 2.404) 6.842 1.604 ( -3.944 7.045 -0.385) 8.083 2.163 ( 4.536 -8.135 1.127) 9.383 2.272 ( 0.087 -0.382 0.080) 0.400 2.894 ( -16.411 28.498 -0.449) 32.889 2.957 ( 6.073 -10.484 0.741) 12.138 4.241 ( 2.362 -3.724 0.118) 4.412 5.539 ( -0.762 1.674 -0.452) 1.894 5.580 ( -2.164 2.949 -0.074) 3.658 7.256 ( 0.981 -1.539 0.008) 1.825 7.542 ( 4.448 -7.672 -0.196) 8.870 8.280 ( 7.329 -12.854 0.238) 14.798 8.756 ( 0.293 2.580 -0.407) 2.628 8.905 ( 0.009 -2.864 0.172) 2.869 9.348 ( -10.674 18.764 -0.824) 21.603 14.677 ( 0.687 -2.425 0.561) 2.582 14.760 ( -1.005 5.756 4.010) 7.087 14.952 ( -5.290 9.276 -0.798) 10.708 14.992 ( -7.976 10.970 -4.306) 14.230 15.849 ( 1.126 -1.999 -0.194) 2.303 16.448 ( -14.592 25.411 -0.617) 29.309 17.448 ( 1.805 -3.100 0.020) 3.588 18.105 ( 15.150 -26.606 -1.156) 30.639 18.627 ( 1.212 -1.498 -1.732) 2.591 18.660 ( -1.185 1.931 -0.411) 2.303 19.010 ( 2.757 -4.527 2.491) 5.857 19.109 ( -0.325 0.017 0.805) 0.868 ======================= Grid point 561 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -0.432 -0.373 -1.396) 1.508 1.073 ( 0.884 14.868 -1.591) 14.979 1.400 ( -3.023 3.419 2.053) 5.004 1.469 ( 1.731 9.484 1.099) 9.703 1.651 ( 0.823 8.555 -0.646) 8.618 2.121 ( 0.158 -8.789 0.648) 8.815 2.257 ( -0.061 -0.971 0.248) 1.004 2.896 ( -0.230 -11.607 0.553) 11.622 3.092 ( -0.005 38.390 -0.186) 38.391 4.216 ( -0.024 -5.505 -0.356) 5.517 5.548 ( -0.022 1.202 -0.392) 1.265 5.599 ( -0.000 4.632 0.831) 4.706 7.250 ( 0.173 -1.081 -0.380) 1.159 7.487 ( -0.154 -10.187 0.023) 10.188 8.322 ( 1.328 -7.747 -0.554) 7.880 8.450 ( -1.567 -18.267 0.099) 18.334 9.202 ( 0.906 8.844 0.037) 8.890 9.342 ( -0.571 20.097 -0.408) 20.110 14.703 ( 1.171 -1.267 -0.646) 1.842 14.808 ( -1.144 6.862 -1.284) 7.074 14.982 ( -0.654 10.400 1.456) 10.522 15.023 ( 0.721 10.905 0.141) 10.930 15.847 ( -0.201 -0.973 0.227) 1.020 16.602 ( 0.013 30.480 -0.275) 30.481 17.427 ( -0.031 -4.373 0.010) 4.373 17.928 ( -0.159 -33.311 0.139) 33.312 18.600 ( -0.431 -2.499 -0.115) 2.539 18.677 ( 0.152 2.612 -0.470) 2.658 19.000 ( 0.471 -4.817 -0.148) 4.842 19.117 ( 0.037 1.092 0.601) 1.247 ======================= Grid point 562 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 3.478 6.064 -1.049) 7.069 1.288 ( 4.301 12.608 4.436) 14.040 1.393 ( 1.415 -0.075 -3.184) 3.485 1.568 ( 1.746 3.789 -0.272) 4.181 1.781 ( 4.436 8.969 -0.691) 10.030 2.021 ( -2.556 -6.133 -0.637) 6.675 2.285 ( 3.205 2.116 0.682) 3.901 2.756 ( -3.809 -8.894 0.419) 9.685 3.581 ( 10.749 39.322 0.487) 40.767 4.133 ( -1.878 -7.356 -0.642) 7.619 5.548 ( -1.024 -0.225 0.963) 1.424 5.673 ( 2.273 6.224 -0.121) 6.627 7.238 ( -1.186 -1.176 -1.786) 2.445 7.367 ( -1.147 -8.774 1.461) 8.968 7.981 ( -14.359 -18.177 -0.645) 23.174 8.548 ( 19.242 -15.024 -0.111) 24.412 9.056 ( -19.967 10.145 0.253) 22.397 9.695 ( 12.029 15.946 -0.138) 19.975 14.628 ( -5.086 -2.720 -0.162) 5.770 14.900 ( 4.259 7.377 -6.023) 10.432 15.145 ( 4.906 10.794 3.173) 12.274 15.200 ( 6.804 9.683 2.234) 12.044 15.819 ( -2.139 -0.227 0.121) 2.154 16.993 ( 9.949 28.169 0.851) 29.886 17.357 ( -1.956 -7.339 0.117) 7.596 17.503 ( -11.243 -30.663 2.142) 32.729 18.571 ( -0.497 -2.948 1.807) 3.494 18.711 ( 0.607 3.258 0.412) 3.340 18.934 ( -1.516 -4.353 -3.799) 5.973 19.133 ( 0.250 1.373 -0.190) 1.409 ======================= Grid point 672 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.000 0.000 2.569) 2.569 0.612 ( -0.000 0.000 2.569) 2.569 0.622 ( -0.000 0.000 1.955) 1.955 1.416 ( 0.000 -0.000 -1.671) 1.671 1.416 ( 0.000 -0.000 -1.671) 1.671 2.293 ( -0.000 0.000 0.558) 0.558 2.293 ( -0.000 0.000 0.558) 0.558 2.463 ( -0.000 0.000 0.691) 0.691 3.233 ( 0.000 -0.000 -0.721) 0.721 4.309 ( 0.000 -0.000 -0.018) 0.018 5.497 ( 0.000 -0.000 -0.070) 0.070 5.497 ( 0.000 0.000 -0.070) 0.070 7.309 ( 0.000 -0.000 -0.765) 0.765 7.741 ( -0.000 0.000 0.567) 0.567 8.508 ( 0.000 0.000 0.003) 0.003 8.508 ( 0.000 0.000 0.003) 0.003 8.976 ( -0.000 0.000 0.025) 0.025 8.976 ( 0.000 0.000 0.025) 0.025 14.645 ( -0.000 0.000 0.348) 0.348 14.645 ( -0.000 0.000 0.348) 0.348 14.749 ( 0.000 -0.000 -0.136) 0.136 14.749 ( 0.000 0.000 -0.136) 0.136 15.896 ( 0.000 -0.000 -0.022) 0.022 15.896 ( 0.000 0.000 -0.022) 0.022 17.506 ( 0.000 -0.000 -0.005) 0.005 18.622 ( 0.000 -0.000 -0.022) 0.022 18.655 ( 0.000 0.000 -0.057) 0.057 18.655 ( 0.000 0.000 -0.057) 0.057 19.040 ( 0.000 -0.000 -0.020) 0.020 19.255 ( -0.000 0.000 0.089) 0.089 ======================= Grid point 673 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 2.00e-05 2.00e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -4.324 -1.869 1.491) 4.941 0.771 ( 12.769 4.941 1.937) 13.828 1.050 ( 24.119 15.325 -1.097) 28.597 1.417 ( 0.169 0.846 -1.417) 1.659 1.484 ( 6.176 3.032 0.417) 6.893 2.278 ( -2.293 -1.282 0.536) 2.682 2.294 ( -3.934 -2.304 -0.228) 4.565 2.535 ( 13.380 7.634 0.138) 15.405 3.123 ( -8.669 -4.988 0.038) 10.002 4.288 ( -1.945 -1.111 0.067) 2.241 5.512 ( 1.324 0.826 0.136) 1.566 5.531 ( 2.620 1.377 -0.274) 2.972 7.285 ( -1.727 -0.962 -0.141) 1.982 7.658 ( -6.227 -3.606 0.094) 7.197 8.450 ( -4.513 -2.772 0.300) 5.305 8.643 ( 2.491 1.774 -0.376) 3.081 8.998 ( 7.512 4.197 -0.052) 8.605 9.047 ( 5.622 3.259 -0.062) 6.499 14.683 ( 3.120 1.711 1.623) 3.911 14.735 ( -1.389 1.149 -0.003) 1.803 14.779 ( 10.146 4.215 -1.278) 11.060 14.823 ( 6.603 3.563 -0.403) 7.513 15.879 ( -1.374 -0.827 -0.235) 1.621 16.088 ( 16.753 9.714 0.087) 19.366 17.487 ( -1.658 -0.959 0.006) 1.915 18.472 ( -16.835 -9.665 -0.213) 19.413 18.632 ( 0.245 0.241 -0.160) 0.379 18.643 ( -0.148 -0.579 0.407) 0.723 19.047 ( 0.211 0.168 0.100) 0.288 19.167 ( -5.590 -2.932 -0.085) 6.313 =================== 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 3/39930 10.0 67.748 67.748 37.313 0.000 -0.000 0.000 3/39930 20.0 32.058 32.058 7.594 0.000 -0.000 0.000 3/39930 30.0 20.199 20.199 4.053 0.000 -0.000 0.000 3/39930 40.0 15.552 15.552 2.801 0.000 -0.000 0.000 3/39930 50.0 13.219 13.219 2.157 0.000 -0.000 0.000 3/39930 60.0 11.852 11.852 1.762 0.000 -0.000 0.000 3/39930 70.0 10.942 10.942 1.495 0.000 -0.000 0.000 3/39930 80.0 10.254 10.254 1.302 0.000 -0.000 0.000 3/39930 90.0 9.674 9.674 1.155 0.000 -0.000 0.000 3/39930 100.0 9.150 9.150 1.041 0.000 -0.000 0.000 3/39930 110.0 8.663 8.663 0.948 0.000 -0.000 0.000 3/39930 120.0 8.205 8.205 0.872 0.000 -0.000 0.000 3/39930 130.0 7.777 7.777 0.808 0.000 -0.000 0.000 3/39930 140.0 7.378 7.378 0.754 0.000 -0.000 0.000 3/39930 150.0 7.007 7.007 0.707 0.000 -0.000 0.000 3/39930 160.0 6.664 6.664 0.667 0.000 -0.000 0.000 3/39930 170.0 6.346 6.346 0.631 0.000 -0.000 0.000 3/39930 180.0 6.053 6.053 0.599 0.000 -0.000 0.000 3/39930 190.0 5.782 5.782 0.571 0.000 -0.000 0.000 3/39930 200.0 5.532 5.532 0.545 0.000 -0.000 0.000 3/39930 210.0 5.300 5.300 0.522 0.000 -0.000 0.000 3/39930 220.0 5.086 5.086 0.501 0.000 -0.000 0.000 3/39930 230.0 4.887 4.887 0.482 0.000 -0.000 0.000 3/39930 240.0 4.702 4.702 0.464 0.000 -0.000 0.000 3/39930 250.0 4.529 4.529 0.447 0.000 -0.000 0.000 3/39930 260.0 4.369 4.369 0.432 0.000 -0.000 0.000 3/39930 270.0 4.219 4.219 0.418 0.000 -0.000 0.000 3/39930 280.0 4.078 4.078 0.405 0.000 -0.000 0.000 3/39930 290.0 3.946 3.946 0.392 0.000 -0.000 0.000 3/39930 300.0 3.822 3.822 0.380 0.000 -0.000 0.000 3/39930 310.0 3.706 3.706 0.369 0.000 -0.000 0.000 3/39930 320.0 3.596 3.596 0.359 0.000 -0.000 0.000 3/39930 330.0 3.492 3.492 0.349 0.000 -0.000 0.000 3/39930 340.0 3.394 3.394 0.340 0.000 -0.000 0.000 3/39930 350.0 3.301 3.301 0.331 0.000 -0.000 0.000 3/39930 360.0 3.213 3.213 0.323 0.000 -0.000 0.000 3/39930 370.0 3.130 3.130 0.315 0.000 -0.000 0.000 3/39930 380.0 3.051 3.051 0.307 0.000 -0.000 0.000 3/39930 390.0 2.975 2.975 0.300 0.000 -0.000 0.000 3/39930 400.0 2.903 2.903 0.293 0.000 -0.000 0.000 3/39930 410.0 2.835 2.835 0.286 0.000 -0.000 0.000 3/39930 420.0 2.769 2.769 0.280 0.000 -0.000 0.000 3/39930 430.0 2.707 2.707 0.274 0.000 -0.000 0.000 3/39930 440.0 2.647 2.647 0.268 0.000 -0.000 0.000 3/39930 450.0 2.590 2.590 0.263 0.000 -0.000 0.000 3/39930 460.0 2.535 2.535 0.257 0.000 -0.000 0.000 3/39930 470.0 2.482 2.482 0.252 0.000 -0.000 0.000 3/39930 480.0 2.432 2.432 0.247 0.000 -0.000 0.000 3/39930 490.0 2.383 2.383 0.242 0.000 -0.000 0.000 3/39930 500.0 2.337 2.337 0.238 0.000 -0.000 0.000 3/39930 510.0 2.292 2.292 0.233 0.000 -0.000 0.000 3/39930 520.0 2.249 2.249 0.229 0.000 -0.000 0.000 3/39930 530.0 2.207 2.207 0.225 0.000 -0.000 0.000 3/39930 540.0 2.167 2.167 0.221 0.000 -0.000 0.000 3/39930 550.0 2.128 2.128 0.217 0.000 -0.000 0.000 3/39930 560.0 2.091 2.091 0.214 0.000 -0.000 0.000 3/39930 570.0 2.055 2.055 0.210 0.000 -0.000 0.000 3/39930 580.0 2.020 2.020 0.207 0.000 -0.000 0.000 3/39930 590.0 1.987 1.987 0.203 0.000 -0.000 0.000 3/39930 600.0 1.954 1.954 0.200 0.000 -0.000 0.000 3/39930 610.0 1.922 1.922 0.197 0.000 -0.000 0.000 3/39930 620.0 1.892 1.892 0.194 0.000 -0.000 0.000 3/39930 630.0 1.862 1.862 0.191 0.000 -0.000 0.000 3/39930 640.0 1.834 1.834 0.188 0.000 -0.000 0.000 3/39930 650.0 1.806 1.806 0.185 0.000 -0.000 0.000 3/39930 660.0 1.779 1.779 0.183 0.000 -0.000 0.000 3/39930 670.0 1.753 1.753 0.180 0.000 -0.000 0.000 3/39930 680.0 1.727 1.727 0.177 0.000 -0.000 0.000 3/39930 690.0 1.702 1.702 0.175 0.000 -0.000 0.000 3/39930 700.0 1.678 1.678 0.172 0.000 -0.000 0.000 3/39930 710.0 1.655 1.655 0.170 0.000 -0.000 0.000 3/39930 720.0 1.632 1.632 0.168 0.000 -0.000 0.000 3/39930 730.0 1.610 1.610 0.166 0.000 -0.000 0.000 3/39930 740.0 1.589 1.589 0.163 0.000 -0.000 0.000 3/39930 750.0 1.568 1.568 0.161 0.000 -0.000 0.000 3/39930 760.0 1.547 1.547 0.159 0.000 -0.000 0.000 3/39930 770.0 1.527 1.527 0.157 0.000 -0.000 0.000 3/39930 780.0 1.508 1.508 0.155 0.000 -0.000 0.000 3/39930 790.0 1.489 1.489 0.153 0.000 -0.000 0.000 3/39930 800.0 1.471 1.471 0.152 0.000 -0.000 0.000 3/39930 810.0 1.453 1.453 0.150 0.000 -0.000 0.000 3/39930 820.0 1.435 1.435 0.148 0.000 -0.000 0.000 3/39930 830.0 1.418 1.418 0.146 0.000 -0.000 0.000 3/39930 840.0 1.401 1.401 0.144 0.000 -0.000 0.000 3/39930 850.0 1.385 1.385 0.143 0.000 -0.000 0.000 3/39930 860.0 1.369 1.369 0.141 0.000 -0.000 0.000 3/39930 870.0 1.353 1.353 0.140 0.000 -0.000 0.000 3/39930 880.0 1.338 1.338 0.138 0.000 -0.000 0.000 3/39930 890.0 1.323 1.323 0.137 0.000 -0.000 0.000 3/39930 900.0 1.309 1.309 0.135 0.000 -0.000 0.000 3/39930 910.0 1.294 1.294 0.134 0.000 -0.000 0.000 3/39930 920.0 1.280 1.280 0.132 0.000 -0.000 0.000 3/39930 930.0 1.267 1.267 0.131 0.000 -0.000 0.000 3/39930 940.0 1.253 1.253 0.129 0.000 -0.000 0.000 3/39930 950.0 1.240 1.240 0.128 0.000 -0.000 0.000 3/39930 960.0 1.227 1.227 0.127 0.000 -0.000 0.000 3/39930 970.0 1.215 1.215 0.126 0.000 -0.000 0.000 3/39930 980.0 1.203 1.203 0.124 0.000 -0.000 0.000 3/39930 990.0 1.190 1.190 0.123 0.000 -0.000 0.000 3/39930 1000.0 1.179 1.179 0.122 0.000 -0.000 0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:36:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|