----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:13:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.031050745019010 -4.234580890000000 0.000000000000000 b 4.031050745019010 4.234580890000000 0.000000000000000 c -3.338275701240771 0.000000000000000 4.991201112400844 Atomic positions (fractional): *1 O 0.75342967954114 0.87702310768926 0.78721306948828 15.999 2 O 0.12297689231074 0.24657032045886 0.71278693051172 15.999 3 O 0.87702310768926 0.75342967954114 0.28721306948828 15.999 4 O 0.24657032045886 0.12297689231074 0.21278693051172 15.999 *5 Rb 0.36504101115489 0.63495898884511 0.25000000000000 85.468 6 Rb 0.63495898884511 0.36504101115489 0.75000000000000 85.468 *7 Bi 0.09695190637859 0.90304809362141 0.75000000000000 208.980 8 Bi 0.90304809362141 0.09695190637859 0.25000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.062101490038019 0.000000000000000 0.000000000000000 b 0.000000000000000 8.469161780000000 0.000000000000000 c -3.338275701240771 0.000000000000000 4.991201112400844 Atomic positions (fractional): *1 O 0.81522639361520 0.06179671407406 0.78721306948828 15.999 > 1 2 O 0.18477360638480 0.06179671407406 0.71278693051172 15.999 > 2 3 O 0.81522639361520 0.93820328592594 0.28721306948828 15.999 > 3 4 O 0.18477360638480 0.93820328592594 0.21278693051172 15.999 > 4 5 O 0.31522639361520 0.56179671407406 0.78721306948828 15.999 > 1 6 O 0.68477360638480 0.56179671407406 0.71278693051172 15.999 > 2 7 O 0.31522639361520 0.43820328592594 0.28721306948828 15.999 > 3 8 O 0.68477360638480 0.43820328592594 0.21278693051172 15.999 > 4 *9 Rb 0.50000000000000 0.13495898884511 0.25000000000000 85.468 > 5 10 Rb 0.50000000000000 0.86504101115489 0.75000000000000 85.468 > 6 11 Rb 0.00000000000000 0.63495898884511 0.25000000000000 85.468 > 5 12 Rb 0.00000000000000 0.36504101115489 0.75000000000000 85.468 > 6 *13 Bi 0.50000000000000 0.40304809362141 0.75000000000000 208.980 > 7 14 Bi 0.50000000000000 0.59695190637859 0.25000000000000 208.980 > 8 15 Bi 0.00000000000000 0.90304809362141 0.75000000000000 208.980 > 7 16 Bi 0.00000000000000 0.09695190637859 0.25000000000000 208.980 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.124202980076038 0.000000000000000 0.000000000000000 b 0.000000000000000 16.938323560000001 0.000000000000000 c -6.676551402481542 0.000000000000000 9.982402224801689 Atomic positions (fractional): *1 O 0.40761319680760 0.03089835703703 0.39360653474414 15.999 > 1 2 O 0.90761319680760 0.03089835703703 0.39360653474414 15.999 > 1 3 O 0.40761319680760 0.53089835703703 0.39360653474414 15.999 > 1 4 O 0.90761319680760 0.53089835703703 0.39360653474414 15.999 > 1 5 O 0.40761319680760 0.03089835703703 0.89360653474414 15.999 > 1 6 O 0.90761319680760 0.03089835703703 0.89360653474414 15.999 > 1 7 O 0.40761319680760 0.53089835703703 0.89360653474414 15.999 > 1 8 O 0.90761319680760 0.53089835703703 0.89360653474414 15.999 > 1 9 O 0.09238680319240 0.03089835703703 0.35639346525586 15.999 > 2 10 O 0.59238680319240 0.03089835703703 0.35639346525586 15.999 > 2 11 O 0.09238680319240 0.53089835703703 0.35639346525586 15.999 > 2 12 O 0.59238680319240 0.53089835703703 0.35639346525586 15.999 > 2 13 O 0.09238680319240 0.03089835703703 0.85639346525586 15.999 > 2 14 O 0.59238680319240 0.03089835703703 0.85639346525586 15.999 > 2 15 O 0.09238680319240 0.53089835703703 0.85639346525586 15.999 > 2 16 O 0.59238680319240 0.53089835703703 0.85639346525586 15.999 > 2 17 O 0.40761319680760 0.46910164296297 0.14360653474414 15.999 > 3 18 O 0.90761319680760 0.46910164296297 0.14360653474414 15.999 > 3 19 O 0.40761319680760 0.96910164296297 0.14360653474414 15.999 > 3 20 O 0.90761319680760 0.96910164296297 0.14360653474414 15.999 > 3 21 O 0.40761319680760 0.46910164296297 0.64360653474414 15.999 > 3 22 O 0.90761319680760 0.46910164296297 0.64360653474414 15.999 > 3 23 O 0.40761319680760 0.96910164296297 0.64360653474414 15.999 > 3 24 O 0.90761319680760 0.96910164296297 0.64360653474414 15.999 > 3 25 O 0.09238680319240 0.46910164296297 0.10639346525586 15.999 > 4 26 O 0.59238680319240 0.46910164296297 0.10639346525586 15.999 > 4 27 O 0.09238680319240 0.96910164296297 0.10639346525586 15.999 > 4 28 O 0.59238680319240 0.96910164296297 0.10639346525586 15.999 > 4 29 O 0.09238680319240 0.46910164296297 0.60639346525586 15.999 > 4 30 O 0.59238680319240 0.46910164296297 0.60639346525586 15.999 > 4 31 O 0.09238680319240 0.96910164296297 0.60639346525586 15.999 > 4 32 O 0.59238680319240 0.96910164296297 0.60639346525586 15.999 > 4 33 O 0.15761319680760 0.28089835703703 0.39360653474414 15.999 > 1 34 O 0.65761319680760 0.28089835703703 0.39360653474414 15.999 > 1 35 O 0.15761319680760 0.78089835703703 0.39360653474414 15.999 > 1 36 O 0.65761319680760 0.78089835703703 0.39360653474414 15.999 > 1 37 O 0.15761319680760 0.28089835703703 0.89360653474414 15.999 > 1 38 O 0.65761319680760 0.28089835703703 0.89360653474414 15.999 > 1 39 O 0.15761319680760 0.78089835703703 0.89360653474414 15.999 > 1 40 O 0.65761319680760 0.78089835703703 0.89360653474414 15.999 > 1 41 O 0.34238680319240 0.28089835703703 0.35639346525586 15.999 > 2 42 O 0.84238680319240 0.28089835703703 0.35639346525586 15.999 > 2 43 O 0.34238680319240 0.78089835703703 0.35639346525586 15.999 > 2 44 O 0.84238680319240 0.78089835703703 0.35639346525586 15.999 > 2 45 O 0.34238680319240 0.28089835703703 0.85639346525586 15.999 > 2 46 O 0.84238680319240 0.28089835703703 0.85639346525586 15.999 > 2 47 O 0.34238680319240 0.78089835703703 0.85639346525586 15.999 > 2 48 O 0.84238680319240 0.78089835703703 0.85639346525586 15.999 > 2 49 O 0.15761319680760 0.21910164296297 0.14360653474414 15.999 > 3 50 O 0.65761319680760 0.21910164296297 0.14360653474414 15.999 > 3 51 O 0.15761319680760 0.71910164296297 0.14360653474414 15.999 > 3 52 O 0.65761319680760 0.71910164296297 0.14360653474414 15.999 > 3 53 O 0.15761319680760 0.21910164296297 0.64360653474414 15.999 > 3 54 O 0.65761319680760 0.21910164296297 0.64360653474414 15.999 > 3 55 O 0.15761319680760 0.71910164296297 0.64360653474414 15.999 > 3 56 O 0.65761319680760 0.71910164296297 0.64360653474414 15.999 > 3 57 O 0.34238680319240 0.21910164296297 0.10639346525586 15.999 > 4 58 O 0.84238680319240 0.21910164296297 0.10639346525586 15.999 > 4 59 O 0.34238680319240 0.71910164296297 0.10639346525586 15.999 > 4 60 O 0.84238680319240 0.71910164296297 0.10639346525586 15.999 > 4 61 O 0.34238680319240 0.21910164296297 0.60639346525586 15.999 > 4 62 O 0.84238680319240 0.21910164296297 0.60639346525586 15.999 > 4 63 O 0.34238680319240 0.71910164296297 0.60639346525586 15.999 > 4 64 O 0.84238680319240 0.71910164296297 0.60639346525586 15.999 > 4 *65 Rb 0.25000000000000 0.06747949442256 0.12500000000000 85.468 > 5 66 Rb 0.75000000000000 0.06747949442256 0.12500000000000 85.468 > 5 67 Rb 0.25000000000000 0.56747949442256 0.12500000000000 85.468 > 5 68 Rb 0.75000000000000 0.56747949442256 0.12500000000000 85.468 > 5 69 Rb 0.25000000000000 0.06747949442256 0.62500000000000 85.468 > 5 70 Rb 0.75000000000000 0.06747949442256 0.62500000000000 85.468 > 5 71 Rb 0.25000000000000 0.56747949442256 0.62500000000000 85.468 > 5 72 Rb 0.75000000000000 0.56747949442256 0.62500000000000 85.468 > 5 73 Rb 0.25000000000000 0.43252050557744 0.37500000000000 85.468 > 6 74 Rb 0.75000000000000 0.43252050557744 0.37500000000000 85.468 > 6 75 Rb 0.25000000000000 0.93252050557744 0.37500000000000 85.468 > 6 76 Rb 0.75000000000000 0.93252050557744 0.37500000000000 85.468 > 6 77 Rb 0.25000000000000 0.43252050557744 0.87500000000000 85.468 > 6 78 Rb 0.75000000000000 0.43252050557744 0.87500000000000 85.468 > 6 79 Rb 0.25000000000000 0.93252050557744 0.87500000000000 85.468 > 6 80 Rb 0.75000000000000 0.93252050557744 0.87500000000000 85.468 > 6 81 Rb 0.00000000000000 0.31747949442256 0.12500000000000 85.468 > 5 82 Rb 0.50000000000000 0.31747949442256 0.12500000000000 85.468 > 5 83 Rb 0.00000000000000 0.81747949442256 0.12500000000000 85.468 > 5 84 Rb 0.50000000000000 0.81747949442256 0.12500000000000 85.468 > 5 85 Rb 0.00000000000000 0.31747949442256 0.62500000000000 85.468 > 5 86 Rb 0.50000000000000 0.31747949442256 0.62500000000000 85.468 > 5 87 Rb 0.00000000000000 0.81747949442256 0.62500000000000 85.468 > 5 88 Rb 0.50000000000000 0.81747949442256 0.62500000000000 85.468 > 5 89 Rb 0.00000000000000 0.18252050557744 0.37500000000000 85.468 > 6 90 Rb 0.50000000000000 0.18252050557744 0.37500000000000 85.468 > 6 91 Rb 0.00000000000000 0.68252050557744 0.37500000000000 85.468 > 6 92 Rb 0.50000000000000 0.68252050557744 0.37500000000000 85.468 > 6 93 Rb 0.00000000000000 0.18252050557744 0.87500000000000 85.468 > 6 94 Rb 0.50000000000000 0.18252050557744 0.87500000000000 85.468 > 6 95 Rb 0.00000000000000 0.68252050557744 0.87500000000000 85.468 > 6 96 Rb 0.50000000000000 0.68252050557744 0.87500000000000 85.468 > 6 *97 Bi 0.25000000000000 0.20152404681070 0.37500000000000 208.980 > 7 98 Bi 0.75000000000000 0.20152404681070 0.37500000000000 208.980 > 7 99 Bi 0.25000000000000 0.70152404681070 0.37500000000000 208.980 > 7 100 Bi 0.75000000000000 0.70152404681070 0.37500000000000 208.980 > 7 101 Bi 0.25000000000000 0.20152404681070 0.87500000000000 208.980 > 7 102 Bi 0.75000000000000 0.20152404681070 0.87500000000000 208.980 > 7 103 Bi 0.25000000000000 0.70152404681070 0.87500000000000 208.980 > 7 104 Bi 0.75000000000000 0.70152404681070 0.87500000000000 208.980 > 7 105 Bi 0.25000000000000 0.29847595318930 0.12500000000000 208.980 > 8 106 Bi 0.75000000000000 0.29847595318930 0.12500000000000 208.980 > 8 107 Bi 0.25000000000000 0.79847595318930 0.12500000000000 208.980 > 8 108 Bi 0.75000000000000 0.79847595318930 0.12500000000000 208.980 > 8 109 Bi 0.25000000000000 0.29847595318930 0.62500000000000 208.980 > 8 110 Bi 0.75000000000000 0.29847595318930 0.62500000000000 208.980 > 8 111 Bi 0.25000000000000 0.79847595318930 0.62500000000000 208.980 > 8 112 Bi 0.75000000000000 0.79847595318930 0.62500000000000 208.980 > 8 113 Bi 0.00000000000000 0.45152404681070 0.37500000000000 208.980 > 7 114 Bi 0.50000000000000 0.45152404681070 0.37500000000000 208.980 > 7 115 Bi 0.00000000000000 0.95152404681070 0.37500000000000 208.980 > 7 116 Bi 0.50000000000000 0.95152404681070 0.37500000000000 208.980 > 7 117 Bi 0.00000000000000 0.45152404681070 0.87500000000000 208.980 > 7 118 Bi 0.50000000000000 0.45152404681070 0.87500000000000 208.980 > 7 119 Bi 0.00000000000000 0.95152404681070 0.87500000000000 208.980 > 7 120 Bi 0.50000000000000 0.95152404681070 0.87500000000000 208.980 > 7 121 Bi 0.00000000000000 0.04847595318930 0.12500000000000 208.980 > 8 122 Bi 0.50000000000000 0.04847595318930 0.12500000000000 208.980 > 8 123 Bi 0.00000000000000 0.54847595318930 0.12500000000000 208.980 > 8 124 Bi 0.50000000000000 0.54847595318930 0.12500000000000 208.980 > 8 125 Bi 0.00000000000000 0.04847595318930 0.62500000000000 208.980 > 8 126 Bi 0.50000000000000 0.04847595318930 0.62500000000000 208.980 > 8 127 Bi 0.00000000000000 0.54847595318930 0.62500000000000 208.980 > 8 128 Bi 0.50000000000000 0.54847595318930 0.62500000000000 208.980 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9864927 0.0000000 -0.6408481 0.0000000 3.6309206 0.0000000 -0.6408491 0.0000000 4.6065717 -------------------------- Born effective charges -------------------------- 1 O -2.0639911 0.9707275 0.5954160 0.4660371 -1.5357995 -0.1105047 0.6283560 -0.7499701 -2.7314900 2 O -2.0639911 -0.9707275 0.5954160 -0.4660371 -1.5357995 0.1105047 0.6283560 0.7499701 -2.7314900 3 O -2.0639911 -0.9707275 0.5954160 -0.4660371 -1.5357995 0.1105047 0.6283560 0.7499701 -2.7314900 4 O -2.0639911 0.9707275 0.5954160 0.4660371 -1.5357995 -0.1105047 0.6283560 -0.7499701 -2.7314900 5 Rb 1.3066791 0.0000000 0.1919003 0.0000000 1.2732093 0.0000000 0.1841180 0.0000000 1.3009941 6 Rb 1.3066791 0.0000000 0.1919003 0.0000000 1.2732093 0.0000000 0.1841180 0.0000000 1.3009941 7 Bi 2.8213030 0.0000000 -1.3827323 0.0000000 1.7983897 0.0000000 -1.4408299 0.0000000 4.1619858 8 Bi 2.8213030 0.0000000 -1.3827323 0.0000000 1.7983897 0.0000000 -1.4408299 0.0000000 4.1619858 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.970 Solver_block: 200 / 240 - Time: 1.869 Solver_block: 240 / 240 - Time: 0.864 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.922 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 08:13:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:13:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.031050745019010 -4.234580890000000 0.000000000000000 b 4.031050745019010 4.234580890000000 0.000000000000000 c -3.338275701240771 0.000000000000000 4.991201112400844 Atomic positions (fractional): 1 O 0.75342967954114 0.87702310768926 0.78721306948828 15.999 2 O 0.12297689231074 0.24657032045886 0.71278693051172 15.999 3 O 0.87702310768926 0.75342967954114 0.28721306948828 15.999 4 O 0.24657032045886 0.12297689231074 0.21278693051172 15.999 5 Rb 0.36504101115489 0.63495898884511 0.25000000000000 85.468 6 Rb 0.63495898884511 0.36504101115489 0.75000000000000 85.468 7 Bi 0.09695190637859 0.90304809362141 0.75000000000000 208.980 8 Bi 0.90304809362141 0.09695190637859 0.25000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.124202980076038 0.000000000000000 0.000000000000000 b 0.000000000000000 16.938323560000001 0.000000000000000 c -6.676551402481542 0.000000000000000 9.982402224801689 Atomic positions (fractional): 1 O 0.40761319680760 0.03089835703703 0.39360653474414 15.999 > 1 2 O 0.90761319680760 0.03089835703703 0.39360653474414 15.999 > 1 3 O 0.40761319680760 0.53089835703703 0.39360653474414 15.999 > 1 4 O 0.90761319680760 0.53089835703703 0.39360653474414 15.999 > 1 5 O 0.40761319680760 0.03089835703703 0.89360653474414 15.999 > 1 6 O 0.90761319680760 0.03089835703703 0.89360653474414 15.999 > 1 7 O 0.40761319680760 0.53089835703703 0.89360653474414 15.999 > 1 8 O 0.90761319680760 0.53089835703703 0.89360653474414 15.999 > 1 9 O 0.09238680319240 0.03089835703703 0.35639346525586 15.999 > 9 10 O 0.59238680319240 0.03089835703703 0.35639346525586 15.999 > 9 11 O 0.09238680319240 0.53089835703703 0.35639346525586 15.999 > 9 12 O 0.59238680319240 0.53089835703703 0.35639346525586 15.999 > 9 13 O 0.09238680319240 0.03089835703703 0.85639346525586 15.999 > 9 14 O 0.59238680319240 0.03089835703703 0.85639346525586 15.999 > 9 15 O 0.09238680319240 0.53089835703703 0.85639346525586 15.999 > 9 16 O 0.59238680319240 0.53089835703703 0.85639346525586 15.999 > 9 17 O 0.40761319680760 0.46910164296297 0.14360653474414 15.999 > 17 18 O 0.90761319680760 0.46910164296297 0.14360653474414 15.999 > 17 19 O 0.40761319680760 0.96910164296297 0.14360653474414 15.999 > 17 20 O 0.90761319680760 0.96910164296297 0.14360653474414 15.999 > 17 21 O 0.40761319680760 0.46910164296297 0.64360653474414 15.999 > 17 22 O 0.90761319680760 0.46910164296297 0.64360653474414 15.999 > 17 23 O 0.40761319680760 0.96910164296297 0.64360653474414 15.999 > 17 24 O 0.90761319680760 0.96910164296297 0.64360653474414 15.999 > 17 25 O 0.09238680319240 0.46910164296297 0.10639346525586 15.999 > 25 26 O 0.59238680319240 0.46910164296297 0.10639346525586 15.999 > 25 27 O 0.09238680319240 0.96910164296297 0.10639346525586 15.999 > 25 28 O 0.59238680319240 0.96910164296297 0.10639346525586 15.999 > 25 29 O 0.09238680319240 0.46910164296297 0.60639346525586 15.999 > 25 30 O 0.59238680319240 0.46910164296297 0.60639346525586 15.999 > 25 31 O 0.09238680319240 0.96910164296297 0.60639346525586 15.999 > 25 32 O 0.59238680319240 0.96910164296297 0.60639346525586 15.999 > 25 33 O 0.15761319680760 0.28089835703703 0.39360653474414 15.999 > 1 34 O 0.65761319680760 0.28089835703703 0.39360653474414 15.999 > 1 35 O 0.15761319680760 0.78089835703703 0.39360653474414 15.999 > 1 36 O 0.65761319680760 0.78089835703703 0.39360653474414 15.999 > 1 37 O 0.15761319680760 0.28089835703703 0.89360653474414 15.999 > 1 38 O 0.65761319680760 0.28089835703703 0.89360653474414 15.999 > 1 39 O 0.15761319680760 0.78089835703703 0.89360653474414 15.999 > 1 40 O 0.65761319680760 0.78089835703703 0.89360653474414 15.999 > 1 41 O 0.34238680319240 0.28089835703703 0.35639346525586 15.999 > 9 42 O 0.84238680319240 0.28089835703703 0.35639346525586 15.999 > 9 43 O 0.34238680319240 0.78089835703703 0.35639346525586 15.999 > 9 44 O 0.84238680319240 0.78089835703703 0.35639346525586 15.999 > 9 45 O 0.34238680319240 0.28089835703703 0.85639346525586 15.999 > 9 46 O 0.84238680319240 0.28089835703703 0.85639346525586 15.999 > 9 47 O 0.34238680319240 0.78089835703703 0.85639346525586 15.999 > 9 48 O 0.84238680319240 0.78089835703703 0.85639346525586 15.999 > 9 49 O 0.15761319680760 0.21910164296297 0.14360653474414 15.999 > 17 50 O 0.65761319680760 0.21910164296297 0.14360653474414 15.999 > 17 51 O 0.15761319680760 0.71910164296297 0.14360653474414 15.999 > 17 52 O 0.65761319680760 0.71910164296297 0.14360653474414 15.999 > 17 53 O 0.15761319680760 0.21910164296297 0.64360653474414 15.999 > 17 54 O 0.65761319680760 0.21910164296297 0.64360653474414 15.999 > 17 55 O 0.15761319680760 0.71910164296297 0.64360653474414 15.999 > 17 56 O 0.65761319680760 0.71910164296297 0.64360653474414 15.999 > 17 57 O 0.34238680319240 0.21910164296297 0.10639346525586 15.999 > 25 58 O 0.84238680319240 0.21910164296297 0.10639346525586 15.999 > 25 59 O 0.34238680319240 0.71910164296297 0.10639346525586 15.999 > 25 60 O 0.84238680319240 0.71910164296297 0.10639346525586 15.999 > 25 61 O 0.34238680319240 0.21910164296297 0.60639346525586 15.999 > 25 62 O 0.84238680319240 0.21910164296297 0.60639346525586 15.999 > 25 63 O 0.34238680319240 0.71910164296297 0.60639346525586 15.999 > 25 64 O 0.84238680319240 0.71910164296297 0.60639346525586 15.999 > 25 65 Rb 0.25000000000000 0.06747949442256 0.12500000000000 85.468 > 65 66 Rb 0.75000000000000 0.06747949442256 0.12500000000000 85.468 > 65 67 Rb 0.25000000000000 0.56747949442256 0.12500000000000 85.468 > 65 68 Rb 0.75000000000000 0.56747949442256 0.12500000000000 85.468 > 65 69 Rb 0.25000000000000 0.06747949442256 0.62500000000000 85.468 > 65 70 Rb 0.75000000000000 0.06747949442256 0.62500000000000 85.468 > 65 71 Rb 0.25000000000000 0.56747949442256 0.62500000000000 85.468 > 65 72 Rb 0.75000000000000 0.56747949442256 0.62500000000000 85.468 > 65 73 Rb 0.25000000000000 0.43252050557744 0.37500000000000 85.468 > 73 74 Rb 0.75000000000000 0.43252050557744 0.37500000000000 85.468 > 73 75 Rb 0.25000000000000 0.93252050557744 0.37500000000000 85.468 > 73 76 Rb 0.75000000000000 0.93252050557744 0.37500000000000 85.468 > 73 77 Rb 0.25000000000000 0.43252050557744 0.87500000000000 85.468 > 73 78 Rb 0.75000000000000 0.43252050557744 0.87500000000000 85.468 > 73 79 Rb 0.25000000000000 0.93252050557744 0.87500000000000 85.468 > 73 80 Rb 0.75000000000000 0.93252050557744 0.87500000000000 85.468 > 73 81 Rb 0.00000000000000 0.31747949442256 0.12500000000000 85.468 > 65 82 Rb 0.50000000000000 0.31747949442256 0.12500000000000 85.468 > 65 83 Rb 0.00000000000000 0.81747949442256 0.12500000000000 85.468 > 65 84 Rb 0.50000000000000 0.81747949442256 0.12500000000000 85.468 > 65 85 Rb 0.00000000000000 0.31747949442256 0.62500000000000 85.468 > 65 86 Rb 0.50000000000000 0.31747949442256 0.62500000000000 85.468 > 65 87 Rb 0.00000000000000 0.81747949442256 0.62500000000000 85.468 > 65 88 Rb 0.50000000000000 0.81747949442256 0.62500000000000 85.468 > 65 89 Rb 0.00000000000000 0.18252050557744 0.37500000000000 85.468 > 73 90 Rb 0.50000000000000 0.18252050557744 0.37500000000000 85.468 > 73 91 Rb 0.00000000000000 0.68252050557744 0.37500000000000 85.468 > 73 92 Rb 0.50000000000000 0.68252050557744 0.37500000000000 85.468 > 73 93 Rb 0.00000000000000 0.18252050557744 0.87500000000000 85.468 > 73 94 Rb 0.50000000000000 0.18252050557744 0.87500000000000 85.468 > 73 95 Rb 0.00000000000000 0.68252050557744 0.87500000000000 85.468 > 73 96 Rb 0.50000000000000 0.68252050557744 0.87500000000000 85.468 > 73 97 Bi 0.25000000000000 0.20152404681070 0.37500000000000 208.980 > 97 98 Bi 0.75000000000000 0.20152404681070 0.37500000000000 208.980 > 97 99 Bi 0.25000000000000 0.70152404681070 0.37500000000000 208.980 > 97 100 Bi 0.75000000000000 0.70152404681070 0.37500000000000 208.980 > 97 101 Bi 0.25000000000000 0.20152404681070 0.87500000000000 208.980 > 97 102 Bi 0.75000000000000 0.20152404681070 0.87500000000000 208.980 > 97 103 Bi 0.25000000000000 0.70152404681070 0.87500000000000 208.980 > 97 104 Bi 0.75000000000000 0.70152404681070 0.87500000000000 208.980 > 97 105 Bi 0.25000000000000 0.29847595318930 0.12500000000000 208.980 > 105 106 Bi 0.75000000000000 0.29847595318930 0.12500000000000 208.980 > 105 107 Bi 0.25000000000000 0.79847595318930 0.12500000000000 208.980 > 105 108 Bi 0.75000000000000 0.79847595318930 0.12500000000000 208.980 > 105 109 Bi 0.25000000000000 0.29847595318930 0.62500000000000 208.980 > 105 110 Bi 0.75000000000000 0.29847595318930 0.62500000000000 208.980 > 105 111 Bi 0.25000000000000 0.79847595318930 0.62500000000000 208.980 > 105 112 Bi 0.75000000000000 0.79847595318930 0.62500000000000 208.980 > 105 113 Bi 0.00000000000000 0.45152404681070 0.37500000000000 208.980 > 97 114 Bi 0.50000000000000 0.45152404681070 0.37500000000000 208.980 > 97 115 Bi 0.00000000000000 0.95152404681070 0.37500000000000 208.980 > 97 116 Bi 0.50000000000000 0.95152404681070 0.37500000000000 208.980 > 97 117 Bi 0.00000000000000 0.45152404681070 0.87500000000000 208.980 > 97 118 Bi 0.50000000000000 0.45152404681070 0.87500000000000 208.980 > 97 119 Bi 0.00000000000000 0.95152404681070 0.87500000000000 208.980 > 97 120 Bi 0.50000000000000 0.95152404681070 0.87500000000000 208.980 > 97 121 Bi 0.00000000000000 0.04847595318930 0.12500000000000 208.980 > 105 122 Bi 0.50000000000000 0.04847595318930 0.12500000000000 208.980 > 105 123 Bi 0.00000000000000 0.54847595318930 0.12500000000000 208.980 > 105 124 Bi 0.50000000000000 0.54847595318930 0.12500000000000 208.980 > 105 125 Bi 0.00000000000000 0.04847595318930 0.62500000000000 208.980 > 105 126 Bi 0.50000000000000 0.04847595318930 0.62500000000000 208.980 > 105 127 Bi 0.00000000000000 0.54847595318930 0.62500000000000 208.980 > 105 128 Bi 0.50000000000000 0.54847595318930 0.62500000000000 208.980 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9864927 0.0000000 -0.6408481 0.0000000 3.6309206 0.0000000 -0.6408491 0.0000000 4.6065717 -------------------------- Born effective charges -------------------------- 1 O -2.0639911 0.9707275 0.5954160 0.4660371 -1.5357995 -0.1105047 0.6283560 -0.7499701 -2.7314900 2 O -2.0639911 -0.9707275 0.5954160 -0.4660371 -1.5357995 0.1105047 0.6283560 0.7499701 -2.7314900 3 O -2.0639911 -0.9707275 0.5954160 -0.4660371 -1.5357995 0.1105047 0.6283560 0.7499701 -2.7314900 4 O -2.0639911 0.9707275 0.5954160 0.4660371 -1.5357995 -0.1105047 0.6283560 -0.7499701 -2.7314900 5 Rb 1.3066791 0.0000000 0.1919003 0.0000000 1.2732093 0.0000000 0.1841180 0.0000000 1.3009941 6 Rb 1.3066791 0.0000000 0.1919003 0.0000000 1.2732093 0.0000000 0.1841180 0.0000000 1.3009941 7 Bi 2.8213030 0.0000000 -1.3827323 0.0000000 1.7983897 0.0000000 -1.4408299 0.0000000 4.1619858 8 Bi 2.8213030 0.0000000 -1.3827323 0.0000000 1.7983897 0.0000000 -1.4408299 0.0000000 4.1619858 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (xyx) -0.00000009 (xyx) -0.00000009 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:13:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:13:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.031050745019010 -4.234580890000000 0.000000000000000 b 4.031050745019010 4.234580890000000 0.000000000000000 c -3.338275701240771 0.000000000000000 4.991201112400844 Atomic positions (fractional): 1 O 0.75342967954114 0.87702310768926 0.78721306948828 15.999 2 O 0.12297689231074 0.24657032045886 0.71278693051172 15.999 3 O 0.87702310768926 0.75342967954114 0.28721306948828 15.999 4 O 0.24657032045886 0.12297689231074 0.21278693051172 15.999 5 Rb 0.36504101115489 0.63495898884511 0.25000000000000 85.468 6 Rb 0.63495898884511 0.36504101115489 0.75000000000000 85.468 7 Bi 0.09695190637859 0.90304809362141 0.75000000000000 208.980 8 Bi 0.90304809362141 0.09695190637859 0.25000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.124202980076038 0.000000000000000 0.000000000000000 b 0.000000000000000 16.938323560000001 0.000000000000000 c -6.676551402481542 0.000000000000000 9.982402224801689 Atomic positions (fractional): 1 O 0.40761319680760 0.03089835703703 0.39360653474414 15.999 > 1 2 O 0.90761319680760 0.03089835703703 0.39360653474414 15.999 > 1 3 O 0.40761319680760 0.53089835703703 0.39360653474414 15.999 > 1 4 O 0.90761319680760 0.53089835703703 0.39360653474414 15.999 > 1 5 O 0.40761319680760 0.03089835703703 0.89360653474414 15.999 > 1 6 O 0.90761319680760 0.03089835703703 0.89360653474414 15.999 > 1 7 O 0.40761319680760 0.53089835703703 0.89360653474414 15.999 > 1 8 O 0.90761319680760 0.53089835703703 0.89360653474414 15.999 > 1 9 O 0.09238680319240 0.03089835703703 0.35639346525586 15.999 > 9 10 O 0.59238680319240 0.03089835703703 0.35639346525586 15.999 > 9 11 O 0.09238680319240 0.53089835703703 0.35639346525586 15.999 > 9 12 O 0.59238680319240 0.53089835703703 0.35639346525586 15.999 > 9 13 O 0.09238680319240 0.03089835703703 0.85639346525586 15.999 > 9 14 O 0.59238680319240 0.03089835703703 0.85639346525586 15.999 > 9 15 O 0.09238680319240 0.53089835703703 0.85639346525586 15.999 > 9 16 O 0.59238680319240 0.53089835703703 0.85639346525586 15.999 > 9 17 O 0.40761319680760 0.46910164296297 0.14360653474414 15.999 > 17 18 O 0.90761319680760 0.46910164296297 0.14360653474414 15.999 > 17 19 O 0.40761319680760 0.96910164296297 0.14360653474414 15.999 > 17 20 O 0.90761319680760 0.96910164296297 0.14360653474414 15.999 > 17 21 O 0.40761319680760 0.46910164296297 0.64360653474414 15.999 > 17 22 O 0.90761319680760 0.46910164296297 0.64360653474414 15.999 > 17 23 O 0.40761319680760 0.96910164296297 0.64360653474414 15.999 > 17 24 O 0.90761319680760 0.96910164296297 0.64360653474414 15.999 > 17 25 O 0.09238680319240 0.46910164296297 0.10639346525586 15.999 > 25 26 O 0.59238680319240 0.46910164296297 0.10639346525586 15.999 > 25 27 O 0.09238680319240 0.96910164296297 0.10639346525586 15.999 > 25 28 O 0.59238680319240 0.96910164296297 0.10639346525586 15.999 > 25 29 O 0.09238680319240 0.46910164296297 0.60639346525586 15.999 > 25 30 O 0.59238680319240 0.46910164296297 0.60639346525586 15.999 > 25 31 O 0.09238680319240 0.96910164296297 0.60639346525586 15.999 > 25 32 O 0.59238680319240 0.96910164296297 0.60639346525586 15.999 > 25 33 O 0.15761319680760 0.28089835703703 0.39360653474414 15.999 > 1 34 O 0.65761319680760 0.28089835703703 0.39360653474414 15.999 > 1 35 O 0.15761319680760 0.78089835703703 0.39360653474414 15.999 > 1 36 O 0.65761319680760 0.78089835703703 0.39360653474414 15.999 > 1 37 O 0.15761319680760 0.28089835703703 0.89360653474414 15.999 > 1 38 O 0.65761319680760 0.28089835703703 0.89360653474414 15.999 > 1 39 O 0.15761319680760 0.78089835703703 0.89360653474414 15.999 > 1 40 O 0.65761319680760 0.78089835703703 0.89360653474414 15.999 > 1 41 O 0.34238680319240 0.28089835703703 0.35639346525586 15.999 > 9 42 O 0.84238680319240 0.28089835703703 0.35639346525586 15.999 > 9 43 O 0.34238680319240 0.78089835703703 0.35639346525586 15.999 > 9 44 O 0.84238680319240 0.78089835703703 0.35639346525586 15.999 > 9 45 O 0.34238680319240 0.28089835703703 0.85639346525586 15.999 > 9 46 O 0.84238680319240 0.28089835703703 0.85639346525586 15.999 > 9 47 O 0.34238680319240 0.78089835703703 0.85639346525586 15.999 > 9 48 O 0.84238680319240 0.78089835703703 0.85639346525586 15.999 > 9 49 O 0.15761319680760 0.21910164296297 0.14360653474414 15.999 > 17 50 O 0.65761319680760 0.21910164296297 0.14360653474414 15.999 > 17 51 O 0.15761319680760 0.71910164296297 0.14360653474414 15.999 > 17 52 O 0.65761319680760 0.71910164296297 0.14360653474414 15.999 > 17 53 O 0.15761319680760 0.21910164296297 0.64360653474414 15.999 > 17 54 O 0.65761319680760 0.21910164296297 0.64360653474414 15.999 > 17 55 O 0.15761319680760 0.71910164296297 0.64360653474414 15.999 > 17 56 O 0.65761319680760 0.71910164296297 0.64360653474414 15.999 > 17 57 O 0.34238680319240 0.21910164296297 0.10639346525586 15.999 > 25 58 O 0.84238680319240 0.21910164296297 0.10639346525586 15.999 > 25 59 O 0.34238680319240 0.71910164296297 0.10639346525586 15.999 > 25 60 O 0.84238680319240 0.71910164296297 0.10639346525586 15.999 > 25 61 O 0.34238680319240 0.21910164296297 0.60639346525586 15.999 > 25 62 O 0.84238680319240 0.21910164296297 0.60639346525586 15.999 > 25 63 O 0.34238680319240 0.71910164296297 0.60639346525586 15.999 > 25 64 O 0.84238680319240 0.71910164296297 0.60639346525586 15.999 > 25 65 Rb 0.25000000000000 0.06747949442256 0.12500000000000 85.468 > 65 66 Rb 0.75000000000000 0.06747949442256 0.12500000000000 85.468 > 65 67 Rb 0.25000000000000 0.56747949442256 0.12500000000000 85.468 > 65 68 Rb 0.75000000000000 0.56747949442256 0.12500000000000 85.468 > 65 69 Rb 0.25000000000000 0.06747949442256 0.62500000000000 85.468 > 65 70 Rb 0.75000000000000 0.06747949442256 0.62500000000000 85.468 > 65 71 Rb 0.25000000000000 0.56747949442256 0.62500000000000 85.468 > 65 72 Rb 0.75000000000000 0.56747949442256 0.62500000000000 85.468 > 65 73 Rb 0.25000000000000 0.43252050557744 0.37500000000000 85.468 > 73 74 Rb 0.75000000000000 0.43252050557744 0.37500000000000 85.468 > 73 75 Rb 0.25000000000000 0.93252050557744 0.37500000000000 85.468 > 73 76 Rb 0.75000000000000 0.93252050557744 0.37500000000000 85.468 > 73 77 Rb 0.25000000000000 0.43252050557744 0.87500000000000 85.468 > 73 78 Rb 0.75000000000000 0.43252050557744 0.87500000000000 85.468 > 73 79 Rb 0.25000000000000 0.93252050557744 0.87500000000000 85.468 > 73 80 Rb 0.75000000000000 0.93252050557744 0.87500000000000 85.468 > 73 81 Rb 0.00000000000000 0.31747949442256 0.12500000000000 85.468 > 65 82 Rb 0.50000000000000 0.31747949442256 0.12500000000000 85.468 > 65 83 Rb 0.00000000000000 0.81747949442256 0.12500000000000 85.468 > 65 84 Rb 0.50000000000000 0.81747949442256 0.12500000000000 85.468 > 65 85 Rb 0.00000000000000 0.31747949442256 0.62500000000000 85.468 > 65 86 Rb 0.50000000000000 0.31747949442256 0.62500000000000 85.468 > 65 87 Rb 0.00000000000000 0.81747949442256 0.62500000000000 85.468 > 65 88 Rb 0.50000000000000 0.81747949442256 0.62500000000000 85.468 > 65 89 Rb 0.00000000000000 0.18252050557744 0.37500000000000 85.468 > 73 90 Rb 0.50000000000000 0.18252050557744 0.37500000000000 85.468 > 73 91 Rb 0.00000000000000 0.68252050557744 0.37500000000000 85.468 > 73 92 Rb 0.50000000000000 0.68252050557744 0.37500000000000 85.468 > 73 93 Rb 0.00000000000000 0.18252050557744 0.87500000000000 85.468 > 73 94 Rb 0.50000000000000 0.18252050557744 0.87500000000000 85.468 > 73 95 Rb 0.00000000000000 0.68252050557744 0.87500000000000 85.468 > 73 96 Rb 0.50000000000000 0.68252050557744 0.87500000000000 85.468 > 73 97 Bi 0.25000000000000 0.20152404681070 0.37500000000000 208.980 > 97 98 Bi 0.75000000000000 0.20152404681070 0.37500000000000 208.980 > 97 99 Bi 0.25000000000000 0.70152404681070 0.37500000000000 208.980 > 97 100 Bi 0.75000000000000 0.70152404681070 0.37500000000000 208.980 > 97 101 Bi 0.25000000000000 0.20152404681070 0.87500000000000 208.980 > 97 102 Bi 0.75000000000000 0.20152404681070 0.87500000000000 208.980 > 97 103 Bi 0.25000000000000 0.70152404681070 0.87500000000000 208.980 > 97 104 Bi 0.75000000000000 0.70152404681070 0.87500000000000 208.980 > 97 105 Bi 0.25000000000000 0.29847595318930 0.12500000000000 208.980 > 105 106 Bi 0.75000000000000 0.29847595318930 0.12500000000000 208.980 > 105 107 Bi 0.25000000000000 0.79847595318930 0.12500000000000 208.980 > 105 108 Bi 0.75000000000000 0.79847595318930 0.12500000000000 208.980 > 105 109 Bi 0.25000000000000 0.29847595318930 0.62500000000000 208.980 > 105 110 Bi 0.75000000000000 0.29847595318930 0.62500000000000 208.980 > 105 111 Bi 0.25000000000000 0.79847595318930 0.62500000000000 208.980 > 105 112 Bi 0.75000000000000 0.79847595318930 0.62500000000000 208.980 > 105 113 Bi 0.00000000000000 0.45152404681070 0.37500000000000 208.980 > 97 114 Bi 0.50000000000000 0.45152404681070 0.37500000000000 208.980 > 97 115 Bi 0.00000000000000 0.95152404681070 0.37500000000000 208.980 > 97 116 Bi 0.50000000000000 0.95152404681070 0.37500000000000 208.980 > 97 117 Bi 0.00000000000000 0.45152404681070 0.87500000000000 208.980 > 97 118 Bi 0.50000000000000 0.45152404681070 0.87500000000000 208.980 > 97 119 Bi 0.00000000000000 0.95152404681070 0.87500000000000 208.980 > 97 120 Bi 0.50000000000000 0.95152404681070 0.87500000000000 208.980 > 97 121 Bi 0.00000000000000 0.04847595318930 0.12500000000000 208.980 > 105 122 Bi 0.50000000000000 0.04847595318930 0.12500000000000 208.980 > 105 123 Bi 0.00000000000000 0.54847595318930 0.12500000000000 208.980 > 105 124 Bi 0.50000000000000 0.54847595318930 0.12500000000000 208.980 > 105 125 Bi 0.00000000000000 0.04847595318930 0.62500000000000 208.980 > 105 126 Bi 0.50000000000000 0.04847595318930 0.62500000000000 208.980 > 105 127 Bi 0.00000000000000 0.54847595318930 0.62500000000000 208.980 > 105 128 Bi 0.50000000000000 0.54847595318930 0.62500000000000 208.980 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9864927 0.0000000 -0.6408481 0.0000000 3.6309206 0.0000000 -0.6408491 0.0000000 4.6065717 -------------------------- Born effective charges -------------------------- 1 O -2.0639911 0.9707275 0.5954160 0.4660371 -1.5357995 -0.1105047 0.6283560 -0.7499701 -2.7314900 2 O -2.0639911 -0.9707275 0.5954160 -0.4660371 -1.5357995 0.1105047 0.6283560 0.7499701 -2.7314900 3 O -2.0639911 -0.9707275 0.5954160 -0.4660371 -1.5357995 0.1105047 0.6283560 0.7499701 -2.7314900 4 O -2.0639911 0.9707275 0.5954160 0.4660371 -1.5357995 -0.1105047 0.6283560 -0.7499701 -2.7314900 5 Rb 1.3066791 0.0000000 0.1919003 0.0000000 1.2732093 0.0000000 0.1841180 0.0000000 1.3009941 6 Rb 1.3066791 0.0000000 0.1919003 0.0000000 1.2732093 0.0000000 0.1841180 0.0000000 1.3009941 7 Bi 2.8213030 0.0000000 -1.3827323 0.0000000 1.7983897 0.0000000 -1.4408299 0.0000000 4.1619858 8 Bi 2.8213030 0.0000000 -1.3827323 0.0000000 1.7983897 0.0000000 -1.4408299 0.0000000 4.1619858 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xyx) -0.00000009 (xyx) -0.00000009 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 10 10 10 ] 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: 0.75, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/282) ======================= 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 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 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 1.761 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 0.000) 0.000 16.146 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/282) ======================= q-point: ( 0.10 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 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 5.124 -6.376 5.677) 9.957 0.312 ( 10.251 -8.820 8.781) 16.124 0.522 ( 17.533 -7.852 23.676) 30.490 1.751 ( -0.452 0.138 -1.585) 1.654 2.313 ( 0.417 5.589 -1.448) 5.789 2.443 ( 2.232 -3.202 -2.000) 4.386 2.544 ( -3.617 2.290 -0.420) 4.301 2.768 ( -6.596 -12.057 -2.699) 14.005 3.099 ( 0.969 3.804 -0.297) 3.936 3.321 ( 6.016 3.667 -8.403) 10.966 3.641 ( 4.215 -1.002 0.377) 4.349 4.316 ( 0.195 -0.473 -0.122) 0.526 4.635 ( 21.103 2.503 -25.275) 33.021 4.846 ( 3.949 -0.696 -1.924) 4.447 6.101 ( 0.042 -2.080 0.302) 2.102 7.701 ( -41.538 22.102 99.038) 109.647 8.428 ( -53.839 -17.298 59.641) 82.188 10.012 ( 3.647 -0.549 -0.339) 3.704 10.915 ( -6.501 -5.100 -1.320) 8.368 11.560 ( -0.684 0.229 -1.404) 1.578 14.199 ( 26.125 23.694 -12.671) 37.476 14.424 ( 57.682 38.250 -20.853) 72.285 15.454 ( 3.781 -2.288 -2.190) 4.932 16.795 ( -16.755 -42.620 -30.812) 55.196 ======================= Grid point 2 (3/282) ======================= q-point: ( 0.20 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 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 5.444 -7.675 6.600) 11.494 0.601 ( 9.259 -8.139 7.078) 14.216 0.997 ( 15.245 -6.178 20.581) 26.347 1.716 ( -1.522 0.939 -2.562) 3.124 2.232 ( 0.263 6.136 -2.342) 6.573 2.460 ( -3.863 0.730 -0.203) 3.937 2.493 ( 3.782 -0.127 -3.453) 5.123 2.790 ( -5.476 -5.468 0.844) 7.785 3.073 ( 1.549 2.670 0.525) 3.131 3.278 ( -0.368 -0.514 -6.234) 6.266 3.712 ( 4.034 -1.434 0.233) 4.288 4.326 ( 0.383 -0.784 -0.223) 0.901 4.666 ( 11.055 0.171 -11.754) 16.137 4.897 ( 5.536 -0.713 -2.673) 6.189 6.143 ( 0.599 -3.816 0.408) 3.884 7.760 ( -12.520 9.816 40.733) 43.730 8.470 ( -24.880 -8.981 30.454) 40.337 10.078 ( 5.717 -0.775 0.110) 5.770 10.873 ( -4.229 -2.705 -3.546) 6.146 11.532 ( -0.931 0.106 -2.137) 2.333 14.154 ( 18.210 16.211 -7.519) 25.514 14.493 ( 16.782 11.166 -4.671) 20.692 15.535 ( 6.799 -3.887 -3.269) 8.486 16.842 ( -6.729 -19.754 -12.269) 24.208 ======================= Grid point 3 (4/282) ======================= q-point: ( 0.30 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 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 5.226 -8.316 6.846) 11.972 0.845 ( 7.706 -6.682 5.004) 11.361 1.368 ( 10.740 -3.961 14.337) 18.347 1.649 ( -2.670 2.399 -2.285) 4.255 2.141 ( -0.105 5.852 -2.257) 6.273 2.404 ( -2.543 1.960 1.969) 3.766 2.516 ( 4.387 -1.288 -5.710) 7.315 2.787 ( -4.702 -2.384 3.150) 6.141 3.083 ( 1.281 0.088 0.828) 1.528 3.216 ( -2.098 -0.480 -6.263) 6.622 3.772 ( 2.853 -1.309 -0.082) 3.140 4.339 ( 0.468 -0.796 -0.233) 0.952 4.705 ( 7.029 -0.461 -6.751) 9.757 4.947 ( 4.714 -0.267 -2.355) 5.276 6.208 ( 1.260 -4.358 0.292) 4.546 7.824 ( -2.899 5.294 18.742) 19.690 8.522 ( -13.622 -5.343 18.937) 23.931 10.164 ( 5.506 -0.577 1.118) 5.648 10.821 ( -2.914 -1.988 -4.575) 5.777 11.504 ( -0.718 -0.225 -1.981) 2.119 14.141 ( 13.161 11.065 -4.076) 17.671 14.494 ( 2.557 4.440 -1.097) 5.239 15.647 ( 7.211 -4.059 -2.861) 8.755 16.881 ( -3.766 -10.157 -5.639) 12.213 ======================= Grid point 4 (5/282) ======================= q-point: ( 0.40 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 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 3.312 -6.180 4.739) 8.463 1.029 ( 5.617 -4.509 3.327) 7.935 1.528 ( -1.384 0.966 -2.170) 2.749 1.614 ( 2.961 0.490 6.509) 7.168 2.062 ( -0.289 3.991 -1.477) 4.265 2.394 ( 0.015 1.122 3.356) 3.539 2.539 ( 3.251 -1.475 -4.338) 5.618 2.785 ( -2.747 -0.947 2.740) 3.993 3.101 ( -0.935 -0.857 0.534) 1.377 3.144 ( -0.846 0.456 -4.841) 4.935 3.811 ( 1.479 -0.784 -0.164) 1.682 4.350 ( 0.330 -0.492 -0.140) 0.609 4.735 ( 3.575 -0.371 -3.265) 4.856 4.978 ( 2.569 0.016 -1.348) 2.901 6.270 ( 1.101 -2.949 0.113) 3.150 7.868 ( -0.100 2.470 7.244) 7.654 8.566 ( -6.191 -2.535 9.631) 11.726 10.236 ( 3.315 -0.206 1.373) 3.594 10.778 ( -1.509 -1.232 -3.473) 3.982 11.488 ( -0.335 -0.308 -1.153) 1.240 14.148 ( 8.070 6.211 -1.778) 10.338 14.450 ( -2.296 1.517 -0.269) 2.765 15.745 ( 4.551 -2.587 -1.580) 5.468 16.895 ( -2.075 -4.147 -2.264) 5.160 ======================= Grid point 5 (6/282) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 -0.000 0.000) 0.000 1.118 ( 0.000 -0.000 0.000) 0.000 1.476 ( 0.000 -0.000 0.000) 0.000 1.667 ( 0.000 -0.000 0.000) 0.000 2.028 ( 0.000 -0.000 0.000) 0.000 2.408 ( 0.000 -0.000 0.000) 0.000 2.552 ( 0.000 -0.000 0.000) 0.000 2.785 ( 0.000 -0.000 0.000) 0.000 3.085 ( 0.000 -0.000 0.000) 0.000 3.128 ( 0.000 -0.000 0.000) 0.000 3.824 ( 0.000 -0.000 0.000) 0.000 4.355 ( 0.000 -0.000 0.000) 0.000 4.746 ( 0.000 -0.000 0.000) 0.000 4.989 ( 0.000 -0.000 0.000) 0.000 6.296 ( 0.000 -0.000 0.000) 0.000 7.883 ( 0.000 -0.000 0.000) 0.000 8.583 ( 0.000 -0.000 0.000) 0.000 10.265 ( 0.000 -0.000 0.000) 0.000 10.761 ( 0.000 -0.000 -0.000) 0.000 11.483 ( 0.000 -0.000 0.000) 0.000 14.156 ( 0.000 -0.000 0.000) 0.000 14.421 ( 0.000 -0.000 0.000) 0.000 15.783 ( 0.000 -0.000 0.000) 0.000 16.896 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/282) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 6.972 0.000 8.698) 11.147 0.493 ( 11.131 0.000 10.805) 15.513 0.911 ( 18.074 0.000 22.285) 28.692 1.727 ( -0.712 -0.000 -2.758) 2.849 2.353 ( -1.427 -0.000 -0.439) 1.493 2.398 ( 3.907 0.000 -6.182) 7.313 2.548 ( -2.060 -0.000 -1.142) 2.355 2.663 ( -3.047 -0.000 6.295) 6.993 3.125 ( 1.180 0.000 -1.992) 2.315 3.262 ( -2.091 -0.000 -8.994) 9.234 3.695 ( 4.656 0.000 0.116) 4.658 4.316 ( 0.232 0.000 0.220) 0.320 4.677 ( 15.007 0.000 -19.948) 24.962 4.881 ( 5.171 0.000 -1.766) 5.464 6.095 ( 1.002 0.000 -0.188) 1.020 8.121 ( -66.865 -0.000 108.220) 127.210 8.133 ( 1.419 0.000 1.304) 1.927 10.069 ( 7.284 0.000 -1.871) 7.521 10.831 ( -2.785 -0.000 -1.698) 3.262 11.538 ( -2.824 -0.000 0.553) 2.877 14.301 ( 3.517 0.000 0.529) 3.556 15.005 ( 12.757 0.000 -36.075) 38.264 15.576 ( 23.210 0.000 -22.645) 32.427 16.268 ( 5.804 0.000 5.347) 7.891 ======================= Grid point 13 (8/282) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 7.579 -2.368 8.717) 11.791 0.723 ( 9.592 -2.947 8.250) 12.991 1.287 ( 13.471 -2.230 15.788) 20.874 1.687 ( -0.928 0.804 -3.060) 3.298 2.282 ( -0.247 5.493 -2.591) 6.079 2.418 ( 0.834 -2.263 -3.700) 4.416 2.507 ( -0.036 1.581 -0.133) 1.587 2.703 ( -4.186 -3.630 5.997) 8.165 3.101 ( 0.329 1.606 -2.565) 3.044 3.179 ( -2.958 -2.377 -6.749) 7.743 3.752 ( 3.924 -0.431 -0.064) 3.949 4.325 ( 0.387 -0.324 0.574) 0.764 4.700 ( 8.855 0.003 -10.012) 13.366 4.936 ( 5.555 -0.501 -2.566) 6.139 6.125 ( 2.170 -2.081 -0.345) 3.026 8.033 ( -10.186 11.873 26.991) 31.196 8.326 ( -17.886 -11.230 29.004) 35.878 10.151 ( 9.362 -0.340 -4.258) 10.291 10.788 ( -4.055 -0.777 0.264) 4.137 11.504 ( -3.473 0.127 1.379) 3.738 14.339 ( 5.597 3.336 -0.437) 6.531 14.761 ( 5.002 14.035 -17.348) 22.869 15.635 ( 16.719 4.008 -10.718) 20.260 16.527 ( 4.398 -16.895 0.512) 17.466 ======================= Grid point 14 (9/282) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 7.489 -3.575 7.664) 11.296 0.927 ( 7.748 -3.594 5.244) 10.022 1.519 ( 5.066 -1.218 4.398) 6.818 1.643 ( -0.376 1.476 -0.472) 1.595 2.188 ( -0.459 5.887 -2.685) 6.487 2.410 ( -0.600 -0.387 -1.123) 1.331 2.520 ( 2.937 0.398 1.078) 3.154 2.736 ( -4.008 -2.878 5.130) 7.118 3.070 ( -1.673 -1.227 -2.418) 3.186 3.124 ( -1.416 -1.896 -5.669) 6.143 3.798 ( 2.972 -0.288 -0.128) 2.988 4.341 ( 0.366 -0.306 1.020) 1.126 4.727 ( 4.718 -0.245 -4.415) 6.467 4.978 ( 3.807 -0.090 -2.420) 4.512 6.188 ( 3.231 -3.267 -0.542) 4.627 8.004 ( -2.192 8.578 12.271) 15.131 8.451 ( -7.538 -7.208 13.377) 16.963 10.225 ( 9.111 -0.586 -7.806) 12.012 10.761 ( -4.072 -0.271 4.592) 6.144 11.479 ( -3.343 -0.336 2.689) 4.304 14.347 ( 7.447 7.333 -2.832) 10.828 14.549 ( -1.672 7.506 -7.520) 10.756 15.720 ( 12.043 1.130 -5.752) 13.394 16.734 ( 3.770 -9.245 0.603) 10.002 ======================= Grid point 15 (10/282) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 6.467 -1.897 4.381) 8.038 1.079 ( 4.665 -2.671 2.896) 6.106 1.512 ( -0.936 2.204 -3.334) 4.105 1.652 ( -0.698 -0.786 0.523) 1.174 2.093 ( -0.841 4.813 -2.381) 5.436 2.395 ( -0.754 -1.076 -3.116) 3.382 2.570 ( 1.794 1.533 4.637) 5.203 2.759 ( -2.155 -2.048 2.775) 4.067 3.051 ( -1.874 -2.494 -0.226) 3.127 3.103 ( 0.396 -2.021 -4.214) 4.691 3.828 ( 1.790 0.297 0.052) 1.815 4.356 ( 0.066 0.052 1.431) 1.434 4.745 ( 1.063 -0.064 -0.574) 1.210 4.991 ( 1.189 0.216 -1.486) 1.916 6.261 ( 3.252 -2.513 -0.640) 4.159 7.966 ( -0.149 6.556 3.035) 7.226 8.533 ( -0.692 -4.238 2.403) 4.920 10.253 ( 6.720 -0.816 -11.058) 12.965 10.773 ( -2.956 0.899 9.543) 10.030 11.475 ( -2.838 -0.562 4.258) 5.148 14.267 ( 0.486 8.284 -5.881) 10.171 14.451 ( 1.061 2.251 -1.147) 2.741 15.794 ( 7.219 1.103 -2.893) 7.855 16.862 ( 4.304 -2.951 1.560) 5.447 ======================= Grid point 16 (11/282) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 3.675 3.861 -0.248) 5.336 1.113 ( -1.903 2.105 -1.362) 3.148 1.489 ( 2.322 -1.720 -0.447) 2.924 1.614 ( -3.865 0.422 -4.433) 5.896 2.029 ( -0.545 1.353 -1.393) 2.017 2.366 ( -0.828 -1.270 -3.948) 4.229 2.579 ( -3.656 1.812 5.081) 6.517 2.778 ( 0.691 -1.398 -0.904) 1.803 3.095 ( 0.316 -1.614 -3.475) 3.844 3.104 ( 1.441 -2.551 4.690) 5.530 3.834 ( 0.340 1.140 0.203) 1.207 4.363 ( -0.326 0.571 1.611) 1.740 4.743 ( -2.233 0.355 2.352) 3.263 4.980 ( -1.370 0.207 -0.229) 1.405 6.307 ( 2.271 0.098 -0.565) 2.343 7.892 ( -0.432 4.190 -4.612) 6.246 8.576 ( 4.317 -1.508 -5.295) 6.997 10.231 ( 3.417 -0.603 -11.186) 11.712 10.819 ( -1.429 2.059 11.705) 11.970 11.490 ( -2.137 -0.168 5.466) 5.871 14.117 ( -6.129 3.180 -3.907) 7.934 14.456 ( 3.919 1.833 -1.060) 4.454 15.815 ( 2.409 3.055 -0.782) 3.968 16.950 ( 5.557 0.944 2.743) 6.268 ======================= Grid point 17 (12/282) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.803 10.096 -3.985) 11.003 1.001 ( -3.996 5.783 -3.149) 7.702 1.449 ( -8.071 2.115 -12.732) 15.222 1.584 ( 4.538 -2.369 2.750) 5.811 2.031 ( -0.007 -2.907 0.303) 2.922 2.359 ( 1.242 -1.836 -1.803) 2.857 2.541 ( -6.033 0.837 5.274) 8.057 2.799 ( 2.715 -1.230 -2.467) 3.869 3.072 ( -1.643 -1.323 -3.429) 4.026 3.209 ( 3.121 -0.782 6.554) 7.301 3.812 ( -1.225 1.945 0.023) 2.299 4.361 ( -0.577 1.026 1.478) 1.890 4.720 ( -4.920 0.802 4.501) 6.716 4.950 ( -3.450 0.157 0.878) 3.564 6.303 ( 1.173 3.290 -0.448) 3.522 7.782 ( -0.483 1.333 -12.593) 12.673 8.592 ( 8.344 0.963 -10.283) 13.277 10.173 ( 0.240 0.167 -8.379) 8.384 10.877 ( 0.320 2.648 10.544) 10.876 11.514 ( -1.239 0.537 5.965) 6.116 13.985 ( -10.151 -1.578 -1.324) 10.358 14.470 ( 2.431 1.193 -1.818) 3.262 15.770 ( -1.099 5.598 0.748) 5.753 17.028 ( 6.570 3.512 4.416) 8.660 ======================= Grid point 18 (13/282) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.167 11.368 -4.599) 12.952 0.824 ( -5.453 9.826 -3.317) 11.717 1.155 ( -10.206 6.645 -16.992) 20.906 1.683 ( 3.397 -1.842 2.168) 4.431 2.090 ( 0.099 -5.410 1.237) 5.550 2.408 ( 2.978 -2.545 0.245) 3.925 2.507 ( -4.811 0.013 4.269) 6.432 2.841 ( 4.362 -1.103 -1.099) 4.632 3.032 ( -2.771 -1.220 -3.036) 4.287 3.290 ( 1.451 0.816 5.493) 5.740 3.759 ( -2.608 2.474 -0.499) 3.629 4.350 ( -0.626 1.249 1.090) 1.772 4.679 ( -6.774 1.104 5.896) 9.048 4.907 ( -4.485 0.303 1.349) 4.693 6.257 ( 0.631 5.396 -0.363) 5.445 7.645 ( 1.560 -1.096 -21.245) 21.331 8.595 ( 11.650 2.708 -13.423) 17.979 10.101 ( -1.935 0.991 -4.518) 5.014 10.937 ( 2.359 2.624 7.171) 7.992 11.545 ( -0.186 1.096 5.662) 5.771 13.870 ( -15.642 -5.230 1.379) 16.550 14.445 ( -1.333 1.638 -2.359) 3.166 15.679 ( -2.321 7.304 1.511) 7.811 17.104 ( 7.007 5.524 6.730) 11.176 ======================= Grid point 19 (14/282) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -4.399 10.485 -2.767) 11.702 0.588 ( -5.690 12.868 -3.443) 14.485 0.781 ( -8.733 12.446 -15.596) 21.781 1.742 ( 1.319 -0.732 1.316) 2.002 2.172 ( 0.023 -6.221 1.082) 6.315 2.463 ( -1.843 -1.300 1.378) 2.643 2.515 ( 3.176 -1.001 2.008) 3.889 2.912 ( 4.868 0.131 2.416) 5.436 2.996 ( -2.122 -3.221 -2.888) 4.818 3.307 ( -2.095 2.071 2.921) 4.148 3.686 ( -2.947 2.671 -0.843) 4.065 4.336 ( -0.491 1.161 0.563) 1.381 4.628 ( -7.191 1.205 6.081) 9.495 4.859 ( -3.543 0.566 0.851) 3.687 6.195 ( 0.479 5.583 -0.211) 5.608 7.500 ( 5.085 -1.670 -27.258) 27.779 8.601 ( 13.484 2.903 -14.276) 19.851 10.035 ( -2.127 1.350 -1.386) 2.875 10.992 ( 4.109 1.958 2.959) 5.429 11.575 ( 0.713 1.391 4.154) 4.438 13.718 ( -23.572 -5.572 3.473) 24.469 14.364 ( -3.245 3.227 -1.907) 4.958 15.577 ( -1.522 7.295 1.201) 7.548 17.191 ( 7.158 5.348 8.828) 12.561 ======================= Grid point 20 (15/282) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 0.000 9.664 -0.000) 9.664 0.359 ( 0.000 14.968 -0.000) 14.968 0.447 ( 0.000 18.380 -0.000) 18.380 1.759 ( -0.000 -0.202 0.000) 0.202 2.250 ( -0.000 -6.023 0.000) 6.023 2.449 ( 0.000 1.091 -0.000) 1.091 2.578 ( -0.000 -1.412 0.000) 1.412 2.996 ( -0.000 -3.429 0.000) 3.429 3.016 ( -0.000 -3.459 0.000) 3.459 3.233 ( 0.000 5.494 -0.000) 5.494 3.629 ( 0.000 2.286 -0.000) 2.286 4.322 ( 0.000 0.834 -0.000) 0.834 4.584 ( 0.000 1.503 -0.000) 1.503 4.831 ( 0.000 0.571 -0.000) 0.571 6.139 ( 0.000 4.228 -0.000) 4.228 7.393 ( 0.000 0.938 -0.000) 0.938 8.617 ( 0.000 0.898 -0.000) 0.898 10.000 ( 0.000 1.120 -0.000) 1.120 11.030 ( 0.000 0.243 -0.000) 0.243 11.587 ( 0.000 1.172 -0.000) 1.172 13.527 ( 0.000 2.222 -0.000) 2.222 14.290 ( 0.000 3.233 -0.000) 3.233 15.495 ( 0.000 5.627 -0.000) 5.627 17.274 ( 0.000 0.648 -0.000) 0.648 ======================= Grid point 23 (16/282) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 8.272 0.000 8.579) 11.917 0.881 ( 8.251 0.000 6.388) 10.434 1.500 ( 6.896 0.000 6.286) 9.331 1.662 ( -0.062 -0.000 -2.562) 2.563 2.287 ( -2.460 -0.000 -1.658) 2.966 2.379 ( 2.536 0.000 -6.336) 6.825 2.544 ( 1.506 0.000 5.449) 5.653 2.686 ( -4.469 -0.000 6.822) 8.156 3.060 ( -3.921 -0.000 -5.371) 6.650 3.087 ( 0.097 0.000 -4.704) 4.705 3.795 ( 3.540 0.000 -0.127) 3.543 4.337 ( 0.427 0.000 1.422) 1.485 4.724 ( 5.161 0.000 -5.021) 7.201 4.976 ( 4.489 0.000 -2.627) 5.201 6.146 ( 3.860 0.000 -0.613) 3.909 8.236 ( -16.247 -0.000 26.982) 31.496 8.240 ( 4.519 0.000 2.902) 5.370 10.217 ( 11.206 0.000 -11.210) 15.850 10.759 ( -4.926 -0.000 7.676) 9.121 11.475 ( -4.859 -0.000 4.308) 6.494 14.425 ( 5.675 0.000 -0.061) 5.675 14.686 ( -4.379 -0.000 -14.670) 15.310 15.767 ( 15.573 0.000 -12.681) 20.083 16.573 ( 9.679 0.000 6.900) 11.887 ======================= Grid point 24 (17/282) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 8.399 -0.987 7.253) 11.141 1.024 ( 6.348 -1.484 3.597) 7.445 1.545 ( -0.750 0.476 -3.289) 3.407 1.649 ( 0.573 0.366 -0.748) 1.010 2.209 ( -2.402 3.850 -2.803) 5.333 2.362 ( 0.154 -1.488 -4.965) 5.185 2.621 ( 2.339 2.482 7.041) 7.823 2.699 ( -3.714 -2.706 5.596) 7.241 2.995 ( -2.063 -1.622 -1.810) 3.188 3.052 ( 0.054 -1.604 -6.007) 6.218 3.835 ( 2.903 0.178 0.007) 2.908 4.357 ( 0.252 0.027 2.182) 2.197 4.743 ( 1.728 -0.047 -0.877) 1.938 4.996 ( 2.088 0.132 -2.323) 3.126 6.208 ( 5.200 -1.446 -0.485) 5.420 8.156 ( -3.112 8.381 4.789) 10.142 8.392 ( 1.518 -7.062 3.738) 8.133 10.236 ( 10.208 -0.452 -16.522) 19.427 10.792 ( -4.229 0.513 14.192) 14.818 11.463 ( -4.739 -0.336 6.998) 8.458 14.456 ( -0.193 5.573 -7.443) 9.300 14.500 ( -0.492 1.151 -4.571) 4.740 15.837 ( 11.678 1.906 -7.535) 14.028 16.775 ( 9.485 -3.170 5.321) 11.328 ======================= Grid point 25 (18/282) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 8.096 0.379 3.906) 8.997 1.121 ( 2.451 -1.028 1.300) 2.959 1.463 ( -3.281 -0.517 -6.882) 7.642 1.640 ( 0.021 1.635 -0.317) 1.665 2.104 ( -2.288 4.064 -3.433) 5.791 2.334 ( -0.798 -1.325 -4.190) 4.466 2.621 ( -5.330 1.617 5.024) 7.500 2.733 ( -0.828 -1.954 0.429) 2.165 3.027 ( 0.212 -2.995 -4.741) 5.611 3.049 ( 3.524 -2.296 4.159) 5.915 3.860 ( 1.821 0.857 0.136) 2.017 4.376 ( -0.153 0.415 2.637) 2.674 4.750 ( -1.220 0.214 1.925) 2.289 4.987 ( -0.427 0.321 -1.473) 1.567 6.289 ( 5.365 -1.090 -0.002) 5.475 8.032 ( -1.694 6.611 -6.219) 9.233 8.506 ( 4.334 -3.983 -0.627) 5.919 10.214 ( 7.813 -0.636 -16.774) 18.515 10.864 ( -2.948 1.566 16.059) 16.402 11.482 ( -3.626 -0.395 8.849) 9.571 14.239 ( -7.082 5.551 -8.591) 12.441 14.516 ( 4.900 2.613 -1.434) 5.735 15.884 ( 7.494 2.683 -3.672) 8.766 16.950 ( 8.761 -0.700 4.105) 9.700 ======================= Grid point 26 (19/282) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 2.603 6.154 -0.787) 6.728 1.096 ( -1.567 2.280 -3.118) 4.168 1.411 ( -2.361 -4.272 -6.690) 8.282 1.605 ( 1.055 3.422 -0.113) 3.582 2.018 ( -1.437 1.648 -2.406) 3.251 2.317 ( 0.227 -1.677 -2.396) 2.933 2.559 ( -7.803 0.766 4.311) 8.947 2.744 ( -0.303 -2.975 -1.938) 3.563 3.013 ( -0.787 -3.382 -5.969) 6.905 3.190 ( 5.762 -0.754 7.965) 9.860 3.858 ( 0.312 1.801 -0.083) 1.829 4.385 ( -0.531 0.950 2.569) 2.790 4.739 ( -3.360 0.702 3.480) 4.888 4.957 ( -2.266 0.390 -0.498) 2.352 6.355 ( 4.381 1.155 0.695) 4.583 7.859 ( -1.932 4.450 -13.655) 14.491 8.584 ( 5.768 -1.300 -3.138) 6.694 10.172 ( 5.040 -0.176 -13.514) 14.424 10.939 ( -1.752 2.406 14.334) 14.639 11.524 ( -2.057 0.219 9.203) 9.432 14.028 ( -7.963 3.911 -6.021) 10.722 14.525 ( 4.094 2.965 -2.100) 5.474 15.892 ( 3.634 4.476 -1.215) 5.892 17.082 ( 8.198 1.416 3.802) 9.147 ======================= Grid point 27 (20/282) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -6.509 8.143 -6.118) 12.088 1.029 ( -0.052 7.020 -2.392) 7.416 1.293 ( -4.634 4.408 -10.434) 12.238 1.640 ( 4.024 -1.170 2.020) 4.652 1.998 ( -0.490 -2.035 -0.423) 2.136 2.346 ( 1.877 -2.612 -0.337) 3.234 2.497 ( -6.915 -0.583 3.809) 7.916 2.773 ( 1.040 -3.928 -1.744) 4.422 2.987 ( -2.128 -2.788 -4.950) 6.066 3.316 ( 4.572 1.198 6.766) 8.254 3.822 ( -1.204 2.676 -0.703) 3.018 4.382 ( -0.682 1.393 1.962) 2.501 4.709 ( -4.360 1.294 3.849) 5.958 4.917 ( -3.040 0.523 0.138) 3.088 6.376 ( 2.832 4.277 1.135) 5.254 7.667 ( -1.668 2.291 -16.730) 16.968 8.629 ( 6.066 0.563 -4.623) 7.648 10.121 ( 2.160 0.729 -8.605) 8.902 10.999 ( -0.369 2.612 10.221) 10.556 11.573 ( -0.430 1.118 7.953) 8.042 13.851 ( -8.588 2.175 -3.388) 9.485 14.509 ( 2.225 3.370 -2.427) 4.711 15.849 ( 0.952 6.672 0.187) 6.742 17.187 ( 7.022 2.268 3.915) 8.353 ======================= Grid point 28 (21/282) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -6.652 7.920 -6.089) 12.002 0.878 ( -2.684 11.135 -2.310) 11.685 1.072 ( -2.397 11.572 -7.627) 14.065 1.714 ( 2.353 -1.555 1.101) 3.028 2.037 ( -0.052 -4.693 0.446) 4.714 2.406 ( 1.336 -2.990 0.570) 3.324 2.476 ( -2.716 -2.236 2.401) 4.259 2.835 ( 2.198 -4.767 -0.689) 5.295 2.949 ( -2.861 -2.027 -2.969) 4.595 3.378 ( 2.104 3.252 4.062) 5.613 3.759 ( -1.800 3.270 -1.066) 3.882 4.369 ( -0.540 1.601 1.008) 1.968 4.667 ( -3.668 1.890 2.899) 5.043 4.876 ( -2.360 0.804 0.233) 2.504 6.344 ( 1.271 6.552 0.808) 6.723 7.503 ( -0.335 1.204 -13.730) 13.787 8.647 ( 4.897 1.381 -4.523) 6.808 10.070 ( 0.105 1.510 -3.622) 3.925 11.037 ( 0.784 2.066 4.847) 5.327 11.614 ( 0.648 1.654 5.000) 5.306 13.703 ( -8.211 2.203 -1.063) 8.568 14.459 ( 0.149 4.435 -1.811) 4.793 15.767 ( -0.185 8.195 0.578) 8.217 17.265 ( 4.553 2.038 3.400) 6.037 ======================= Grid point 29 (22/282) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 8.261 -0.000) 8.261 0.698 ( 0.000 13.484 -0.000) 13.484 0.855 ( 0.000 15.855 -0.000) 15.855 1.747 ( -0.000 -0.898 0.000) 0.898 2.104 ( -0.000 -5.921 0.000) 5.921 2.439 ( -0.000 -1.710 0.000) 1.710 2.519 ( -0.000 -3.542 0.000) 3.542 2.912 ( -0.000 -5.035 0.000) 5.035 2.935 ( -0.000 -1.980 0.000) 1.980 3.357 ( 0.000 4.823 -0.000) 4.823 3.699 ( 0.000 3.412 -0.000) 3.412 4.351 ( 0.000 1.510 -0.000) 1.510 4.630 ( 0.000 2.206 -0.000) 2.206 4.850 ( 0.000 0.956 -0.000) 0.956 6.274 ( 0.000 6.820 -0.000) 6.820 7.422 ( 0.000 1.431 -0.000) 1.431 8.644 ( 0.000 1.313 -0.000) 1.313 10.035 ( 0.000 1.716 -0.000) 1.716 11.045 ( 0.000 1.169 -0.000) 1.169 11.622 ( 0.000 1.673 -0.000) 1.673 13.598 ( 0.000 3.645 -0.000) 3.645 14.391 ( 0.000 4.988 -0.000) 4.988 15.668 ( 0.000 8.418 -0.000) 8.418 17.295 ( 0.000 1.150 -0.000) 1.150 ======================= Grid point 34 (23/282) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 8.468 0.000 6.538) 10.698 1.101 ( 4.283 0.000 0.919) 4.380 1.458 ( -4.988 -0.000 -8.446) 9.808 1.666 ( 1.548 0.000 0.483) 1.622 2.165 ( -3.599 -0.000 -3.850) 5.270 2.314 ( -0.145 -0.000 -4.380) 4.382 2.642 ( -7.642 -0.000 5.670) 9.516 2.708 ( -0.322 -0.000 0.480) 0.578 2.986 ( 0.406 0.000 -7.684) 7.694 3.016 ( 4.942 0.000 6.421) 8.102 3.870 ( 2.396 0.000 0.076) 2.397 4.381 ( -0.009 -0.000 2.952) 2.952 4.753 ( -0.853 -0.000 1.840) 2.028 4.992 ( -0.077 -0.000 -1.938) 1.940 6.274 ( 6.583 0.000 0.442) 6.597 8.134 ( -4.011 -0.000 -9.888) 10.670 8.438 ( 6.279 0.000 3.739) 7.309 10.206 ( 9.210 0.000 -18.350) 20.532 10.884 ( -3.279 -0.000 17.198) 17.507 11.476 ( -4.165 -0.000 10.158) 10.978 14.314 ( -8.416 -0.000 -10.413) 13.389 14.552 ( 5.101 0.000 -1.500) 5.317 15.922 ( 9.117 0.000 -5.662) 10.732 16.937 ( 10.664 0.000 5.418) 11.961 ======================= Grid point 35 (24/282) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 8.165 1.409 3.230) 8.894 1.125 ( -1.640 0.344 -1.586) 2.308 1.325 ( -3.486 -2.142 -9.138) 10.012 1.679 ( 1.011 1.993 0.875) 2.400 2.074 ( -2.998 1.983 -4.154) 5.493 2.286 ( -0.027 -0.829 -2.885) 3.002 2.578 ( -8.768 0.722 4.645) 9.948 2.682 ( -2.512 -1.782 -2.008) 3.677 2.939 ( 0.496 -2.138 -7.992) 8.288 3.176 ( 7.848 -0.350 9.035) 11.972 3.889 ( 1.243 0.734 -0.209) 1.459 4.402 ( -0.372 0.400 3.100) 3.148 4.751 ( -2.608 0.274 3.182) 4.124 4.965 ( -1.638 0.211 -1.277) 2.088 6.367 ( 6.589 0.143 1.848) 6.845 7.952 ( -3.076 2.524 -17.825) 18.264 8.550 ( 5.488 -1.102 2.505) 6.132 10.168 ( 7.474 -0.113 -15.675) 17.366 10.981 ( -2.443 0.999 15.698) 15.919 11.526 ( -2.429 -0.024 11.104) 11.366 14.112 ( -8.427 2.295 -8.720) 12.342 14.584 ( 4.050 1.559 -1.996) 4.777 15.970 ( 6.174 1.866 -3.052) 7.136 17.102 ( 9.418 0.340 4.140) 10.293 ======================= Grid point 36 (25/282) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -8.418 2.906 -8.241) 12.134 1.156 ( 4.147 4.084 -2.660) 6.399 1.320 ( 1.745 -1.983 -1.554) 3.064 1.661 ( 0.888 2.557 0.370) 2.732 1.995 ( -1.648 1.262 -2.496) 3.246 2.293 ( 1.401 -1.705 -1.009) 2.427 2.494 ( -8.220 0.555 3.264) 8.862 2.676 ( -1.618 -3.935 -1.111) 4.397 2.911 ( -0.395 -3.115 -6.827) 7.515 3.339 ( 6.854 0.670 7.682) 10.317 3.876 ( -0.299 1.727 -0.874) 1.958 4.411 ( -0.583 0.962 2.521) 2.761 4.735 ( -3.197 0.795 3.197) 4.590 4.929 ( -2.153 0.444 -0.617) 2.283 6.451 ( 5.161 2.059 2.991) 6.311 7.728 ( -2.969 2.346 -18.717) 19.095 8.632 ( 4.310 -0.152 0.686) 4.367 10.134 ( 4.953 0.356 -10.869) 11.950 11.054 ( -1.589 1.874 11.686) 11.941 11.592 ( -0.636 0.452 9.459) 9.491 13.920 ( -7.203 2.851 -6.185) 9.913 14.585 ( 2.845 2.652 -2.080) 4.411 15.978 ( 3.329 3.949 -1.148) 5.292 17.227 ( 7.252 1.146 3.070) 7.958 ======================= Grid point 37 (26/282) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -7.204 4.407 -7.881) 11.551 1.092 ( 0.045 6.676 -2.619) 7.171 1.296 ( 0.780 6.659 -1.783) 6.938 1.678 ( 1.949 -1.087 0.812) 2.375 1.968 ( -0.543 -1.063 -0.575) 1.325 2.338 ( 2.361 -2.465 -0.200) 3.419 2.430 ( -5.789 -1.124 2.123) 6.267 2.716 ( -0.004 -5.224 -0.117) 5.225 2.889 ( -1.283 -2.858 -4.311) 5.329 3.444 ( 4.078 2.238 4.805) 6.688 3.830 ( -1.193 2.610 -1.235) 3.124 4.407 ( -0.469 1.458 1.361) 2.049 4.708 ( -2.387 1.439 2.079) 3.477 4.895 ( -1.573 0.742 -0.181) 1.748 6.483 ( 2.640 4.882 2.420) 6.055 7.538 ( -1.853 1.547 -12.564) 12.793 8.672 ( 2.672 0.740 -0.581) 2.832 10.102 ( 2.053 1.114 -5.229) 5.727 11.090 ( -0.607 2.265 6.038) 6.478 11.646 ( 0.353 1.009 5.529) 5.631 13.772 ( -4.708 3.070 -2.997) 6.370 14.558 ( 1.357 3.702 -1.477) 4.210 15.940 ( 1.150 6.067 -0.137) 6.177 17.305 ( 4.164 1.351 1.974) 4.802 ======================= Grid point 38 (27/282) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 5.976 -0.000) 5.976 0.978 ( 0.000 9.829 -0.000) 9.829 1.180 ( 0.000 11.334 -0.000) 11.334 1.715 ( -0.000 -1.735 0.000) 1.735 1.990 ( -0.000 -3.298 0.000) 3.298 2.387 ( -0.000 -2.343 0.000) 2.343 2.428 ( -0.000 -3.525 0.000) 3.525 2.785 ( -0.000 -5.665 0.000) 5.665 2.887 ( -0.000 -2.231 0.000) 2.231 3.456 ( 0.000 3.533 -0.000) 3.533 3.780 ( 0.000 3.204 -0.000) 3.204 4.390 ( 0.000 1.709 -0.000) 1.709 4.680 ( 0.000 1.962 -0.000) 1.962 4.873 ( 0.000 0.973 -0.000) 0.973 6.439 ( 0.000 6.693 -0.000) 6.693 7.456 ( 0.000 1.333 -0.000) 1.333 8.674 ( 0.000 1.153 -0.000) 1.153 10.076 ( 0.000 1.608 -0.000) 1.608 11.085 ( 0.000 2.132 -0.000) 2.132 11.659 ( 0.000 1.355 -0.000) 1.355 13.688 ( 0.000 3.696 -0.000) 3.696 14.509 ( 0.000 4.687 -0.000) 4.687 15.864 ( 0.000 7.649 -0.000) 7.649 17.325 ( 0.000 1.284 -0.000) 1.284 ======================= Grid point 45 (28/282) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -8.196 -0.000 -8.651) 11.917 1.229 ( 1.061 0.000 -5.902) 5.997 1.260 ( 7.865 0.000 4.220) 8.926 1.701 ( -0.767 -0.000 0.374) 0.853 2.018 ( -2.252 -0.000 -3.500) 4.162 2.271 ( 1.441 0.000 -1.188) 1.868 2.512 ( -8.650 -0.000 4.222) 9.625 2.616 ( -2.591 -0.000 -1.993) 3.269 2.868 ( 0.603 0.000 -7.483) 7.507 3.347 ( 7.699 0.000 7.959) 11.074 3.898 ( 0.016 0.000 -0.972) 0.973 4.423 ( -0.517 -0.000 2.695) 2.744 4.744 ( -2.875 -0.000 3.074) 4.209 4.935 ( -1.882 -0.000 -0.877) 2.076 6.475 ( 6.163 0.000 3.772) 7.225 7.758 ( -3.434 -0.000 -20.296) 20.584 8.629 ( 3.998 0.000 2.713) 4.831 10.138 ( 5.894 0.000 -11.511) 12.932 11.078 ( -1.788 -0.000 12.015) 12.147 11.597 ( -0.748 -0.000 10.053) 10.081 13.958 ( -7.348 -0.000 -7.199) 10.287 14.618 ( 2.647 0.000 -1.888) 3.251 16.026 ( 4.135 0.000 -1.792) 4.506 17.240 ( 7.362 0.000 2.943) 7.928 ======================= Grid point 46 (29/282) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -6.711 1.341 -7.962) 10.499 1.193 ( 0.880 2.066 -2.962) 3.717 1.374 ( 4.964 0.748 2.272) 5.510 1.675 ( -1.558 0.441 -0.422) 1.673 1.971 ( -0.961 0.642 -1.641) 2.007 2.299 ( 2.809 -0.789 -0.166) 2.922 2.435 ( -6.497 1.197 2.251) 6.979 2.602 ( -1.412 -3.682 -0.575) 3.985 2.831 ( 0.051 -1.541 -4.640) 4.889 3.480 ( 5.081 0.772 5.114) 7.250 3.874 ( -0.976 0.987 -1.386) 1.962 4.432 ( -0.399 0.596 1.537) 1.696 4.732 ( -1.933 0.518 1.871) 2.740 4.908 ( -1.243 0.294 -0.403) 1.339 6.563 ( 3.822 1.743 3.692) 5.593 7.567 ( -2.562 0.686 -13.729) 13.982 8.683 ( 2.096 0.227 1.241) 2.446 10.120 ( 3.104 0.404 -5.927) 6.702 11.132 ( -0.933 1.053 6.448) 6.600 11.661 ( 0.157 0.271 5.938) 5.946 13.827 ( -4.358 1.317 -4.020) 6.074 14.621 ( 1.347 1.431 -1.204) 2.305 16.040 ( 1.916 2.210 -0.672) 3.001 17.327 ( 4.027 0.522 1.558) 4.349 ======================= Grid point 47 (30/282) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.000 3.062 -0.000) 3.062 1.148 ( 0.000 4.460 -0.000) 4.460 1.376 ( 0.000 5.153 -0.000) 5.153 1.674 ( -0.000 -1.528 0.000) 1.528 1.955 ( 0.000 0.028 -0.000) 0.028 2.339 ( -0.000 -1.521 0.000) 1.521 2.384 ( 0.000 0.174 -0.000) 0.174 2.650 ( -0.000 -5.530 0.000) 5.530 2.832 ( -0.000 -2.161 0.000) 2.161 3.520 ( 0.000 1.870 -0.000) 1.870 3.842 ( 0.000 1.891 -0.000) 1.891 4.425 ( 0.000 1.156 -0.000) 1.156 4.717 ( 0.000 1.095 -0.000) 1.095 4.892 ( 0.000 0.602 -0.000) 0.602 6.570 ( 0.000 4.026 -0.000) 4.026 7.481 ( 0.000 0.778 -0.000) 0.778 8.696 ( 0.000 0.640 -0.000) 0.640 10.107 ( 0.000 0.945 -0.000) 0.945 11.136 ( 0.000 1.847 -0.000) 1.847 11.683 ( 0.000 0.616 -0.000) 0.616 13.761 ( 0.000 2.305 -0.000) 2.305 14.600 ( 0.000 2.746 -0.000) 2.746 16.010 ( 0.000 4.383 -0.000) 4.383 17.351 ( 0.000 0.859 -0.000) 0.859 ======================= Grid point 57 (31/282) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.000 -0.000 0.000) 0.000 1.197 ( -0.000 -0.000 0.000) 0.000 1.433 ( -0.000 -0.000 0.000) 0.000 1.654 ( -0.000 -0.000 0.000) 0.000 1.962 ( -0.000 -0.000 0.000) 0.000 2.320 ( -0.000 -0.000 0.000) 0.000 2.407 ( -0.000 -0.000 0.000) 0.000 2.564 ( 0.000 0.000 -0.000) 0.000 2.803 ( -0.000 -0.000 0.000) 0.000 3.543 ( -0.000 -0.000 0.000) 0.000 3.865 ( -0.000 -0.000 0.000) 0.000 4.440 ( -0.000 -0.000 0.000) 0.000 4.730 ( -0.000 -0.000 0.000) 0.000 4.900 ( -0.000 -0.000 0.000) 0.000 6.618 ( -0.000 -0.000 0.000) 0.000 7.491 ( -0.000 -0.000 0.000) 0.000 8.703 ( -0.000 -0.000 0.000) 0.000 10.118 ( -0.000 -0.000 0.000) 0.000 11.160 ( -0.000 -0.000 0.000) 0.000 11.689 ( -0.000 -0.000 0.000) 0.000 13.789 ( -0.000 -0.000 0.000) 0.000 14.633 ( -0.000 -0.000 0.000) 0.000 16.063 ( -0.000 -0.000 0.000) 0.000 17.362 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 103 (32/282) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( -0.784 -0.000 13.058) 13.081 0.458 ( 5.800 0.000 21.994) 22.746 0.739 ( -5.426 -0.000 35.072) 35.490 1.755 ( -1.996 -0.000 -0.674) 2.107 2.269 ( 5.434 0.000 -7.699) 9.424 2.334 ( -0.891 -0.000 -5.925) 5.992 2.616 ( -2.318 -0.000 1.338) 2.676 2.685 ( 2.845 0.000 3.157) 4.250 3.062 ( 3.318 0.000 -3.311) 4.687 3.115 ( -1.371 -0.000 -0.569) 1.485 3.607 ( 0.690 0.000 0.712) 0.991 4.307 ( 0.466 0.000 -0.542) 0.715 4.672 ( -6.746 -0.000 -1.996) 7.035 4.860 ( -3.563 -0.000 3.558) 5.035 6.176 ( -7.243 -0.000 8.414) 11.102 8.029 ( 6.120 0.000 -7.722) 9.853 9.855 ( 6.210 0.000 -10.952) 12.591 10.975 ( -6.596 -0.000 7.539) 10.018 11.353 ( -6.349 -0.000 -19.629) 20.630 13.011 ( 101.547 0.000 3.032) 101.592 14.169 (-217.447 -0.000 7.030) 217.560 14.287 ( -1.969 -0.000 3.425) 3.951 15.408 ( -1.147 -0.000 -1.683) 2.037 16.170 ( 3.243 0.000 2.043) 3.833 ======================= Grid point 104 (33/282) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 2.409 -2.432 12.682) 13.136 0.693 ( 0.119 -2.872 20.956) 21.152 1.045 ( 7.417 -3.283 25.761) 27.007 1.720 ( -2.280 -0.154 -1.564) 2.769 2.215 ( 2.999 5.107 -7.025) 9.189 2.330 ( 3.164 -3.833 -7.693) 9.159 2.573 ( -3.037 2.771 2.287) 4.705 2.770 ( 1.061 -3.664 2.970) 4.834 3.053 ( 2.930 1.910 -3.938) 5.267 3.120 ( 1.363 -3.125 -5.917) 6.829 3.641 ( 2.953 -0.547 0.992) 3.163 4.312 ( 0.639 -0.249 -0.349) 0.770 4.619 ( -2.600 -0.577 1.990) 3.325 4.866 ( -0.626 -0.484 3.396) 3.487 6.180 ( -5.239 -2.127 7.898) 9.713 8.044 ( 5.933 0.802 -5.871) 8.385 9.852 ( 7.647 0.862 -11.000) 13.424 10.603 ( -81.652 25.449 24.069) 88.848 10.985 ( -12.655 -2.747 4.694) 13.774 12.000 ( -71.673 30.603 56.242) 96.108 13.866 ( 46.207 14.462 -10.008) 49.440 14.342 ( 3.317 -4.055 1.923) 5.581 15.405 ( 0.815 -3.188 -2.739) 4.282 16.453 ( 0.732 -26.924 -6.241) 27.648 ======================= Grid point 105 (34/282) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 3.724 -4.977 11.386) 12.972 0.880 ( -0.901 -2.967 16.874) 17.156 1.359 ( 8.445 -3.420 13.699) 16.452 1.679 ( -2.526 0.139 -0.856) 2.671 2.137 ( 2.611 4.521 -5.818) 7.817 2.349 ( 4.198 -2.588 -7.935) 9.343 2.527 ( -2.452 3.688 4.821) 6.546 2.828 ( -1.214 -1.965 2.784) 3.618 3.044 ( 1.742 -0.624 -3.040) 3.559 3.105 ( 1.274 -2.188 -8.764) 9.122 3.701 ( 3.815 -1.055 0.307) 3.970 4.323 ( 0.942 -0.259 -0.130) 0.985 4.641 ( 0.964 -1.096 2.513) 2.906 4.907 ( 1.076 -0.803 3.513) 3.761 6.224 ( -4.411 -4.210 7.898) 9.979 8.056 ( 4.276 2.071 -2.609) 5.421 9.528 ( -58.950 17.888 35.092) 70.898 9.977 ( -2.635 -5.072 -5.070) 7.641 10.943 ( -7.491 0.941 9.539) 12.165 11.664 ( -15.075 9.660 19.796) 26.692 14.038 ( 20.478 11.843 -3.329) 23.889 14.450 ( 4.966 -1.854 -0.331) 5.312 15.467 ( 4.671 -5.757 -3.288) 8.110 16.668 ( 1.225 -16.276 -5.377) 17.185 ======================= Grid point 106 (35/282) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.899 -5.525 8.759) 10.754 1.022 ( 0.183 -2.675 10.886) 11.211 1.520 ( 1.509 -1.421 1.178) 2.384 1.652 ( -0.332 0.837 1.661) 1.889 2.081 ( 1.296 2.901 -2.782) 4.224 2.359 ( 3.170 -1.779 -7.356) 8.205 2.526 ( 1.191 3.294 7.788) 8.539 2.830 ( -2.587 -0.058 0.296) 2.605 3.058 ( 1.632 -2.175 -3.718) 4.607 3.071 ( 0.560 -1.628 -5.907) 6.153 3.759 ( 3.171 -1.099 -0.029) 3.356 4.339 ( 1.237 -0.018 0.104) 1.242 4.700 ( 2.451 -0.995 3.068) 4.051 4.962 ( 0.937 -0.861 3.937) 4.138 6.294 ( -4.468 -5.104 8.354) 10.762 8.056 ( 1.577 3.071 1.259) 3.675 9.025 ( -39.713 6.506 23.893) 46.801 10.017 ( 6.458 -6.281 -12.280) 15.230 10.933 ( -5.899 2.557 13.144) 14.632 11.582 ( -5.762 5.489 11.013) 13.588 14.101 ( 10.348 6.608 0.055) 12.278 14.481 ( -1.050 -0.245 -0.382) 1.144 15.590 ( 6.777 -6.234 -2.612) 9.572 16.791 ( 1.497 -8.330 -3.572) 9.187 ======================= Grid point 107 (36/282) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.188 -2.073 3.581) 4.142 1.129 ( 0.645 -1.651 5.880) 6.141 1.497 ( -2.817 -0.113 -0.411) 2.849 1.651 ( 0.084 0.702 -2.622) 2.715 2.056 ( -0.952 0.689 1.212) 1.688 2.347 ( 1.505 -1.286 -6.465) 6.761 2.593 ( 2.815 2.230 7.524) 8.337 2.778 ( -1.298 1.306 -3.750) 4.177 3.049 ( 1.781 -0.744 -3.891) 4.344 3.094 ( 0.821 -2.985 -0.824) 3.203 3.801 ( 1.821 -0.680 -0.056) 1.945 4.353 ( 1.205 0.475 0.263) 1.322 4.769 ( 2.143 -0.462 4.240) 4.773 5.011 ( -0.669 -0.975 4.577) 4.728 6.361 ( -5.624 -4.189 9.031) 11.433 8.046 ( -2.067 2.910 5.735) 6.755 8.726 ( -23.589 2.017 8.024) 24.998 10.059 ( 5.647 -5.965 -13.420) 15.734 10.953 ( -4.636 3.485 15.669) 16.708 11.558 ( -2.361 3.917 7.978) 9.196 14.149 ( 3.650 1.173 1.850) 4.257 14.447 ( -3.451 -0.150 0.062) 3.455 15.715 ( 4.862 -4.634 -1.237) 6.830 16.854 ( 2.247 -2.924 -1.937) 4.165 ======================= Grid point 108 (37/282) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.654 4.290 -1.639) 5.304 1.135 ( -4.860 1.834 2.439) 5.738 1.516 ( 0.507 -3.990 1.668) 4.354 1.573 ( -3.714 1.916 -6.988) 8.142 2.062 ( -1.866 -1.634 3.007) 3.899 2.330 ( 1.020 -1.403 -4.502) 4.824 2.633 ( 0.016 2.119 4.198) 4.703 2.727 ( 1.581 1.805 -4.397) 5.009 3.057 ( 1.969 -0.991 -3.442) 4.087 3.146 ( 2.589 -1.802 2.020) 3.745 3.816 ( 0.126 0.039 -0.323) 0.349 4.360 ( 0.846 0.997 0.218) 1.326 4.830 ( 0.621 0.028 5.615) 5.649 5.041 ( -2.943 -1.138 5.035) 5.942 6.393 ( -7.876 -1.926 9.944) 12.830 8.030 ( -8.574 1.867 12.607) 15.360 8.499 ( -11.176 2.075 -5.281) 12.534 10.074 ( 4.035 -4.687 -12.546) 13.988 10.988 ( -4.246 3.940 16.118) 17.127 11.556 ( -0.841 3.220 6.316) 7.139 14.192 ( -4.509 -5.286 3.611) 7.830 14.425 ( -0.653 -0.785 0.605) 1.187 15.784 ( 0.483 -1.889 -0.011) 1.950 16.896 ( 4.115 0.675 -0.016) 4.170 ======================= Grid point 109 (38/282) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -4.589 8.844 -3.457) 10.546 1.040 ( -9.318 3.919 4.978) 11.268 1.361 ( -9.935 2.528 -14.917) 18.100 1.619 ( 2.298 -3.408 4.186) 5.867 2.095 ( -0.691 -3.389 1.507) 3.773 2.345 ( 2.057 -1.964 -0.760) 2.943 2.630 ( -2.268 1.563 3.255) 4.264 2.695 ( 4.313 2.038 -5.531) 7.304 3.054 ( 0.401 -1.052 -3.737) 3.903 3.226 ( 4.377 -0.090 2.852) 5.225 3.796 ( -1.631 0.778 -1.229) 2.185 4.354 ( 0.419 1.315 -0.033) 1.381 4.875 ( -1.557 -0.100 6.468) 6.654 5.046 ( -5.083 -1.062 4.862) 7.113 6.377 ( -10.479 0.114 11.285) 15.401 7.986 ( -20.800 0.676 23.777) 31.598 8.326 ( 3.607 4.395 -14.107) 15.209 10.063 ( 2.635 -2.699 -10.646) 11.294 11.016 ( -4.397 3.937 14.644) 15.788 11.562 ( -0.054 2.605 4.691) 5.366 14.224 ( -10.860 -9.954 5.941) 15.885 14.462 ( 0.151 -4.159 1.117) 4.309 15.771 ( -4.038 0.677 0.829) 4.177 16.944 ( 6.338 3.910 2.416) 7.829 ======================= Grid point 110 (39/282) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -5.323 9.587 -0.876) 11.000 0.896 ( -13.941 6.762 10.180) 18.539 1.027 ( -14.206 4.819 -17.245) 22.856 1.712 ( 1.736 -2.418 3.394) 4.514 2.144 ( 1.406 -4.237 -1.864) 4.838 2.408 ( 2.942 -2.405 1.535) 4.098 2.581 ( -4.240 1.720 0.242) 4.582 2.712 ( 7.743 2.141 -3.981) 8.965 3.035 ( -0.865 -1.677 -3.383) 3.874 3.286 ( 3.657 1.683 1.113) 4.177 3.738 ( -3.068 1.199 -2.503) 4.137 4.340 ( 0.163 1.335 -0.378) 1.397 4.900 ( -3.688 -1.302 5.140) 6.458 5.020 ( -6.339 -0.596 3.638) 7.333 6.329 ( -12.422 0.327 12.772) 17.819 7.917 ( -26.461 -0.889 34.368) 43.384 8.277 ( 10.859 6.052 -2.485) 12.677 10.028 ( 1.745 -0.413 -8.730) 8.912 11.029 ( -4.287 3.447 12.095) 13.287 11.569 ( 0.452 1.792 2.447) 3.066 14.262 ( -11.601 -10.372 7.819) 17.416 14.534 ( -8.232 -13.524 3.166) 16.146 15.692 ( -7.217 1.808 1.451) 7.580 16.999 ( 8.556 7.640 4.974) 12.503 ======================= Grid point 111 (40/282) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -4.715 9.088 5.515) 11.629 0.608 ( -17.733 7.235 -12.345) 22.786 0.744 ( -16.511 7.845 16.547) 24.657 1.768 ( 0.094 -0.960 2.280) 2.476 2.196 ( 3.442 -4.309 -5.303) 7.651 2.486 ( 1.718 -1.687 -1.476) 2.825 2.508 ( -1.802 1.231 1.597) 2.704 2.737 ( 7.357 5.090 -4.108) 9.844 3.027 ( -1.276 -4.007 -2.883) 5.099 3.279 ( 0.864 3.967 -2.459) 4.747 3.661 ( -3.414 0.910 -2.257) 4.193 4.323 ( 0.144 1.039 -0.641) 1.229 4.891 ( -4.644 -2.751 -1.396) 5.575 4.963 ( -6.806 -0.076 1.406) 6.950 6.277 ( -12.623 -0.456 11.705) 17.221 7.967 ( -9.579 -4.474 18.885) 21.643 8.579 ( 5.308 -6.636 77.518) 77.982 9.977 ( 2.048 1.711 -6.465) 6.994 11.033 ( -3.352 3.002 9.766) 10.753 11.568 ( 0.574 0.916 -0.760) 1.322 14.300 ( -7.090 -4.756 6.584) 10.781 14.650 ( -28.758 -37.442 10.250) 48.312 15.587 ( -9.112 0.639 1.778) 9.306 17.057 ( 11.833 11.115 4.132) 16.752 ======================= Grid point 112 (41/282) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( -9.369 8.533 2.860) 12.991 0.298 ( -3.887 5.967 15.260) 16.840 0.642 ( -16.495 5.432 29.655) 34.366 1.777 ( -1.382 -0.019 0.777) 1.585 2.240 ( 4.602 -3.564 -7.289) 9.328 2.415 ( -2.077 2.070 -4.157) 5.087 2.577 ( 1.836 -2.514 2.021) 3.711 2.700 ( 4.134 7.591 -2.125) 8.901 3.043 ( -1.453 -4.628 -2.230) 5.339 3.183 ( -2.379 5.305 -1.928) 6.126 3.612 ( -1.551 0.203 -0.330) 1.599 4.311 ( 0.284 0.508 -0.676) 0.892 4.804 ( -6.192 -1.513 -9.478) 11.422 4.894 ( -6.607 0.288 3.869) 7.662 6.218 ( -10.366 0.466 9.092) 13.796 8.017 ( 3.865 -1.259 -5.266) 6.653 9.852 ( 6.951 -8.367 -1.109) 10.934 10.424 ( 55.993 -54.158 118.279) 141.627 11.069 ( 9.746 3.923 16.410) 19.485 11.559 ( 1.824 -1.624 1.418) 2.824 14.300 ( -3.265 0.800 3.838) 5.102 14.918 ( -66.468 -89.346 13.624) 112.189 15.490 ( -11.973 -4.330 1.169) 12.786 16.951 ( 2.565 27.941 -25.784) 38.106 ======================= Grid point 114 (42/282) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 3.899 0.000 12.420) 13.018 0.847 ( -0.712 -0.000 19.840) 19.853 1.312 ( 8.799 0.000 15.974) 18.237 1.677 ( -1.846 -0.000 -1.963) 2.694 2.255 ( 3.490 0.000 -7.234) 8.032 2.258 ( 3.837 0.000 -7.540) 8.460 2.584 ( -1.980 -0.000 4.060) 4.517 2.792 ( -1.196 -0.000 6.301) 6.413 3.047 ( 2.465 0.000 -9.304) 9.625 3.060 ( 0.158 0.000 -4.557) 4.560 3.689 ( 3.858 0.000 0.748) 3.930 4.320 ( 1.033 0.000 -0.045) 1.034 4.627 ( 1.079 0.000 2.636) 2.848 4.897 ( 1.217 0.000 3.574) 3.776 6.171 ( -4.240 -0.000 7.379) 8.510 8.085 ( 7.804 0.000 -6.107) 9.909 9.818 ( -89.040 -0.000 36.177) 96.109 9.872 ( 11.019 0.000 -14.042) 17.849 10.953 ( -6.948 -0.000 11.667) 13.579 11.819 ( -34.170 -0.000 30.388) 45.727 14.333 ( 1.621 0.000 2.378) 2.878 14.375 ( 31.284 0.000 -21.237) 37.812 15.396 ( 6.145 0.000 -4.250) 7.471 16.376 ( 7.915 0.000 4.836) 9.276 ======================= Grid point 115 (43/282) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 4.678 -1.600 10.971) 12.034 0.988 ( -1.007 -0.464 15.654) 15.693 1.489 ( 4.578 -0.871 3.709) 5.955 1.649 ( -1.021 -0.489 -0.482) 1.231 2.183 ( 3.167 5.086 -5.997) 8.477 2.295 ( 3.545 -3.793 -7.307) 8.963 2.604 ( 0.013 2.490 8.124) 8.498 2.820 ( -3.180 -0.407 5.060) 5.991 3.002 ( 0.596 -1.866 -6.680) 6.962 3.028 ( 0.558 -1.446 -6.858) 7.031 3.744 ( 3.752 -0.261 0.408) 3.783 4.337 ( 1.497 -0.088 0.203) 1.513 4.682 ( 2.886 -0.442 3.381) 4.468 4.948 ( 1.439 -0.293 3.918) 4.184 6.199 ( -3.206 -2.323 7.213) 8.228 8.129 ( 7.988 2.110 -4.416) 9.368 9.150 ( -58.634 3.298 29.544) 65.739 9.905 ( 10.422 -2.697 -14.930) 18.407 10.976 ( -6.068 1.001 14.695) 15.930 11.694 ( -15.697 3.039 17.584) 23.767 14.320 ( 8.003 8.744 -3.012) 12.230 14.479 ( 5.982 -0.456 -8.382) 10.307 15.485 ( 11.386 -2.255 -4.942) 12.616 16.573 ( 7.913 -7.558 2.742) 11.280 ======================= Grid point 116 (44/282) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 4.041 -1.477 8.046) 9.124 1.095 ( -0.018 -0.880 10.294) 10.331 1.504 ( -1.238 0.307 -3.592) 3.811 1.650 ( -0.656 -0.568 -0.115) 0.875 2.117 ( 1.331 4.098 -3.528) 5.569 2.306 ( 1.891 -2.314 -6.781) 7.410 2.658 ( 1.571 2.935 8.734) 9.347 2.798 ( -2.812 0.718 -0.095) 2.903 2.999 ( 0.668 -2.957 -6.364) 7.049 3.013 ( 0.451 -3.504 -1.160) 3.718 3.792 ( 3.043 -0.150 0.209) 3.054 4.360 ( 1.720 0.098 0.408) 1.770 4.757 ( 2.493 -0.467 4.835) 5.460 4.996 ( 0.020 -0.297 4.260) 4.271 6.261 ( -2.463 -3.608 7.237) 8.453 8.150 ( 4.801 4.890 -0.104) 6.853 8.744 ( -35.196 -0.308 14.847) 38.200 9.942 ( 8.862 -3.670 -14.428) 17.325 11.021 ( -4.785 2.101 16.343) 17.158 11.638 ( -8.077 2.656 12.063) 14.759 14.271 ( 4.436 7.717 -4.395) 9.927 14.458 ( -0.789 0.459 -1.723) 1.950 15.624 ( 11.115 -2.726 -3.585) 11.993 16.758 ( 7.284 -4.714 1.126) 8.749 ======================= Grid point 117 (45/282) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 2.865 1.687 3.589) 4.892 1.166 ( -1.450 0.397 4.971) 5.194 1.443 ( -2.580 -1.963 -4.334) 5.412 1.620 ( -1.665 1.988 -2.095) 3.334 2.065 ( -1.509 1.893 0.245) 2.433 2.294 ( 1.080 -1.651 -5.240) 5.599 2.683 ( -1.018 1.946 2.707) 3.486 2.757 ( -1.102 1.045 -0.717) 1.680 2.994 ( 0.625 -3.948 -6.278) 7.443 3.090 ( 3.367 -2.766 4.023) 5.930 3.822 ( 1.832 0.383 -0.219) 1.885 4.380 ( 1.450 0.631 0.428) 1.638 4.827 ( 0.272 -0.234 6.576) 6.586 5.023 ( -2.130 -0.370 4.473) 4.968 6.331 ( -2.576 -2.896 7.254) 8.225 8.121 ( -6.307 5.514 9.437) 12.619 8.507 ( -13.857 -1.475 -1.752) 14.045 9.972 ( 6.849 -3.653 -12.063) 14.344 11.072 ( -4.076 2.960 15.932) 16.710 11.622 ( -4.159 2.249 8.855) 10.038 14.178 ( -3.409 3.265 -2.871) 5.525 14.442 ( 1.222 1.780 0.316) 2.182 15.745 ( 7.489 -1.382 -1.870) 7.842 16.889 ( 7.461 -1.056 0.951) 7.595 ======================= Grid point 118 (46/282) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.859 7.514 -0.701) 7.595 1.113 ( -6.118 2.497 1.934) 6.886 1.391 ( -5.380 -1.069 -10.248) 11.623 1.574 ( 1.214 0.868 2.690) 3.076 2.045 ( -2.566 -0.690 2.867) 3.909 2.299 ( 1.736 -1.975 -2.249) 3.460 2.656 ( -2.578 0.593 0.662) 2.727 2.725 ( -0.074 0.765 -2.340) 2.463 2.997 ( 0.004 -3.867 -5.571) 6.782 3.209 ( 5.365 -1.037 4.954) 7.375 3.820 ( 0.206 1.197 -1.221) 1.722 4.386 ( 0.908 1.243 0.142) 1.546 4.873 ( -2.986 -0.099 7.776) 8.330 5.026 ( -4.158 -0.527 4.348) 6.039 6.374 ( -3.607 -0.357 7.259) 8.113 8.020 ( -21.397 2.201 19.909) 29.310 8.399 ( 5.774 1.759 -12.521) 13.900 9.997 ( 4.991 -2.635 -8.666) 10.342 11.107 ( -4.110 3.515 13.771) 14.795 11.621 ( -1.901 2.218 6.007) 6.679 14.080 ( -8.697 -1.645 0.416) 8.861 14.446 ( 2.025 1.658 0.427) 2.652 15.801 ( 3.019 1.351 -0.603) 3.362 16.996 ( 8.308 1.114 1.651) 8.544 ======================= Grid point 119 (47/282) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -3.670 10.654 -1.685) 11.394 1.031 ( -6.352 3.943 5.305) 9.168 1.154 ( -9.446 6.169 -13.306) 17.445 1.652 ( 2.909 -2.337 3.712) 5.264 2.061 ( -1.677 -2.548 2.165) 3.741 2.348 ( 2.722 -2.757 0.163) 3.878 2.607 ( -5.669 0.367 1.112) 5.789 2.722 ( 4.815 -0.595 -4.586) 6.676 2.989 ( -0.969 -2.916 -4.495) 5.445 3.312 ( 4.576 0.783 3.711) 5.944 3.777 ( -1.379 1.986 -2.773) 3.679 4.376 ( 0.439 1.610 -0.349) 1.705 4.882 ( -6.194 -0.298 7.493) 9.726 5.005 ( -5.791 -0.534 3.824) 6.960 6.368 ( -5.069 2.517 7.493) 9.389 7.902 ( -26.035 -0.421 27.461) 37.843 8.389 ( 12.452 3.559 -9.476) 16.047 10.012 ( 3.365 -0.813 -5.383) 6.400 11.114 ( -4.257 3.519 10.577) 11.932 11.618 ( -0.392 2.187 2.798) 3.573 14.013 ( -13.114 -6.396 4.249) 15.196 14.450 ( 0.392 1.179 0.325) 1.285 15.780 ( -0.505 4.346 0.165) 4.378 17.098 ( 8.669 2.165 2.198) 9.201 ======================= Grid point 120 (48/282) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -6.172 9.016 1.936) 11.097 0.835 ( -7.817 11.656 -9.954) 17.206 0.936 ( -8.821 7.550 10.859) 15.898 1.734 ( 1.514 -1.826 2.635) 3.546 2.095 ( 0.137 -3.768 -0.851) 3.865 2.424 ( 2.830 -3.246 0.335) 4.320 2.539 ( -4.214 0.502 -0.360) 4.259 2.772 ( 6.846 -1.233 -4.587) 8.333 2.970 ( -1.467 -1.941 -3.009) 3.870 3.354 ( 1.776 2.748 1.226) 3.494 3.700 ( -1.930 2.354 -3.653) 4.755 4.355 ( 0.180 1.607 -0.800) 1.804 4.849 ( -8.250 -0.728 4.695) 9.521 4.959 ( -6.804 -0.126 3.369) 7.594 6.322 ( -6.330 3.941 8.274) 11.138 7.876 ( -21.240 -2.902 33.181) 39.504 8.500 ( 9.149 -0.862 13.087) 15.991 10.010 ( 2.219 1.198 -2.595) 3.618 11.100 ( -3.775 2.647 7.553) 8.849 11.603 ( 0.509 1.895 -1.234) 2.318 13.965 ( -20.214 -10.855 8.109) 24.335 14.425 ( -2.425 1.875 0.894) 3.193 15.698 ( -2.326 6.449 0.415) 6.869 17.187 ( 7.707 2.567 0.598) 8.145 ======================= Grid point 121 (49/282) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -7.863 7.501 4.384) 11.718 0.587 ( 1.186 14.955 3.809) 15.478 0.835 ( -10.091 9.404 19.679) 24.032 1.770 ( -0.677 -0.664 1.195) 1.525 2.136 ( 1.898 -4.524 -4.166) 6.436 2.446 ( -1.434 -0.225 -3.382) 3.681 2.531 ( 1.654 -1.921 0.331) 2.556 2.819 ( 6.545 1.123 -5.898) 8.882 2.963 ( -0.130 -2.033 -0.825) 2.198 3.303 ( -1.886 4.734 -2.040) 5.489 3.634 ( -0.443 1.901 -1.674) 2.571 4.332 ( 0.136 1.257 -0.945) 1.579 4.772 ( -8.656 -0.581 0.458) 8.688 4.904 ( -6.050 0.557 3.871) 7.204 6.265 ( -6.750 3.828 8.952) 11.847 7.958 ( -7.119 -3.424 15.666) 17.545 9.023 ( -3.260 -29.721 70.513) 76.591 10.013 ( 1.048 0.800 4.661) 4.844 11.098 ( -2.382 0.304 6.835) 7.245 11.561 ( 0.295 1.231 -5.546) 5.689 13.869 ( -32.906 -13.089 11.613) 37.269 14.370 ( -2.833 3.603 2.684) 5.312 15.588 ( -2.462 7.008 -0.153) 7.429 17.207 ( 3.707 3.843 -7.617) 9.302 ======================= Grid point 122 (50/282) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -0.633 7.728 9.506) 12.267 0.580 ( 3.010 8.671 17.172) 19.472 0.841 ( -2.748 7.504 27.914) 29.036 1.757 ( -2.046 0.083 -0.375) 2.081 2.177 ( 2.702 -4.787 -6.226) 8.305 2.393 ( 0.998 1.815 -5.753) 6.115 2.561 ( -1.747 -2.455 0.539) 3.061 2.802 ( 3.737 4.812 -3.867) 7.216 3.005 ( 2.729 -2.395 -0.361) 3.648 3.199 ( -1.000 4.492 -3.494) 5.778 3.618 ( 1.362 1.174 0.366) 1.835 4.316 ( 0.316 0.711 -0.711) 1.054 4.675 ( -6.644 0.449 0.322) 6.667 4.868 ( -3.414 0.709 3.720) 5.098 6.215 ( -6.182 3.307 8.616) 11.108 8.012 ( 2.204 -1.419 -1.241) 2.900 9.799 ( 2.079 -12.445 2.487) 12.860 10.442 ( -34.190 -56.571 69.152) 95.662 11.174 ( -12.367 -11.324 7.900) 18.536 11.591 ( -1.462 -17.994 21.067) 27.744 13.644 ( -27.350 -1.709 11.825) 29.846 14.336 ( -0.280 3.358 4.209) 5.392 15.480 ( -1.220 5.791 -1.466) 6.097 16.960 ( -5.517 18.938 -21.020) 28.826 ======================= Grid point 125 (51/282) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 5.479 0.000 9.244) 10.746 1.087 ( -1.835 -0.000 12.645) 12.778 1.507 ( -0.455 -0.000 -4.534) 4.557 1.641 ( 0.412 0.000 0.597) 0.725 2.204 ( 0.360 0.000 -5.743) 5.754 2.247 ( 3.957 0.000 -6.454) 7.570 2.699 ( 0.999 0.000 7.151) 7.220 2.817 ( -4.892 -0.000 5.988) 7.733 2.947 ( 1.922 0.000 -3.720) 4.187 2.963 ( -0.253 -0.000 -7.255) 7.259 3.791 ( 3.401 0.000 0.356) 3.419 4.360 ( 2.000 0.000 0.318) 2.026 4.751 ( 2.692 0.000 4.986) 5.667 4.993 ( 0.243 0.000 4.351) 4.358 6.215 ( -1.247 -0.000 6.774) 6.888 8.220 ( 10.577 0.000 -5.303) 11.832 8.733 ( -43.524 -0.000 19.941) 47.875 9.897 ( 10.347 0.000 -14.915) 18.152 11.046 ( -4.919 -0.000 16.584) 17.298 11.671 ( -10.952 -0.000 13.729) 17.563 14.418 ( -0.392 -0.000 -11.489) 11.495 14.434 ( 3.941 0.000 1.017) 4.070 15.593 ( 14.138 0.000 -5.475) 15.161 16.687 ( 10.532 0.000 4.208) 11.342 ======================= Grid point 126 (52/282) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 5.587 0.636 6.692) 8.741 1.156 ( -1.790 -0.668 8.733) 8.940 1.418 ( -4.598 -0.411 -8.445) 9.625 1.658 ( 0.841 0.969 1.746) 2.166 2.131 ( -1.275 2.745 -4.126) 5.117 2.252 ( 1.980 -1.697 -5.339) 5.942 2.713 ( -1.624 0.577 -1.214) 2.108 2.789 ( -5.140 1.292 4.975) 7.269 2.907 ( -0.342 -2.428 -7.814) 8.189 3.026 ( 5.728 -2.077 5.551) 8.242 3.830 ( 2.720 0.212 -0.077) 2.730 4.389 ( 2.078 0.147 0.286) 2.103 4.822 ( 0.461 -0.123 6.853) 6.869 5.020 ( -1.931 -0.002 4.502) 4.899 6.277 ( 0.737 -1.329 6.618) 6.791 8.266 ( 0.513 5.950 1.029) 6.060 8.433 ( -21.653 -4.267 5.653) 22.782 9.912 ( 8.777 -1.324 -11.925) 14.866 11.120 ( -4.113 1.063 15.745) 16.308 11.659 ( -6.544 0.810 10.598) 12.482 14.274 ( -5.104 3.081 -8.027) 9.999 14.484 ( 3.477 1.241 0.720) 3.761 15.724 ( 12.155 -0.417 -4.002) 12.803 16.860 ( 10.579 -1.006 2.908) 11.018 ======================= Grid point 127 (53/282) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 4.742 3.449 3.262) 6.710 1.165 ( -5.957 1.594 0.905) 6.233 1.318 ( -2.924 -3.777 -4.838) 6.799 1.649 ( 0.283 3.892 1.115) 4.058 2.058 ( -2.772 1.432 -0.387) 3.144 2.255 ( 1.507 -1.688 -3.268) 3.974 2.661 ( -2.355 0.070 -3.132) 3.919 2.741 ( -5.587 0.613 2.681) 6.227 2.889 ( 0.164 -4.537 -6.736) 8.123 3.183 ( 7.210 -1.064 6.825) 9.985 3.846 ( 1.528 0.879 -1.126) 2.091 4.409 ( 1.588 0.650 0.022) 1.716 4.871 ( -2.962 -0.021 8.133) 8.656 5.020 ( -3.955 -0.054 4.354) 5.883 6.362 ( 1.741 -0.562 6.493) 6.746 8.081 ( -24.349 2.575 13.707) 28.061 8.413 ( 9.113 -0.308 -9.613) 13.250 9.947 ( 7.043 -1.484 -7.392) 10.317 11.173 ( -3.988 1.926 12.890) 13.629 11.662 ( -3.306 1.188 7.365) 8.160 14.105 ( -7.783 2.415 -4.534) 9.326 14.507 ( 3.041 2.764 0.960) 4.220 15.826 ( 8.357 0.687 -2.295) 8.694 17.012 ( 10.054 0.341 1.942) 10.245 ======================= Grid point 128 (54/282) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -7.304 5.652 -4.828) 10.421 1.097 ( 0.260 2.444 2.683) 3.639 1.281 ( -2.857 2.886 -3.710) 5.500 1.631 ( 1.819 1.488 2.352) 3.325 2.027 ( -3.169 -0.440 2.921) 4.332 2.283 ( 2.095 -2.497 -1.118) 3.446 2.600 ( -5.496 -0.559 -0.979) 5.611 2.703 ( -0.881 -1.025 -1.396) 1.943 2.895 ( -0.332 -4.537 -4.938) 6.714 3.326 ( 6.561 0.389 5.394) 8.502 3.824 ( 0.063 1.835 -2.721) 3.282 4.411 ( 0.876 1.243 -0.507) 1.603 4.881 ( -6.223 0.151 8.136) 10.244 4.998 ( -5.328 -0.087 4.018) 6.674 6.426 ( 1.194 2.096 6.002) 6.469 7.897 ( -24.663 0.013 20.352) 31.976 8.451 ( 12.151 1.789 -10.879) 16.407 9.994 ( 5.171 -0.579 -2.793) 5.906 11.186 ( -4.337 2.443 8.909) 10.205 11.664 ( -1.115 1.589 3.389) 3.905 13.959 ( -9.330 0.605 -0.535) 9.365 14.512 ( 2.176 3.402 1.338) 4.255 15.870 ( 4.439 3.021 -1.074) 5.476 17.136 ( 9.173 1.211 1.425) 9.362 ======================= Grid point 129 (55/282) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -9.172 5.579 -2.162) 10.951 1.084 ( -1.442 5.126 5.770) 7.851 1.121 ( -2.002 11.344 -3.949) 12.178 1.689 ( 2.246 -1.709 2.659) 3.878 2.031 ( -2.562 -1.649 3.059) 4.317 2.341 ( 2.244 -3.486 -0.540) 4.181 2.528 ( -6.173 -1.137 -0.557) 6.302 2.725 ( 3.330 -2.543 -2.596) 4.929 2.903 ( -0.800 -3.508 -2.899) 4.621 3.414 ( 3.938 2.194 2.881) 5.350 3.763 ( -0.581 2.726 -4.070) 4.933 4.394 ( 0.302 1.577 -1.100) 1.947 4.849 ( -8.254 0.432 6.560) 10.553 4.960 ( -5.804 0.157 3.867) 6.975 6.434 ( -0.892 4.935 5.473) 7.423 7.825 ( -22.127 -1.587 30.481) 37.699 8.504 ( 11.124 0.766 -6.048) 12.685 10.037 ( 3.264 1.054 0.742) 3.510 11.158 ( -4.649 2.215 4.838) 7.066 11.648 ( 0.136 1.759 -1.458) 2.289 13.850 ( -10.727 -0.762 3.556) 11.326 14.502 ( 0.854 4.004 2.121) 4.610 15.847 ( 1.413 5.691 -0.406) 5.878 17.230 ( 7.130 1.422 0.202) 7.273 ======================= Grid point 130 (56/282) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -4.492 6.811 5.132) 9.639 0.937 ( -1.109 13.892 2.225) 14.113 1.044 ( -2.025 7.912 9.057) 12.196 1.744 ( 0.211 -1.515 1.527) 2.162 2.049 ( -1.084 -2.596 0.633) 2.884 2.398 ( 0.822 -3.369 -1.793) 3.904 2.481 ( -2.781 -2.280 -0.896) 3.706 2.788 ( 4.562 -3.026 -3.159) 6.320 2.917 ( 0.180 -2.128 -0.178) 2.143 3.406 ( -0.536 3.918 -1.443) 4.210 3.697 ( 1.119 3.157 -3.042) 4.524 4.366 ( -0.002 1.528 -1.425) 2.089 4.779 ( -8.338 0.964 4.062) 9.325 4.919 ( -5.058 0.697 4.112) 6.555 6.388 ( -3.284 6.085 6.292) 9.349 7.882 ( -16.035 -2.562 32.236) 36.095 8.653 ( 4.061 -6.693 14.641) 16.603 10.061 ( 1.710 2.616 3.158) 4.443 11.109 ( -4.770 0.713 2.215) 5.307 11.597 ( 0.234 1.604 -6.714) 6.907 13.761 ( -11.588 0.145 7.021) 13.550 14.474 ( -0.382 4.906 3.425) 5.995 15.769 ( -0.380 7.765 -0.360) 7.783 17.268 ( 3.410 1.914 -3.221) 5.066 ======================= Grid point 131 (57/282) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 1.195 9.615 7.888) 12.494 0.827 ( 0.094 11.666 9.972) 15.347 1.035 ( 0.876 8.159 16.441) 18.375 1.752 ( -2.035 -0.751 0.010) 2.169 2.075 ( 0.640 -3.439 -2.234) 4.151 2.400 ( 0.502 -1.045 -4.113) 4.273 2.493 ( -1.646 -3.498 -0.671) 3.924 2.838 ( 3.594 -1.582 -4.095) 5.673 2.963 ( 2.800 -1.265 1.803) 3.562 3.303 ( -2.404 4.225 -5.145) 7.079 3.670 ( 2.791 3.085 -0.964) 4.270 4.339 ( 0.046 1.139 -1.246) 1.689 4.699 ( -6.055 1.544 2.532) 6.742 4.891 ( -3.138 1.098 4.046) 5.237 6.326 ( -4.614 5.765 7.853) 10.779 7.972 ( -6.721 -1.600 15.518) 16.986 9.050 ( -14.307 -25.169 48.153) 56.186 10.077 ( -0.795 2.238 6.730) 7.137 11.066 ( -6.577 -1.899 2.255) 7.208 11.514 ( 0.188 0.664 -8.415) 8.444 13.683 ( -6.517 3.378 8.517) 11.243 14.441 ( -0.361 5.152 4.544) 6.879 15.657 ( -0.763 8.598 -1.046) 8.695 17.193 ( -1.525 5.013 -9.160) 10.553 ======================= Grid point 132 (58/282) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 2.605 9.348 9.148) 13.336 0.817 ( -1.230 7.311 15.617) 17.287 1.164 ( 7.772 5.763 19.284) 21.575 1.720 ( -3.057 -0.382 -0.966) 3.229 2.106 ( 1.718 -3.844 -4.481) 6.148 2.382 ( 3.302 0.623 -6.768) 7.556 2.499 ( -3.607 -3.207 1.652) 5.101 2.845 ( 1.341 1.334 -1.565) 2.455 3.025 ( 3.135 -0.565 0.200) 3.192 3.192 ( -0.048 2.761 -7.485) 7.978 3.673 ( 3.446 2.248 -0.039) 4.115 4.323 ( 0.432 0.620 -0.692) 1.024 4.646 ( -2.415 1.606 2.248) 3.669 4.886 ( -0.685 1.103 3.621) 3.847 6.270 ( -4.861 5.159 8.381) 10.977 8.015 ( -0.156 -1.237 2.396) 2.701 9.505 ( -35.961 -30.730 43.609) 64.337 10.090 ( -12.518 -1.799 12.781) 17.980 10.999 ( -10.549 -1.152 2.851) 10.988 11.527 ( -1.856 -7.597 6.952) 10.463 13.729 ( 12.038 0.485 4.632) 12.907 14.428 ( 1.451 3.924 3.926) 5.737 15.542 ( 0.622 7.906 -2.161) 8.220 16.956 ( -3.892 13.002 -12.213) 18.258 ======================= Grid point 136 (59/282) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 6.824 0.000 5.020) 8.471 1.176 ( -4.725 -0.000 4.742) 6.695 1.266 ( -5.822 -0.000 -7.798) 9.731 1.702 ( 1.049 0.000 2.648) 2.848 2.084 ( -2.945 -0.000 -3.305) 4.427 2.230 ( 1.832 0.000 -3.504) 3.954 2.664 ( -2.204 -0.000 -3.965) 4.537 2.749 ( -8.482 -0.000 3.829) 9.306 2.825 ( 0.531 0.000 -6.719) 6.740 3.168 ( 8.347 0.000 7.596) 11.285 3.857 ( 1.997 0.000 -1.076) 2.269 4.416 ( 1.965 0.000 -0.105) 1.968 4.871 ( -2.764 -0.000 8.172) 8.627 5.020 ( -3.992 -0.000 4.402) 5.942 6.354 ( 3.658 0.000 6.584) 7.532 8.117 ( -27.397 -0.000 10.531) 29.351 8.404 ( 12.257 0.000 -7.920) 14.593 9.930 ( 7.827 0.000 -6.951) 10.468 11.196 ( -3.909 -0.000 12.484) 13.081 11.676 ( -3.871 -0.000 7.956) 8.848 14.141 ( -8.038 -0.000 -6.501) 10.338 14.545 ( 3.188 0.000 1.285) 3.437 15.834 ( 10.463 0.000 -3.337) 10.982 17.015 ( 10.934 0.000 2.385) 11.191 ======================= Grid point 137 (60/282) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -10.033 1.230 -6.834) 12.202 1.170 ( 3.805 3.709 4.197) 6.771 1.264 ( 0.773 -3.204 3.347) 4.697 1.706 ( -0.357 2.876 1.242) 3.153 2.027 ( -3.006 0.182 -0.165) 3.016 2.239 ( 2.050 -1.084 -1.632) 2.836 2.600 ( -3.255 0.670 -3.214) 4.623 2.667 ( -6.689 -1.847 -0.471) 6.955 2.810 ( 0.352 -2.009 -2.462) 3.197 3.331 ( 7.980 0.050 6.198) 10.105 3.856 ( 0.863 0.732 -2.633) 2.866 4.431 ( 1.331 0.451 -0.733) 1.585 4.885 ( -5.831 0.132 8.203) 10.065 4.998 ( -5.110 0.024 4.080) 6.539 6.460 ( 4.560 0.709 6.269) 7.785 7.900 ( -23.826 0.125 15.328) 28.331 8.478 ( 12.005 0.508 -10.344) 15.855 9.986 ( 6.288 -0.180 -1.375) 6.439 11.226 ( -4.077 0.868 7.759) 8.807 11.690 ( -1.636 0.547 3.914) 4.277 13.989 ( -8.459 1.058 -3.189) 9.102 14.581 ( 2.080 1.803 2.110) 3.468 15.918 ( 7.526 1.033 -2.287) 7.934 17.156 ( 9.571 0.484 1.321) 9.674 ======================= Grid point 138 (61/282) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -8.966 2.743 -2.279) 9.649 1.187 ( -0.016 3.787 5.613) 6.772 1.309 ( 2.225 3.501 0.178) 4.152 1.678 ( 0.184 1.229 0.989) 1.588 2.006 ( -3.003 -0.657 3.118) 4.378 2.276 ( 2.399 -1.836 -0.969) 3.173 2.510 ( -6.449 0.126 -1.477) 6.617 2.645 ( -0.762 -4.132 -2.786) 5.041 2.830 ( 0.224 -2.238 0.167) 2.256 3.453 ( 5.622 1.104 3.599) 6.766 3.818 ( 0.177 1.757 -3.998) 4.371 4.425 ( 0.581 0.973 -1.501) 1.881 4.861 ( -7.599 0.472 6.993) 10.338 4.965 ( -5.100 0.203 3.857) 6.397 6.532 ( 2.527 3.054 4.866) 6.276 7.797 ( -20.575 -0.759 26.236) 33.350 8.523 ( 11.231 0.668 -11.126) 15.823 10.058 ( 4.216 0.675 3.235) 5.357 11.202 ( -4.447 1.414 2.691) 5.387 11.680 ( -0.397 0.934 -1.471) 1.787 13.866 ( -7.427 1.284 1.232) 7.637 14.592 ( 1.053 3.136 3.076) 4.517 15.953 ( 4.405 3.092 -1.387) 5.558 17.259 ( 7.113 0.924 0.109) 7.174 ======================= Grid point 139 (62/282) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -3.407 4.690 5.888) 8.262 1.174 ( -3.889 5.538 9.517) 11.678 1.245 ( 3.826 9.193 -3.102) 10.430 1.703 ( 0.335 -1.759 1.331) 2.231 2.012 ( -2.835 -0.861 4.323) 5.241 2.319 ( 2.328 -2.585 -1.901) 3.964 2.433 ( -5.161 -1.508 -1.080) 5.484 2.686 ( 1.721 -5.288 -3.089) 6.362 2.872 ( 1.023 -1.591 2.801) 3.380 3.484 ( 0.485 2.570 -1.143) 2.854 3.769 ( 1.840 2.689 -3.270) 4.616 4.400 ( 0.093 1.269 -2.099) 2.455 4.806 ( -7.548 1.087 5.007) 9.122 4.935 ( -4.175 0.562 4.054) 5.847 6.527 ( -1.360 5.151 4.336) 6.869 7.841 ( -16.598 -1.075 35.655) 39.344 8.573 ( 8.566 -1.380 -6.002) 10.550 10.121 ( 2.190 2.175 6.061) 6.802 11.132 ( -4.780 1.190 -1.425) 5.128 11.629 ( -0.154 1.043 -7.243) 7.319 13.796 ( -5.392 2.060 5.609) 8.048 14.585 ( -0.002 4.132 4.106) 5.825 15.931 ( 1.805 5.554 -0.823) 5.897 17.306 ( 3.510 1.319 -1.839) 4.177 ======================= Grid point 140 (63/282) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 2.890 6.697 9.915) 12.309 1.096 ( -3.084 10.260 7.197) 12.907 1.208 ( 3.999 6.363 5.437) 9.276 1.721 ( -2.069 -1.673 0.036) 2.661 2.025 ( -1.839 -0.926 3.346) 3.929 2.357 ( 2.051 -2.242 -3.160) 4.384 2.407 ( -2.433 -3.297 -0.705) 4.158 2.750 ( 2.402 -5.193 -2.765) 6.355 2.940 ( 2.629 -0.955 4.155) 5.009 3.393 ( -3.486 3.287 -6.036) 7.707 3.750 ( 3.478 3.375 -1.495) 5.071 4.367 ( -0.008 1.216 -2.169) 2.487 4.740 ( -5.586 1.710 3.257) 6.689 4.917 ( -2.725 1.037 4.276) 5.176 6.467 ( -4.245 5.716 6.224) 9.457 7.956 ( -11.680 0.340 29.945) 32.144 8.702 ( 0.210 -7.834 12.543) 14.790 10.159 ( 0.983 3.733 6.766) 7.790 11.043 ( -5.355 -0.180 -2.955) 6.119 11.536 ( -0.079 0.930 -11.065) 11.104 13.773 ( -2.172 3.837 8.421) 9.506 14.563 ( -1.037 4.823 4.895) 6.949 15.857 ( 0.154 7.739 -0.736) 7.775 17.275 ( -0.761 2.434 -4.860) 5.488 ======================= Grid point 141 (64/282) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 3.483 9.746 7.158) 12.584 1.016 ( -2.166 8.935 9.460) 13.192 1.287 ( 7.196 4.312 11.878) 14.542 1.694 ( -4.073 -1.645 -1.398) 4.610 2.044 ( -0.517 -1.278 1.515) 2.048 2.374 ( 3.445 -0.843 -4.474) 5.709 2.420 ( -2.235 -3.521 -0.073) 4.171 2.815 ( 2.090 -3.530 -1.478) 4.361 3.017 ( 3.314 -0.355 2.939) 4.444 3.252 ( -3.135 2.400 -8.278) 9.171 3.743 ( 3.377 3.379 -0.926) 4.866 4.340 ( 0.269 0.827 -1.601) 1.822 4.689 ( -2.525 1.916 2.302) 3.917 4.915 ( -0.937 1.328 4.187) 4.492 6.401 ( -5.341 5.464 8.409) 11.362 8.012 ( -6.249 1.509 13.737) 15.167 8.951 ( -15.757 -15.510 32.668) 39.447 10.166 ( 0.563 4.974 4.399) 6.664 10.960 ( -7.058 -1.633 -0.819) 7.291 11.453 ( 1.448 -0.760 -8.038) 8.203 13.797 ( 3.335 4.371 8.299) 9.954 14.530 ( -1.528 4.537 4.711) 6.716 15.749 ( 0.064 8.937 -1.182) 9.015 17.148 ( -3.894 4.921 -7.758) 9.979 ======================= Grid point 142 (65/282) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 2.849 9.332 7.726) 12.445 0.990 ( -1.382 6.037 10.868) 12.509 1.443 ( 7.857 3.180 10.089) 13.177 1.651 ( -3.982 -2.317 -1.036) 4.723 2.063 ( 0.265 -1.630 -0.884) 1.873 2.385 ( 5.112 0.756 -7.147) 8.820 2.442 ( -2.054 -3.324 3.933) 5.544 2.847 ( -0.561 -0.795 0.161) 0.986 3.066 ( 2.604 0.844 -0.001) 2.738 3.140 ( -0.324 0.744 -8.747) 8.784 3.742 ( 3.215 2.426 -0.499) 4.058 4.330 ( 0.747 0.328 -0.676) 1.060 4.674 ( 0.493 1.589 2.201) 2.759 4.931 ( 0.556 1.250 3.937) 4.168 6.345 ( -5.289 5.370 9.104) 11.819 8.020 ( -2.285 -0.138 4.562) 5.104 9.121 ( -32.456 -14.765 32.890) 48.509 10.116 ( 1.765 6.499 -3.683) 7.675 10.907 ( -7.346 -2.068 5.718) 9.536 11.483 ( 0.162 -5.147 3.273) 6.102 13.906 ( 9.675 -0.099 4.862) 10.828 14.501 ( -1.240 2.716 2.842) 4.122 15.643 ( 2.277 8.536 -1.881) 9.033 16.955 ( -3.311 7.982 -7.691) 11.568 ======================= Grid point 147 (66/282) ======================= q-point: ( 0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -8.651 -0.000 -1.749) 8.826 1.249 ( -2.794 -0.000 7.100) 7.629 1.321 ( 7.058 0.000 1.963) 7.326 1.709 ( -2.506 -0.000 -0.101) 2.508 1.998 ( -2.202 -0.000 1.280) 2.547 2.255 ( 2.861 0.000 -0.713) 2.949 2.538 ( -7.751 -0.000 -2.285) 8.081 2.563 ( -0.511 -0.000 -3.272) 3.312 2.803 ( 0.072 0.000 2.305) 2.306 3.466 ( 6.269 0.000 3.835) 7.349 3.840 ( 0.408 0.000 -3.918) 3.939 4.437 ( 0.743 0.000 -1.695) 1.851 4.867 ( -7.337 -0.000 7.046) 10.172 4.967 ( -4.866 -0.000 3.810) 6.180 6.569 ( 3.729 0.000 4.951) 6.198 7.788 ( -19.821 -0.000 24.417) 31.449 8.531 ( 11.127 0.000 -12.101) 16.439 10.066 ( 4.561 0.000 4.147) 6.164 11.220 ( -4.137 -0.000 1.875) 4.542 11.691 ( -0.652 -0.000 -1.427) 1.569 13.885 ( -6.871 -0.000 0.421) 6.884 14.632 ( 0.657 0.000 3.465) 3.527 15.990 ( 5.605 0.000 -1.886) 5.914 17.270 ( 7.087 0.000 0.067) 7.087 ======================= Grid point 149 (67/282) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -3.298 1.685 6.565) 7.537 1.265 ( -2.630 2.273 8.682) 9.352 1.387 ( 3.292 2.536 -0.769) 4.226 1.676 ( -1.489 -0.393 0.325) 1.574 1.997 ( -1.762 -0.388 3.545) 3.978 2.288 ( 3.280 -0.357 -1.335) 3.559 2.423 ( -5.869 0.621 -2.390) 6.367 2.567 ( 0.866 -3.799 -2.703) 4.742 2.843 ( 0.396 -0.737 5.240) 5.306 3.525 ( 1.107 0.888 -0.931) 1.697 3.815 ( 2.019 1.036 -3.083) 3.828 4.422 ( 0.270 0.497 -2.625) 2.685 4.824 ( -7.141 0.427 5.285) 8.894 4.944 ( -3.690 0.208 3.853) 5.338 6.614 ( -0.543 1.968 3.468) 4.025 7.826 ( -15.275 -0.287 36.011) 39.118 8.557 ( 9.582 -0.205 -12.339) 15.624 10.157 ( 2.305 0.813 8.093) 8.454 11.156 ( -4.179 0.636 -3.511) 5.495 11.645 ( -0.505 0.313 -7.531) 7.555 13.835 ( -3.706 0.959 5.047) 6.335 14.656 ( -0.564 1.607 4.535) 4.845 16.021 ( 3.299 1.963 -1.269) 4.043 17.328 ( 3.534 0.501 -1.455) 3.855 ======================= Grid point 150 (68/282) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 2.869 3.330 11.133) 11.969 1.271 ( -3.569 4.298 10.001) 11.456 1.339 ( 1.140 4.431 -2.993) 5.467 1.686 ( -0.794 -1.030 0.996) 1.638 2.016 ( -1.861 -0.160 5.247) 5.569 2.321 ( 4.286 -0.396 -3.054) 5.277 2.352 ( -3.677 -1.318 -0.954) 4.021 2.622 ( 2.383 -5.047 -1.961) 5.916 2.914 ( 1.198 -1.126 6.498) 6.703 3.454 ( -4.146 1.811 -6.340) 7.789 3.817 ( 3.603 2.135 -1.221) 4.362 4.392 ( 0.168 0.808 -3.108) 3.215 4.773 ( -5.447 1.005 3.495) 6.550 4.936 ( -2.252 0.579 4.283) 4.873 6.578 ( -4.806 3.400 4.770) 7.577 7.978 ( -12.082 1.170 39.301) 41.132 8.587 ( 6.041 -2.754 -6.402) 9.224 10.232 ( 0.483 2.232 9.905) 10.165 11.051 ( -4.242 0.614 -6.937) 8.154 11.552 ( -0.321 0.342 -12.141) 12.150 13.850 ( -0.195 2.457 8.749) 9.089 14.655 ( -1.746 2.812 5.126) 6.102 16.003 ( 1.182 4.397 -0.628) 4.597 17.317 ( -0.562 1.204 -3.391) 3.642 ======================= Grid point 151 (69/282) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 4.680 5.783 8.307) 11.151 1.206 ( -4.373 6.431 5.097) 9.298 1.351 ( 3.760 0.903 5.374) 6.621 1.670 ( -3.167 0.224 -0.117) 3.177 2.037 ( -1.660 0.396 5.503) 5.762 2.341 ( -1.215 -2.753 -0.391) 3.035 2.359 ( 5.279 -0.259 -3.356) 6.261 2.706 ( 2.986 -5.051 -0.614) 5.899 2.999 ( 1.932 -1.184 5.529) 5.976 3.302 ( -5.569 1.755 -9.118) 10.827 3.820 ( 2.881 2.925 -0.886) 4.199 4.360 ( 0.345 0.800 -2.831) 2.962 4.730 ( -2.870 1.380 2.221) 3.883 4.944 ( -0.948 1.077 4.707) 4.921 6.512 ( -7.003 3.667 7.709) 11.041 8.089 ( -8.678 4.596 24.558) 26.448 8.692 ( -3.058 -7.841 11.840) 14.527 10.276 ( 0.078 3.948 8.320) 9.210 10.935 ( -4.793 -0.443 -6.302) 7.930 11.447 ( 1.060 -0.153 -12.435) 12.481 13.907 ( 2.712 4.368 10.210) 11.431 14.630 ( -3.095 3.616 5.012) 6.912 15.939 ( -0.239 6.729 -0.208) 6.736 17.229 ( -4.159 2.318 -5.468) 7.250 ======================= Grid point 152 (70/282) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.108 7.825 3.633) 8.881 1.135 ( -3.431 5.468 6.810) 9.383 1.474 ( 6.269 -1.482 6.455) 9.119 1.611 ( -4.489 0.571 -0.707) 4.580 2.054 ( -1.465 0.623 4.363) 4.645 2.366 ( -0.186 -2.643 0.016) 2.649 2.403 ( 6.522 0.577 -2.860) 7.145 2.790 ( 1.361 -3.694 0.285) 3.947 3.070 ( 1.979 -0.575 2.291) 3.081 3.150 ( -3.478 0.238 -9.163) 9.804 3.808 ( 2.027 2.900 -0.729) 3.612 4.339 ( 0.651 0.425 -1.839) 1.996 4.710 ( -0.235 1.336 1.781) 2.239 4.964 ( -0.010 1.417 4.845) 5.048 6.453 ( -7.475 3.500 10.050) 13.006 8.075 ( -5.896 4.900 9.976) 12.582 8.841 ( -14.849 -9.579 21.939) 28.170 10.267 ( 1.275 5.924 0.780) 6.109 10.855 ( -5.838 -2.006 0.722) 6.215 11.403 ( 2.950 -2.184 -6.190) 7.196 13.978 ( 4.901 5.130 9.216) 11.631 14.577 ( -4.325 3.555 3.872) 6.807 15.844 ( -0.239 8.019 -0.229) 8.026 17.082 ( -5.404 3.442 -6.465) 9.102 ======================= Grid point 153 (71/282) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.658 6.050 3.515) 7.028 1.108 ( -0.581 4.043 6.405) 7.596 1.546 ( -4.197 0.308 -0.367) 4.225 1.607 ( 4.572 -1.915 2.462) 5.535 2.056 ( -1.433 0.545 2.476) 2.912 2.380 ( 2.144 -0.251 -4.717) 5.188 2.475 ( 4.692 -0.581 4.071) 6.239 2.810 ( -2.100 -1.751 -1.802) 3.274 3.064 ( 1.038 -1.294 -6.530) 6.737 3.111 ( 1.371 1.102 -0.118) 1.763 3.796 ( 1.748 1.996 -0.363) 2.678 4.337 ( 0.958 -0.105 -0.595) 1.132 4.724 ( 1.738 0.915 2.430) 3.125 4.989 ( 0.139 1.386 4.738) 4.938 6.407 ( -6.951 3.843 10.489) 13.157 8.031 ( -3.979 1.615 5.274) 6.801 8.867 ( -22.916 -6.644 17.006) 29.300 10.180 ( 3.430 7.065 -9.252) 12.136 10.863 ( -5.596 -3.190 10.625) 12.425 11.463 ( 1.484 -4.387 2.862) 5.444 14.062 ( 5.901 2.954 6.216) 9.066 14.508 ( -4.809 2.187 1.800) 5.581 15.755 ( 1.696 7.310 -0.644) 7.532 16.932 ( -2.982 3.836 -5.130) 7.066 ======================= Grid point 159 (72/282) ======================= q-point: (-0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 2.553 -0.000 11.550) 11.829 1.319 ( -3.300 -0.000 10.010) 10.540 1.392 ( -2.582 -0.000 -3.798) 4.593 1.674 ( 0.845 -0.000 1.801) 1.989 2.014 ( -0.484 -0.000 4.388) 4.414 2.320 ( 3.315 -0.000 -0.967) 3.453 2.343 ( -2.664 -0.000 -3.841) 4.675 2.551 ( 2.574 -0.000 -0.886) 2.723 2.898 ( 0.306 -0.000 7.603) 7.610 3.476 ( -4.375 -0.000 -6.389) 7.743 3.844 ( 3.603 -0.000 -0.980) 3.734 4.402 ( 0.285 -0.000 -3.508) 3.520 4.785 ( -5.445 -0.000 3.566) 6.509 4.943 ( -2.035 -0.000 4.216) 4.681 6.619 ( -5.184 -0.000 4.207) 6.676 7.994 ( -11.793 -0.000 43.398) 44.972 8.555 ( 7.527 -0.000 -12.903) 14.938 10.259 ( 0.117 -0.000 11.239) 11.239 11.060 ( -3.719 -0.000 -8.412) 9.197 11.555 ( -0.456 -0.000 -12.527) 12.535 13.880 ( 0.489 -0.000 8.917) 8.931 14.689 ( -2.042 -0.000 5.200) 5.586 16.056 ( 1.651 -0.000 -0.618) 1.763 17.332 ( -0.497 -0.000 -3.037) 3.077 ======================= Grid point 161 (73/282) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 4.999 1.948 10.617) 11.896 1.291 ( -6.133 0.792 -3.062) 6.901 1.356 ( -2.382 0.391 8.458) 8.796 1.695 ( -0.043 1.046 1.336) 1.698 2.051 ( 0.146 0.482 5.081) 5.106 2.298 ( -1.081 -0.866 -1.133) 1.790 2.364 ( 6.167 0.441 -2.707) 6.750 2.607 ( 3.689 -2.659 0.389) 4.564 2.971 ( 0.303 -0.847 7.625) 7.678 3.331 ( -6.917 0.643 -9.496) 11.766 3.870 ( 2.496 1.173 -0.528) 2.808 4.374 ( 0.531 0.344 -3.696) 3.749 4.752 ( -3.136 0.473 2.126) 3.818 4.962 ( -0.772 0.390 4.953) 5.028 6.570 ( -8.519 1.236 7.038) 11.119 8.197 ( -10.947 3.473 39.382) 41.022 8.552 ( 3.403 -3.749 -6.956) 8.604 10.340 ( -1.278 1.383 11.755) 11.904 10.934 ( -3.424 0.152 -10.221) 10.780 11.442 ( 0.768 -0.158 -14.151) 14.173 13.983 ( 3.732 1.803 11.247) 11.986 14.690 ( -3.427 1.367 5.075) 6.275 16.050 ( -0.092 2.494 0.433) 2.533 17.265 ( -4.328 0.743 -4.704) 6.435 ======================= Grid point 162 (74/282) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.214 4.008 0.620) 4.061 1.211 ( -5.227 0.403 4.223) 6.732 1.419 ( 1.415 -1.625 7.092) 7.412 1.665 ( -1.706 2.785 0.621) 3.325 2.083 ( 0.110 1.534 4.809) 5.048 2.312 ( 1.271 -1.722 -0.180) 2.148 2.421 ( 7.333 0.755 -2.139) 7.676 2.697 ( 3.158 -3.485 1.198) 4.853 3.045 ( 0.390 -1.279 5.270) 5.437 3.153 ( -6.531 0.037 -10.426) 12.303 3.868 ( 0.956 1.987 -0.446) 2.250 4.349 ( 0.732 0.397 -3.013) 3.126 4.734 ( -0.805 0.679 1.352) 1.714 4.993 ( -0.226 0.950 5.638) 5.722 6.508 ( -10.109 1.331 10.231) 14.444 8.234 ( -7.282 7.990 15.027) 18.512 8.638 ( -7.152 -8.089 13.025) 16.918 10.379 ( -0.726 3.303 6.229) 7.088 10.821 ( -4.083 -0.816 -5.125) 6.603 11.365 ( 2.986 -1.155 -10.717) 11.185 14.101 ( 5.353 4.435 11.687) 13.598 14.654 ( -4.969 2.593 4.251) 7.035 16.003 ( -1.566 5.071 1.469) 5.507 17.136 ( -6.804 1.338 -6.004) 9.173 ======================= Grid point 163 (75/282) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -5.249 1.748 -2.828) 6.213 1.184 ( -3.876 2.036 5.122) 6.738 1.516 ( 0.978 -1.588 4.241) 4.633 1.622 ( 0.208 2.391 0.799) 2.529 2.093 ( -0.521 2.334 3.816) 4.504 2.354 ( 2.643 -1.436 -1.073) 3.193 2.489 ( 6.550 1.052 -0.052) 6.634 2.754 ( -1.192 -2.636 -1.453) 3.237 3.019 ( -0.951 -2.041 -7.379) 7.715 3.111 ( 0.672 -1.027 2.434) 2.726 3.846 ( 0.078 2.029 -0.237) 2.045 4.336 ( 0.825 0.053 -1.726) 1.914 4.741 ( 1.065 0.506 1.608) 1.994 5.023 ( -0.543 1.425 5.920) 6.113 6.462 ( -10.294 0.995 12.501) 16.224 8.136 ( -6.342 6.852 5.524) 10.848 8.709 ( -14.660 -6.898 13.167) 20.877 10.331 ( 1.264 5.347 -6.281) 8.345 10.792 ( -5.122 -2.540 7.630) 9.534 11.376 ( 4.007 -2.965 -3.146) 5.895 14.194 ( 5.286 6.947 10.492) 13.649 14.577 ( -6.308 3.285 2.815) 7.649 15.921 ( -2.330 6.556 1.746) 7.173 16.987 ( -6.126 1.008 -5.696) 8.426 ======================= Grid point 164 (76/282) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -5.839 -0.540 -2.405) 6.338 1.155 ( -3.713 0.438 3.181) 4.909 1.527 ( -1.413 2.211 3.493) 4.369 1.628 ( 0.940 -0.650 -3.079) 3.284 2.081 ( -1.318 2.478 3.170) 4.234 2.369 ( 2.048 0.527 -4.850) 5.291 2.559 ( 2.670 -0.575 4.334) 5.123 2.730 ( -0.644 -2.710 -5.332) 6.016 3.032 ( 3.217 -1.921 -2.203) 4.347 3.137 ( 1.002 0.491 0.419) 1.192 3.824 ( -0.074 1.243 -0.092) 1.248 4.340 ( 0.843 -0.519 -0.457) 1.090 4.776 ( 1.918 0.107 3.115) 3.660 5.041 ( -1.639 1.523 5.696) 6.120 6.431 ( -9.639 1.407 12.497) 15.845 8.043 ( -6.111 2.795 6.118) 9.088 8.649 ( -16.750 -4.358 4.339) 17.843 10.203 ( 2.764 5.805 -12.775) 14.301 10.866 ( -4.789 -3.570 14.981) 16.128 11.463 ( 2.040 -3.914 3.537) 5.656 14.235 ( 2.527 7.739 7.810) 11.281 14.480 ( -5.612 2.570 1.216) 6.291 15.833 ( -1.723 5.333 0.953) 5.684 16.890 ( -1.742 0.055 -3.156) 3.605 ======================= Grid point 171 (77/282) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -8.182 -0.000 -5.143) 9.664 1.182 ( 1.572 0.000 8.087) 8.238 1.406 ( -0.910 -0.000 9.084) 9.130 1.704 ( -1.256 -0.000 0.586) 1.386 2.106 ( 1.786 0.000 3.831) 4.227 2.291 ( 1.718 0.000 -0.419) 1.768 2.431 ( 7.129 0.000 -2.131) 7.441 2.652 ( 4.025 0.000 1.944) 4.470 3.026 ( -0.405 -0.000 7.004) 7.016 3.153 ( -7.868 -0.000 -11.170) 13.663 3.893 ( 0.520 0.000 -0.249) 0.577 4.355 ( 0.810 0.000 -3.484) 3.577 4.742 ( -1.004 -0.000 1.159) 1.533 5.005 ( -0.228 -0.000 5.947) 5.952 6.523 ( -11.282 -0.000 10.163) 15.184 8.402 ( -14.596 -0.000 38.150) 40.847 8.473 ( 1.933 0.000 -11.140) 11.306 10.418 ( -1.886 -0.000 8.945) 9.141 10.813 ( -3.220 -0.000 -8.038) 8.660 11.350 ( 2.882 0.000 -12.117) 12.455 14.158 ( 6.172 0.000 12.532) 13.970 14.687 ( -4.826 -0.000 4.322) 6.479 16.066 ( -1.684 -0.000 2.310) 2.859 17.151 ( -7.471 -0.000 -6.059) 9.619 ======================= Grid point 172 (78/282) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -8.890 -0.304 -4.915) 10.163 1.206 ( -5.933 0.157 5.378) 8.009 1.495 ( 3.142 -0.324 6.553) 7.274 1.679 ( -1.544 1.651 0.696) 2.365 2.147 ( 2.176 1.599 2.031) 3.379 2.327 ( 3.470 -0.697 -0.351) 3.556 2.503 ( 6.539 0.062 -1.097) 6.630 2.708 ( 0.229 -0.985 0.088) 1.015 2.984 ( -3.715 -0.742 -8.953) 9.722 3.078 ( -0.399 -1.144 4.819) 4.969 3.882 ( -1.016 0.865 0.026) 1.334 4.339 ( 0.791 0.093 -2.527) 2.649 4.748 ( 0.703 0.134 1.001) 1.231 5.049 ( -0.838 0.617 6.760) 6.840 6.469 ( -12.806 -0.067 13.360) 18.506 8.323 ( -5.561 8.125 1.430) 9.949 8.538 ( -13.255 -7.441 15.502) 21.711 10.419 ( -0.162 1.958 -3.950) 4.412 10.750 ( -4.698 -0.919 5.058) 6.964 11.326 ( 4.615 -1.153 -6.230) 7.838 14.328 ( 7.025 3.378 12.670) 14.877 14.641 ( -6.168 1.601 3.225) 7.142 16.044 ( -3.450 3.188 4.423) 6.452 16.991 ( -8.959 -0.263 -6.935) 11.333 ======================= Grid point 173 (79/282) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -9.383 -1.624 -4.990) 10.750 1.151 ( -8.729 -0.630 3.971) 9.611 1.560 ( 0.720 0.242 2.040) 2.177 1.649 ( -0.474 2.157 0.468) 2.257 2.153 ( 1.506 3.109 0.880) 3.565 2.372 ( 3.544 -0.119 -1.905) 4.025 2.560 ( 2.158 0.315 0.701) 2.291 2.663 ( -2.569 -2.519 -5.702) 6.743 2.977 ( 4.352 -2.292 -1.453) 5.129 3.123 ( 0.317 -1.254 2.452) 2.772 3.853 ( -1.749 1.038 0.114) 2.037 4.332 ( 0.611 -0.203 -1.283) 1.436 4.775 ( 1.794 -0.102 1.972) 2.668 5.076 ( -2.445 1.231 6.950) 7.470 6.434 ( -13.161 -0.695 15.743) 20.531 8.163 ( -7.478 6.688 2.006) 10.231 8.524 ( -14.918 -6.086 4.835) 16.821 10.316 ( 1.217 3.404 -13.102) 13.592 10.796 ( -5.307 -2.183 14.931) 15.996 11.383 ( 4.257 -2.591 0.373) 4.998 14.445 ( 5.504 8.217 11.849) 15.434 14.552 ( -6.762 2.956 2.003) 7.647 15.971 ( -5.724 6.164 4.808) 9.689 16.854 ( -6.402 -2.931 -5.310) 8.818 ======================= Grid point 174 (80/282) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -8.339 -4.151 -4.894) 10.523 1.085 ( -9.586 -2.393 3.765) 10.573 1.531 ( -4.779 -1.476 -6.953) 8.565 1.616 ( 0.513 3.953 2.035) 4.475 2.130 ( 0.365 3.748 0.926) 3.878 2.365 ( 1.185 1.704 -3.149) 3.771 2.585 ( -0.043 -1.959 3.092) 3.661 2.667 ( 2.593 -3.125 -4.918) 6.377 3.050 ( 3.921 -1.113 -1.289) 4.275 3.162 ( 2.087 -0.580 1.673) 2.736 3.821 ( -1.840 0.417 -0.245) 1.903 4.338 ( 0.455 -0.774 -0.339) 0.959 4.825 ( 1.595 -0.320 4.042) 4.357 5.073 ( -4.227 1.423 6.290) 7.711 6.411 ( -12.725 -0.351 15.308) 19.909 8.039 ( -10.613 2.586 9.696) 14.605 8.416 ( -10.765 -4.785 -5.917) 13.183 10.177 ( 1.839 3.682 -13.665) 14.272 10.899 ( -4.853 -3.287 16.487) 17.498 11.479 ( 2.024 -3.061 4.150) 5.539 14.400 ( -7.290 8.909 6.224) 13.087 14.498 ( 1.884 6.982 4.610) 8.576 15.852 ( -6.779 4.634 2.555) 8.599 16.837 ( 0.228 -4.952 -0.729) 5.011 ======================= Grid point 182 (81/282) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -10.472 -0.000 -4.522) 11.406 1.140 ( -10.567 -0.000 4.398) 11.445 1.560 ( 0.881 0.000 1.088) 1.400 1.682 ( -0.906 -0.000 1.737) 1.959 2.197 ( 3.382 0.000 -1.106) 3.559 2.370 ( 4.354 0.000 -0.433) 4.375 2.561 ( 4.052 0.000 -0.703) 4.112 2.633 ( -6.173 -0.000 -5.673) 8.384 2.946 ( 4.654 0.000 -1.200) 4.806 3.103 ( -0.184 -0.000 3.552) 3.557 3.867 ( -2.402 -0.000 0.240) 2.414 4.330 ( 0.504 0.000 -1.624) 1.700 4.773 ( 1.750 0.000 1.491) 2.299 5.091 ( -2.748 -0.000 7.509) 7.996 6.421 ( -14.611 -0.000 16.878) 22.324 8.297 ( -1.617 -0.000 -9.606) 9.741 8.401 ( -20.945 -0.000 15.034) 25.782 10.357 ( 0.860 0.000 -13.622) 13.649 10.769 ( -5.689 -0.000 15.208) 16.238 11.351 ( 4.922 0.000 -0.758) 4.980 14.552 ( 7.860 0.000 13.059) 15.242 14.592 ( -7.002 -0.000 2.309) 7.373 16.066 ( -5.319 -0.000 8.667) 10.169 16.801 ( -10.322 -0.000 -8.020) 13.071 ======================= Grid point 183 (82/282) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -10.927 -1.136 -4.188) 11.757 1.035 ( -13.269 -1.398 4.746) 14.161 1.504 ( -6.445 -0.659 -7.847) 10.176 1.686 ( 0.160 1.661 2.769) 3.233 2.209 ( 3.500 2.217 -2.873) 5.041 2.409 ( 3.185 1.692 -1.037) 3.753 2.542 ( -1.984 -1.522 -0.952) 2.675 2.599 ( 1.451 -1.960 -2.070) 3.199 3.024 ( 6.182 -0.716 0.097) 6.224 3.134 ( 0.745 -1.080 2.132) 2.504 3.831 ( -3.104 0.271 -0.090) 3.118 4.325 ( 0.183 -0.258 -0.767) 0.830 4.818 ( 2.421 -0.200 2.824) 3.725 5.100 ( -5.321 0.671 7.417) 9.153 6.393 ( -15.358 -0.712 19.951) 25.188 8.139 ( -10.874 5.482 1.958) 12.334 8.283 ( -12.975 -6.130 -2.128) 14.507 10.237 ( 0.965 1.314 -14.976) 15.065 10.844 ( -5.594 -1.238 17.073) 18.008 11.425 ( 3.668 -1.288 2.998) 4.909 14.506 ( -7.447 1.971 1.870) 7.927 14.719 ( 7.060 6.633 12.589) 15.885 16.022 ( -8.853 8.136 10.256) 15.803 16.662 ( -7.134 -8.011 -5.311) 11.970 ======================= Grid point 184 (83/282) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -9.655 -3.869 -3.682) 11.034 0.939 ( -14.494 -3.997 6.897) 16.541 1.299 ( -12.849 -2.418 -15.259) 20.094 1.695 ( 1.153 2.546 3.496) 4.476 2.187 ( 2.633 3.796 -2.786) 5.395 2.400 ( 1.838 2.900 0.468) 3.465 2.586 ( -1.263 -2.272 3.822) 4.623 2.623 ( 4.424 -3.738 -5.557) 8.026 3.071 ( 2.135 1.021 -2.107) 3.168 3.200 ( 4.015 -2.268 1.663) 4.901 3.785 ( -3.293 -0.173 -1.049) 3.461 4.329 ( 0.074 -0.795 -0.323) 0.861 4.878 ( 1.616 0.138 4.267) 4.565 5.070 ( -6.860 0.818 6.129) 9.235 6.374 ( -15.196 0.005 18.968) 24.305 7.987 ( -21.985 0.725 21.374) 30.671 8.203 ( 0.474 -5.473 -12.304) 13.475 10.114 ( 1.069 1.512 -12.903) 13.035 10.936 ( -5.095 -2.553 15.425) 16.444 11.508 ( 1.739 -1.794 3.909) 4.639 14.399 ( -7.392 3.742 2.835) 8.756 14.738 ( 0.830 16.539 10.504) 19.610 15.833 ( -12.235 8.204 4.680) 15.457 16.759 ( 2.146 -12.931 3.279) 13.512 ======================= Grid point 193 (84/282) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -11.533 -0.000 -2.441) 11.789 0.885 ( -16.787 -0.000 7.308) 18.309 1.266 ( -14.502 -0.000 -15.401) 21.154 1.726 ( 0.515 0.000 3.304) 3.344 2.240 ( 4.802 0.000 -5.532) 7.325 2.471 ( 3.759 0.000 0.277) 3.769 2.518 ( 0.836 0.000 1.408) 1.637 2.574 ( -1.216 -0.000 -1.847) 2.211 3.104 ( 7.161 0.000 -1.317) 7.282 3.147 ( 0.259 0.000 1.453) 1.476 3.784 ( -3.939 -0.000 -0.906) 4.042 4.319 ( -0.089 -0.000 -0.444) 0.452 4.880 ( 3.751 0.000 2.925) 4.756 5.080 ( -8.151 -0.000 7.072) 10.792 6.376 ( -16.232 -0.000 23.820) 28.825 8.007 ( -25.503 -0.000 16.748) 30.511 8.118 ( 0.431 0.000 -8.972) 8.983 10.132 ( 0.579 0.000 -14.029) 14.041 10.905 ( -5.549 -0.000 15.816) 16.761 11.485 ( 2.535 0.000 3.672) 4.462 14.442 ( -7.187 -0.000 1.820) 7.413 14.966 ( 8.450 0.000 12.104) 14.762 16.121 ( -9.261 -0.000 21.839) 23.721 16.425 ( -8.486 -0.000 -7.600) 11.392 ======================= Grid point 194 (85/282) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -10.550 -2.225 -0.261) 10.785 0.761 ( -18.784 -3.598 12.169) 22.669 0.930 ( -18.682 -2.762 -17.237) 25.569 1.753 ( 0.442 0.868 3.093) 3.243 2.235 ( 4.757 2.653 -6.169) 8.230 2.477 ( 2.132 3.877 2.130) 4.911 2.538 ( -3.448 -1.416 -1.057) 3.874 2.610 ( 5.193 -5.776 -1.143) 7.851 3.104 ( 1.296 4.343 -2.341) 5.101 3.216 ( 4.009 -4.287 -1.565) 6.075 3.721 ( -4.257 -0.273 -1.894) 4.667 4.317 ( -0.044 -0.520 -0.421) 0.671 4.938 ( 3.297 1.489 -0.294) 3.630 5.025 ( -8.258 -0.180 5.079) 9.697 6.356 ( -15.687 1.780 19.171) 24.835 7.954 ( -24.114 2.510 47.279) 53.133 8.113 ( 3.366 -6.733 3.142) 8.157 10.030 ( 0.766 -0.090 -11.820) 11.845 10.966 ( -5.231 -1.520 13.042) 14.133 11.540 ( 1.322 -0.632 2.329) 2.751 14.366 ( -6.279 1.315 2.623) 6.931 15.066 ( 3.855 17.339 11.016) 20.901 15.876 ( -17.317 24.714 9.599) 31.667 16.628 ( 3.862 -26.353 11.102) 28.856 ======================= Grid point 204 (86/282) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( -10.411 -0.000 4.351) 11.283 0.514 ( -21.728 -0.000 -12.260) 24.949 0.633 ( -21.112 -0.000 21.297) 29.988 1.778 ( -0.621 -0.000 2.126) 2.215 2.260 ( 5.801 0.000 -7.920) 9.817 2.468 ( -3.930 -0.000 -1.948) 4.386 2.571 ( 4.429 0.000 -0.502) 4.457 2.591 ( 0.907 0.000 2.507) 2.666 3.151 ( -1.510 -0.000 0.900) 1.758 3.162 ( 2.231 0.000 -9.377) 9.639 3.652 ( -3.893 -0.000 -1.354) 4.122 4.310 ( 0.099 0.000 -0.559) 0.567 4.949 ( 3.754 0.000 -14.126) 14.617 4.953 ( -8.958 -0.000 5.022) 10.269 6.304 ( -14.272 -0.000 9.714) 17.264 8.034 ( 4.234 0.000 -8.521) 9.515 8.727 ( 13.433 0.000 153.740) 154.326 9.944 ( 1.475 0.000 -11.093) 11.191 10.986 ( -5.646 -0.000 10.345) 11.785 11.558 ( 0.794 0.000 -0.351) 0.868 14.323 ( -5.183 -0.000 2.891) 5.935 15.319 ( 7.504 0.000 2.927) 8.055 16.178 ( -3.108 -0.000 -3.517) 4.693 16.482 ( 1.199 0.000 34.228) 34.249 ======================= Grid point 205 (87/282) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -1.378 -0.000 14.435) 14.501 0.864 ( 4.992 0.000 18.109) 18.785 1.360 ( -6.858 -0.000 25.458) 26.366 1.730 ( -2.485 -0.000 -1.858) 3.103 2.087 ( 7.057 0.000 -9.816) 12.089 2.191 ( -0.739 -0.000 -7.953) 7.987 2.637 ( -1.513 -0.000 1.566) 2.178 2.745 ( 5.215 0.000 2.200) 5.660 2.971 ( 0.596 0.000 -5.673) 5.704 3.098 ( -3.645 -0.000 -0.984) 3.775 3.634 ( 1.570 0.000 2.174) 2.681 4.289 ( 1.327 0.000 -1.348) 1.892 4.647 ( -2.267 -0.000 0.174) 2.274 4.960 ( -4.950 -0.000 6.016) 7.791 6.396 ( -10.407 -0.000 12.783) 16.484 7.816 ( 10.557 0.000 -12.855) 16.634 9.639 ( 3.981 0.000 -8.880) 9.731 10.891 ( -8.284 -0.000 -24.343) 25.714 11.154 ( -5.879 -0.000 10.214) 11.785 13.047 ( 49.005 0.000 -0.452) 49.007 14.323 ( -97.740 -0.000 7.501) 98.027 14.373 ( -3.825 -0.000 4.720) 6.075 15.367 ( -3.965 -0.000 -1.918) 4.405 16.199 ( 7.286 0.000 0.059) 7.286 ======================= Grid point 206 (88/282) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.716 -1.733 13.526) 13.656 1.066 ( 2.520 -1.371 15.668) 15.928 1.468 ( -3.311 0.424 14.735) 15.108 1.693 ( -2.164 -1.030 -0.910) 2.563 2.063 ( 4.343 3.063 -7.583) 9.260 2.160 ( 3.584 -3.189 -8.982) 10.182 2.638 ( -0.426 2.032 5.144) 5.548 2.828 ( 4.048 -0.421 1.336) 4.283 2.941 ( 1.513 -2.173 -6.774) 7.273 3.037 ( -3.714 0.099 -2.320) 4.380 3.681 ( 2.015 -0.235 3.092) 3.698 4.296 ( 1.515 -0.220 -1.407) 2.079 4.644 ( -0.017 -0.717 1.483) 1.647 4.974 ( -2.146 -0.551 6.764) 7.118 6.397 ( -9.113 -2.635 13.014) 16.105 7.853 ( 11.162 -0.729 -12.122) 16.494 9.635 ( 5.395 -1.386 -8.589) 10.237 10.478 ( -25.928 3.854 -16.999) 31.242 11.174 ( -5.618 1.055 12.919) 14.127 12.826 ( -52.583 29.040 19.086) 63.028 13.848 ( 9.935 -0.440 8.327) 12.970 14.397 ( -1.387 -3.772 3.095) 5.073 15.346 ( -0.009 -3.532 -2.812) 4.515 16.388 ( 7.376 -12.439 -2.516) 14.678 ======================= Grid point 207 (89/282) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 1.460 -3.187 11.094) 11.635 1.196 ( -2.369 0.477 13.584) 13.797 1.509 ( -0.919 -0.561 2.193) 2.443 1.680 ( -1.612 -0.278 0.130) 1.641 2.033 ( 3.205 1.069 -3.914) 5.170 2.179 ( 5.473 -2.658 -8.900) 10.781 2.665 ( 0.711 3.638 8.688) 9.445 2.841 ( -0.540 0.598 -3.962) 4.043 2.945 ( 2.399 -1.561 -6.681) 7.268 2.999 ( -0.890 -2.477 0.300) 2.649 3.737 ( 1.834 -0.516 3.300) 3.811 4.309 ( 1.949 -0.412 -1.561) 2.531 4.686 ( 2.485 -0.900 2.267) 3.482 5.025 ( -0.796 -0.873 7.470) 7.563 6.446 ( -8.481 -5.328 13.414) 16.740 7.902 ( 10.903 -0.568 -11.183) 15.629 9.635 ( -0.420 1.160 -5.119) 5.266 9.956 ( -31.667 1.849 -4.067) 31.981 11.204 ( -5.297 2.295 15.298) 16.351 12.175 ( -33.107 18.346 22.602) 44.085 14.038 ( 11.480 2.721 3.805) 12.396 14.459 ( -0.152 -3.916 1.006) 4.046 15.409 ( 3.962 -6.623 -2.261) 8.042 16.584 ( 6.869 -9.813 -4.060) 12.648 ======================= Grid point 208 (90/282) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.139 -1.899 6.548) 6.819 1.240 ( -3.332 1.326 10.249) 10.858 1.501 ( -2.340 -1.832 -2.553) 3.918 1.647 ( -1.099 1.916 -1.436) 2.634 2.057 ( 2.004 -1.548 0.526) 2.587 2.203 ( 4.809 -2.023 -7.752) 9.344 2.706 ( 0.771 3.617 8.054) 8.862 2.758 ( -1.374 2.316 -5.920) 6.503 2.940 ( 2.091 -2.417 -5.801) 6.623 3.047 ( 1.389 -2.467 1.298) 3.115 3.789 ( 1.095 -0.632 2.981) 3.238 4.327 ( 2.285 -0.330 -1.681) 2.856 4.758 ( 4.323 -0.345 2.600) 5.056 5.090 ( -1.191 -1.098 7.903) 8.067 6.527 ( -8.818 -6.889 13.896) 17.842 7.949 ( 10.411 -0.129 -10.174) 14.557 9.344 ( -33.400 6.661 10.358) 35.598 9.796 ( 1.835 -5.759 -8.379) 10.331 11.240 ( -4.966 2.982 15.949) 16.968 11.879 ( -15.304 10.203 14.765) 23.587 14.145 ( 4.072 0.358 4.666) 6.203 14.481 ( -2.857 -1.940 0.588) 3.503 15.550 ( 6.445 -7.565 -1.247) 10.016 16.720 ( 6.258 -5.295 -3.840) 9.053 ======================= Grid point 209 (91/282) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.732 2.739 1.454) 4.133 1.255 ( -3.883 1.456 6.187) 7.448 1.466 ( -3.380 -3.178 -4.243) 6.287 1.596 ( -1.524 1.815 0.077) 2.372 2.108 ( -0.676 -1.920 3.549) 4.091 2.220 ( 3.980 -1.718 -5.603) 7.084 2.648 ( -0.797 1.938 -6.431) 6.764 2.750 ( 0.900 3.789 5.829) 7.010 2.952 ( 1.900 -3.052 -5.408) 6.494 3.109 ( 3.320 -1.245 1.680) 3.924 3.823 ( -0.257 -0.364 2.117) 2.163 4.342 ( 2.155 0.130 -1.919) 2.889 4.835 ( 4.950 0.824 2.176) 5.470 5.147 ( -2.979 -1.468 8.056) 8.714 6.608 ( -10.364 -6.742 14.232) 18.853 7.997 ( 10.711 0.136 -9.860) 14.559 8.978 ( -33.190 3.915 17.537) 37.742 9.840 ( 4.913 -4.138 -7.132) 9.598 11.269 ( -4.949 3.141 14.465) 15.608 11.748 ( -7.321 6.079 8.795) 12.958 14.224 ( -1.891 -4.441 5.938) 7.652 14.461 ( -3.630 -0.804 1.629) 4.059 15.698 ( 4.719 -5.901 -0.494) 7.572 16.811 ( 6.525 -1.629 -2.480) 7.169 ======================= Grid point 210 (92/282) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -3.916 6.902 -0.244) 7.939 1.209 ( -6.534 0.552 1.817) 6.804 1.368 ( -8.217 1.400 -5.131) 9.788 1.614 ( 0.988 -2.154 3.773) 4.455 2.131 ( -2.669 -0.755 3.452) 4.428 2.264 ( 4.386 -2.344 -2.296) 5.478 2.590 ( 2.849 1.479 -5.239) 6.144 2.735 ( -2.835 2.919 2.758) 4.916 2.964 ( 1.442 -2.721 -5.115) 5.970 3.188 ( 5.611 0.051 1.826) 5.901 3.821 ( -2.143 0.263 0.681) 2.264 4.344 ( 1.687 0.651 -2.315) 2.938 4.889 ( 4.326 2.003 0.635) 4.809 5.180 ( -5.550 -1.768 7.925) 9.835 6.655 ( -12.730 -5.237 14.252) 19.814 8.038 ( 11.449 1.165 -13.025) 17.381 8.745 ( -29.675 0.824 30.066) 42.252 9.886 ( 4.897 -1.725 -5.131) 7.300 11.278 ( -5.392 2.987 11.630) 13.162 11.677 ( -3.928 3.908 4.182) 6.942 14.307 ( -8.284 -10.329 8.103) 15.523 14.454 ( -1.344 -0.957 2.517) 3.010 15.781 ( 0.563 -2.845 -0.336) 2.920 16.891 ( 7.857 0.756 -0.659) 7.921 ======================= Grid point 211 (93/282) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -4.421 8.270 2.560) 9.721 1.059 ( -11.927 1.752 -10.078) 15.713 1.233 ( -9.430 3.208 10.275) 14.310 1.696 ( 2.103 -2.789 2.999) 4.604 2.122 ( -2.502 0.110 1.385) 2.862 2.335 ( 4.605 -2.333 -1.556) 5.391 2.596 ( 5.355 1.114 -2.974) 6.226 2.668 ( -4.936 1.550 0.665) 5.217 2.966 ( 0.759 -2.152 -4.545) 5.085 3.264 ( 5.463 1.569 1.214) 5.812 3.774 ( -4.017 0.859 -1.059) 4.243 4.331 ( 1.246 0.944 -2.675) 3.098 4.900 ( 2.520 2.630 -1.804) 4.065 5.179 ( -8.193 -1.561 7.401) 11.151 6.650 ( -14.726 -3.148 13.735) 20.382 8.008 ( 8.035 3.571 -16.700) 18.873 8.790 ( -18.322 -5.872 48.422) 52.104 9.913 ( 4.341 1.115 -2.864) 5.319 11.259 ( -5.885 2.527 8.743) 10.837 11.619 ( -2.413 2.416 -0.043) 3.415 14.389 ( -10.578 -9.667 10.247) 17.617 14.503 ( -3.363 -8.784 3.416) 10.007 15.775 ( -3.463 -0.163 -0.309) 3.480 16.974 ( 8.837 2.747 0.106) 9.254 ======================= Grid point 212 (94/282) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -3.359 7.962 7.246) 11.277 0.772 ( -15.524 4.364 -4.949) 16.868 1.195 ( -10.439 2.660 17.091) 20.203 1.767 ( 1.382 -1.914 1.724) 2.924 2.094 ( -0.685 0.361 -2.207) 2.339 2.391 ( 4.642 -0.963 -4.735) 6.701 2.576 ( -3.698 1.304 0.916) 4.027 2.662 ( 4.426 -0.125 -0.735) 4.488 2.965 ( 0.263 -2.354 -3.253) 4.024 3.293 ( 2.704 3.391 -0.138) 4.339 3.694 ( -4.479 0.791 -2.024) 4.979 4.311 ( 1.064 0.933 -2.721) 3.067 4.859 ( -0.229 2.632 -3.819) 4.644 5.137 ( -10.006 -0.787 6.563) 11.993 6.597 ( -15.197 -0.868 12.795) 19.885 7.912 ( 6.106 3.960 -14.557) 16.274 9.247 ( -0.448 -16.555 54.774) 57.222 9.941 ( 5.280 2.815 5.983) 8.461 11.225 ( -5.637 1.783 6.972) 9.141 11.557 ( -1.692 0.995 -3.687) 4.177 14.431 ( -5.756 -1.827 8.061) 10.073 14.640 ( -14.511 -24.888 7.815) 29.850 15.706 ( -6.653 0.575 0.103) 6.678 17.027 ( 7.912 5.318 -2.846) 9.949 ======================= Grid point 213 (95/282) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -7.369 6.667 5.921) 11.567 0.597 ( -6.300 4.440 14.487) 16.410 1.193 ( -11.993 2.274 23.702) 26.661 1.795 ( -0.598 -0.593 0.076) 0.846 2.070 ( 2.662 -0.416 -6.034) 6.609 2.372 ( 1.306 1.326 -7.976) 8.190 2.564 ( -0.509 -1.753 2.246) 2.895 2.699 ( 3.351 2.182 -0.174) 4.003 2.981 ( 0.347 -3.150 -1.741) 3.616 3.244 ( -1.449 4.337 -1.559) 4.831 3.629 ( -2.339 0.267 -1.155) 2.622 4.294 ( 1.137 0.651 -2.315) 2.660 4.778 ( -2.712 2.063 -3.684) 5.018 5.066 ( -10.036 0.037 5.854) 11.619 6.516 ( -14.042 1.016 12.369) 18.740 7.840 ( 7.537 2.867 -13.376) 15.619 9.689 ( 3.057 -4.643 -1.110) 5.669 10.445 ( 27.201 -20.402 48.509) 59.239 11.202 ( -3.314 1.540 6.175) 7.175 11.526 ( 1.885 -2.758 1.490) 3.658 14.427 ( -4.844 1.218 6.291) 8.033 14.848 ( -24.026 -38.463 8.325) 46.108 15.611 ( -10.683 -2.309 0.971) 10.973 16.937 ( 1.532 12.683 -13.389) 18.506 ======================= Grid point 214 (96/282) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -4.779 1.856 13.702) 14.630 0.675 ( 2.368 3.605 19.506) 19.978 1.247 ( -10.702 0.914 27.923) 29.917 1.774 ( -2.063 0.102 -1.286) 2.433 2.072 ( 5.746 -1.243 -8.717) 10.514 2.284 ( -1.021 1.670 -8.131) 8.363 2.617 ( 0.554 -3.002 1.540) 3.419 2.699 ( 2.946 3.335 0.612) 4.492 2.999 ( 0.233 -1.475 -2.976) 3.329 3.157 ( -3.311 2.213 -1.060) 4.121 3.612 ( 0.149 0.140 0.534) 0.572 4.287 ( 1.266 0.277 -1.693) 2.132 4.696 ( -3.420 1.045 -1.774) 3.992 4.996 ( -8.060 0.336 5.643) 9.845 6.440 ( -12.159 1.414 12.556) 17.535 7.809 ( 9.236 1.414 -13.214) 16.183 9.678 ( 2.536 0.615 -8.353) 8.751 11.039 ( 4.685 -8.196 -9.284) 13.241 11.176 ( -3.435 2.311 0.534) 4.174 12.127 ( 50.057 -19.012 28.343) 60.585 14.395 ( -5.111 1.372 5.494) 7.628 14.998 ( -45.153 -44.554 -2.023) 63.466 15.504 ( -18.970 -7.124 0.806) 20.279 16.471 ( -7.000 32.697 -16.704) 37.378 ======================= Grid point 216 (97/282) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.816 0.000 11.849) 11.988 1.203 ( -0.089 -0.000 14.408) 14.408 1.514 ( -3.250 -0.000 4.883) 5.866 1.655 ( -1.366 -0.000 -0.195) 1.380 2.095 ( 5.881 0.000 -8.469) 10.311 2.108 ( 4.269 0.000 -7.099) 8.284 2.712 ( 0.579 0.000 8.318) 8.338 2.878 ( 1.602 0.000 -7.532) 7.700 2.887 ( 3.309 0.000 0.198) 3.315 2.969 ( -4.435 -0.000 -1.517) 4.687 3.732 ( 1.862 0.000 3.560) 4.017 4.303 ( 2.041 0.000 -1.867) 2.766 4.674 ( 2.856 0.000 2.423) 3.745 5.015 ( -0.471 -0.000 7.398) 7.413 6.379 ( -8.301 -0.000 12.719) 15.188 7.897 ( 12.538 0.000 -12.066) 17.401 9.634 ( 6.773 0.000 -7.895) 10.402 9.993 ( -39.184 -0.000 -4.689) 39.464 11.233 ( -5.314 -0.000 15.511) 16.396 12.426 ( -50.470 -0.000 21.861) 55.001 14.120 ( 20.607 0.000 -4.912) 21.184 14.385 ( 0.077 0.000 2.718) 2.719 15.327 ( 4.485 0.000 -2.757) 5.265 16.438 ( 10.619 0.000 0.908) 10.657 ======================= Grid point 217 (98/282) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.224 -0.856 9.206) 9.509 1.284 ( -3.538 1.489 12.393) 12.974 1.477 ( -3.159 -0.114 -3.006) 4.363 1.658 ( -0.507 -0.735 1.014) 1.352 2.069 ( 4.324 2.400 -4.827) 6.911 2.144 ( 5.120 -2.962 -7.292) 9.389 2.748 ( -1.360 0.406 -0.592) 1.538 2.848 ( 2.375 4.541 3.035) 5.956 2.887 ( -0.364 -1.442 -6.673) 6.837 2.970 ( -0.291 -3.882 3.743) 5.400 3.783 ( 1.416 -0.038 3.464) 3.742 4.317 ( 2.820 -0.327 -2.444) 3.746 4.750 ( 4.976 -0.224 3.262) 5.954 5.075 ( -0.564 -0.255 7.657) 7.681 6.404 ( -7.424 -2.905 12.649) 14.952 7.956 ( 13.164 0.331 -12.134) 17.906 9.469 ( -39.757 3.416 7.653) 40.631 9.684 ( 4.837 -3.180 -5.853) 8.232 11.292 ( -5.228 1.226 15.881) 16.765 12.070 ( -27.222 4.763 15.420) 31.647 14.221 ( 7.971 4.210 -3.680) 9.737 14.434 ( 1.133 -2.036 1.332) 2.683 15.415 ( 9.506 -3.236 -2.256) 10.293 16.604 ( 10.710 -3.409 -0.086) 11.240 ======================= Grid point 218 (99/282) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.514 0.945 5.505) 5.787 1.300 ( -4.154 2.085 8.356) 9.562 1.404 ( -4.469 -1.760 -4.528) 6.601 1.652 ( -0.319 2.209 0.484) 2.283 2.075 ( 1.825 -0.380 -0.321) 1.892 2.175 ( 3.990 -2.121 -5.688) 7.264 2.683 ( -1.487 1.023 -6.047) 6.311 2.848 ( -0.303 3.487 3.162) 4.717 2.864 ( -0.343 -2.910 -3.664) 4.692 3.064 ( 3.287 -2.627 4.434) 6.112 3.821 ( 0.558 0.135 2.687) 2.748 4.338 ( 3.251 -0.366 -2.960) 4.412 4.846 ( 5.419 0.208 3.654) 6.539 5.125 ( -2.252 -0.379 7.529) 7.867 6.467 ( -6.942 -4.624 12.672) 15.171 8.012 ( 13.414 0.853 -12.302) 18.221 9.049 ( -38.018 1.966 16.175) 41.363 9.755 ( 6.426 -2.702 -3.347) 7.733 11.332 ( -5.242 1.967 13.802) 14.894 11.873 ( -13.511 4.042 8.882) 16.666 14.207 ( -0.402 1.909 -0.853) 2.129 14.464 ( 0.390 0.657 2.145) 2.277 15.574 ( 10.259 -4.232 -1.614) 11.214 16.763 ( 10.147 -2.054 -0.748) 10.380 ======================= Grid point 219 (100/282) ======================= q-point: (-0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.840 5.225 1.886) 5.618 1.234 ( -7.588 1.215 -1.307) 7.795 1.370 ( -3.509 -1.012 1.812) 4.077 1.618 ( -0.168 2.767 1.451) 3.129 2.103 ( -1.374 -1.543 2.827) 3.501 2.210 ( 3.717 -2.152 -2.983) 5.230 2.615 ( 0.453 0.672 -5.525) 5.584 2.806 ( -3.938 2.548 1.708) 4.992 2.874 ( 0.372 -4.062 -4.295) 5.923 3.180 ( 5.990 -0.763 4.230) 7.373 3.832 ( -0.883 0.616 1.248) 1.648 4.353 ( 3.007 0.089 -3.462) 4.586 4.927 ( 3.971 1.132 2.903) 5.048 5.150 ( -4.670 -0.694 7.289) 8.684 6.540 ( -7.318 -4.246 12.731) 15.286 8.064 ( 13.973 1.037 -13.739) 19.624 8.758 ( -33.877 0.177 25.298) 42.281 9.844 ( 6.106 -1.585 -0.410) 6.322 11.341 ( -5.454 2.174 10.173) 11.746 11.762 ( -6.761 3.049 3.537) 8.217 14.168 ( -6.435 -1.895 2.534) 7.171 14.476 ( 0.864 2.284 3.384) 4.173 15.717 ( 7.247 -2.675 -1.078) 7.800 16.895 ( 9.977 -0.153 -0.430) 9.987 ======================= Grid point 220 (101/282) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.774 8.768 0.999) 8.859 1.095 ( -7.831 1.553 -5.563) 9.731 1.317 ( -6.814 3.595 6.195) 9.886 1.641 ( 1.973 -1.236 2.901) 3.719 2.117 ( -2.865 -0.730 3.424) 4.524 2.270 ( 3.583 -2.911 -0.983) 4.720 2.595 ( 2.617 -0.816 -3.816) 4.699 2.723 ( -5.621 2.447 0.065) 6.131 2.892 ( 0.509 -3.847 -4.156) 5.686 3.290 ( 6.425 0.710 3.010) 7.131 3.801 ( -2.743 1.363 -0.618) 3.125 4.351 ( 2.404 0.677 -3.836) 4.577 4.957 ( 1.229 2.051 0.850) 2.538 5.147 ( -6.955 -0.968 7.069) 9.964 6.587 ( -8.522 -2.113 12.994) 15.682 8.082 ( 11.930 2.579 -17.355) 21.217 8.665 ( -26.258 -4.465 39.506) 47.646 9.930 ( 5.298 0.412 1.998) 5.677 11.315 ( -5.931 1.983 6.493) 9.015 11.678 ( -3.567 2.368 -1.277) 4.467 14.147 ( -10.594 -6.243 6.640) 13.975 14.488 ( 0.773 2.543 4.033) 4.830 15.788 ( 3.207 0.444 -0.809) 3.337 17.011 ( 9.834 0.925 -0.230) 9.880 ======================= Grid point 221 (102/282) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -3.808 8.179 5.711) 10.677 0.903 ( -5.558 7.320 -6.816) 11.443 1.261 ( -7.819 3.176 12.417) 15.013 1.715 ( 2.346 -2.316 2.060) 3.888 2.105 ( -2.972 0.392 2.089) 3.654 2.341 ( 3.333 -3.070 -1.618) 4.812 2.602 ( -5.430 -0.814 -1.072) 5.594 2.652 ( 4.190 0.745 -1.873) 4.649 2.907 ( 0.415 -2.788 -3.014) 4.126 3.359 ( 4.329 2.312 1.024) 5.014 3.727 ( -3.837 1.900 -2.057) 4.750 4.335 ( 1.851 1.005 -3.835) 4.375 4.923 ( -1.824 2.600 -1.300) 3.432 5.118 ( -8.468 -0.693 6.658) 10.795 6.592 ( -9.891 0.512 13.485) 16.732 8.016 ( 7.229 4.474 -15.188) 17.405 8.891 ( -13.528 -12.949 48.882) 52.346 9.999 ( 4.222 2.223 4.903) 6.842 11.262 ( -6.188 1.237 4.238) 7.601 11.590 ( -2.122 1.664 -5.730) 6.332 14.162 ( -14.991 -10.758 10.636) 21.298 14.497 ( -0.342 2.618 4.528) 5.241 15.775 ( -0.106 3.650 -0.566) 3.695 17.102 ( 8.405 1.909 -2.001) 8.848 ======================= Grid point 222 (103/282) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -9.078 7.123 4.294) 12.312 0.765 ( 3.489 10.262 7.587) 13.230 1.249 ( -8.542 2.359 16.807) 19.000 1.770 ( 0.726 -1.515 0.408) 1.729 2.074 ( -1.623 0.741 -0.471) 1.845 2.379 ( 2.013 -1.222 -5.179) 5.690 2.534 ( -3.498 -1.002 0.105) 3.640 2.712 ( 5.008 -0.879 -1.401) 5.274 2.924 ( 0.869 -1.848 -0.786) 2.188 3.343 ( -0.472 3.881 -2.382) 4.578 3.650 ( -1.918 1.643 -1.228) 2.808 4.314 ( 1.520 0.964 -3.293) 3.753 4.838 ( -3.996 2.781 -1.978) 5.255 5.067 ( -8.698 0.091 6.147) 10.651 6.558 ( -10.544 2.614 13.850) 17.602 7.931 ( 6.984 4.620 -12.727) 15.235 9.389 ( -2.396 -19.520 37.998) 42.786 10.123 ( 3.691 -4.049 20.277) 21.004 11.216 ( -5.237 -0.252 4.095) 6.653 11.496 ( -1.472 0.125 -7.548) 7.691 14.191 ( -22.447 -15.237 13.943) 30.503 14.489 ( -1.861 3.431 5.397) 6.660 15.697 ( -2.432 5.947 -0.393) 6.437 17.116 ( 4.797 4.424 -7.365) 9.840 ======================= Grid point 223 (104/282) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -3.710 7.609 10.073) 13.158 0.811 ( 4.423 7.301 14.872) 17.148 1.277 ( -8.338 1.391 21.138) 22.766 1.772 ( -1.260 -0.414 -1.415) 1.939 2.050 ( 0.991 -0.099 -3.229) 3.380 2.328 ( 0.005 1.366 -8.003) 8.119 2.549 ( -0.155 -2.890 1.180) 3.126 2.754 ( 3.766 0.711 -1.607) 4.156 2.961 ( 1.725 -1.246 0.629) 2.219 3.233 ( -3.830 3.716 -4.875) 7.228 3.626 ( 0.681 1.251 0.658) 1.570 4.298 ( 1.396 0.665 -2.336) 2.802 4.740 ( -4.281 2.471 -1.022) 5.048 5.010 ( -7.367 0.799 5.921) 9.485 6.504 ( -10.332 3.860 13.813) 17.676 7.872 ( 8.118 3.789 -12.188) 15.126 9.671 ( 2.404 -3.203 -0.168) 4.008 10.627 ( 0.713 -26.086 25.187) 36.269 11.199 ( -4.067 -0.782 0.086) 4.142 11.565 ( 6.559 -16.130 16.858) 24.236 14.163 ( -35.163 -17.456 16.516) 42.590 14.465 ( -2.589 3.976 6.398) 7.966 15.576 ( -3.686 6.914 -0.724) 7.868 16.961 ( -0.400 11.735 -14.766) 18.865 ======================= Grid point 224 (105/282) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -0.965 4.372 13.717) 14.429 0.927 ( 4.193 4.674 16.225) 17.398 1.363 ( -5.434 0.195 21.586) 22.261 1.738 ( -2.009 0.260 -1.705) 2.648 2.047 ( 2.980 -1.528 -5.846) 6.737 2.239 ( 1.311 2.496 -9.082) 9.509 2.591 ( -1.019 -2.976 1.995) 3.725 2.780 ( 4.327 1.639 0.184) 4.631 2.983 ( 1.624 0.758 -2.418) 3.010 3.112 ( -3.831 1.360 -4.166) 5.820 3.641 ( 1.722 0.744 2.058) 2.784 4.294 ( 1.375 0.376 -1.528) 2.090 4.668 ( -2.689 1.665 0.362) 3.183 4.972 ( -4.842 0.959 6.154) 7.889 6.445 ( -9.764 3.974 13.458) 17.095 7.843 ( 9.500 2.308 -12.194) 15.629 9.667 ( 3.759 1.786 -7.466) 8.548 10.779 ( -12.039 -10.425 -14.767) 21.718 11.149 ( -6.022 -0.551 6.473) 8.859 12.368 ( 9.246 -48.113 26.884) 55.885 13.973 ( -43.183 -8.673 19.034) 47.982 14.437 ( -2.827 3.672 5.234) 6.991 15.444 ( -2.818 6.191 -1.816) 7.041 16.621 ( -0.126 20.708 -13.224) 24.570 ======================= Grid point 227 (106/282) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 3.158 0.000 6.888) 7.577 1.329 ( -4.645 -0.000 7.431) 8.763 1.386 ( -5.901 -0.000 -2.975) 6.609 1.678 ( 1.306 0.000 2.507) 2.827 2.087 ( 2.223 0.000 -5.123) 5.584 2.135 ( 4.760 0.000 -4.329) 6.435 2.697 ( -1.480 -0.000 -5.687) 5.876 2.808 ( -0.902 -0.000 -6.661) 6.722 2.927 ( -4.517 -0.000 3.866) 5.946 3.009 ( 6.127 0.000 7.643) 9.795 3.824 ( 0.745 0.000 2.938) 3.031 4.332 ( 3.752 0.000 -3.421) 5.077 4.848 ( 5.523 0.000 4.227) 6.955 5.122 ( -1.872 -0.000 7.283) 7.520 6.410 ( -5.473 -0.000 12.226) 13.396 8.024 ( 14.424 0.000 -13.576) 19.808 9.071 ( -40.185 -0.000 15.568) 43.095 9.722 ( 7.235 0.000 -1.853) 7.469 11.356 ( -5.534 -0.000 13.556) 14.642 11.923 ( -16.374 -0.000 8.858) 18.617 14.244 ( -0.717 -0.000 -5.029) 5.079 14.474 ( 2.914 0.000 3.277) 4.385 15.520 ( 12.585 0.000 -2.369) 12.806 16.735 ( 12.036 0.000 0.578) 12.050 ======================= Grid point 228 (107/282) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 3.628 1.759 4.347) 5.929 1.245 ( -7.149 -0.235 -5.458) 8.998 1.356 ( -4.960 0.053 8.635) 9.958 1.700 ( 1.059 2.696 1.585) 3.302 2.071 ( -0.040 -0.789 -1.572) 1.759 2.166 ( 3.588 -1.273 -2.852) 4.757 2.628 ( -1.195 0.484 -5.551) 5.699 2.764 ( -0.867 -2.724 -5.720) 6.394 2.880 ( -5.380 1.585 3.560) 6.643 3.158 ( 7.001 -0.737 6.386) 9.505 3.845 ( -0.284 0.324 1.609) 1.665 4.351 ( 4.091 -0.126 -4.247) 5.898 4.942 ( 3.584 0.268 4.439) 5.712 5.144 ( -4.069 -0.025 6.643) 7.791 6.468 ( -3.416 -1.636 12.094) 12.674 8.084 ( 14.826 0.514 -15.010) 21.104 8.757 ( -35.976 -0.128 23.106) 42.757 9.818 ( 6.975 -0.592 2.274) 7.360 11.376 ( -5.812 0.732 9.173) 10.884 11.813 ( -8.688 1.153 3.244) 9.345 14.166 ( -5.648 0.617 -1.693) 5.928 14.532 ( 2.618 1.747 4.443) 5.444 15.664 ( 11.617 -1.384 -2.209) 11.906 16.890 ( 11.792 -0.162 0.232) 11.795 ======================= Grid point 229 (108/282) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -3.899 4.158 0.117) 5.701 1.136 ( -1.680 1.858 -0.350) 2.529 1.371 ( -3.635 0.564 7.206) 8.090 1.671 ( 0.455 3.684 0.531) 3.750 2.082 ( -1.657 -2.139 1.857) 3.282 2.209 ( 3.000 -2.014 -1.262) 3.827 2.576 ( -0.305 -0.551 -4.320) 4.366 2.729 ( -4.510 -2.505 -3.923) 6.481 2.840 ( -1.956 0.372 2.055) 2.861 3.298 ( 7.286 0.060 4.550) 8.590 3.831 ( -1.699 1.020 -0.228) 1.995 4.361 ( 3.636 0.199 -4.854) 6.068 4.992 ( 0.058 0.908 3.291) 3.415 5.134 ( -6.069 -0.199 6.217) 8.690 6.551 ( -2.622 -1.010 12.203) 12.522 8.126 ( 14.377 1.174 -16.996) 22.292 8.585 ( -30.531 -2.300 33.356) 45.278 9.937 ( 6.281 0.180 5.312) 8.228 11.348 ( -6.140 0.873 4.462) 7.640 11.724 ( -4.425 1.432 -2.050) 5.083 14.081 ( -8.323 -0.482 2.921) 8.834 14.569 ( 1.864 3.538 5.450) 6.759 15.786 ( 8.371 -0.474 -1.820) 8.580 17.029 ( 10.832 0.593 -0.165) 10.850 ======================= Grid point 230 (109/282) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -9.050 3.990 3.730) 10.570 1.100 ( 4.146 7.765 -1.815) 8.987 1.350 ( -5.466 3.929 8.648) 10.959 1.674 ( 1.947 -0.609 1.213) 2.374 2.100 ( -2.514 -1.223 3.330) 4.348 2.263 ( 2.324 -2.972 -1.152) 3.945 2.557 ( -2.001 -1.951 -2.074) 3.480 2.660 ( -3.438 -1.385 -3.339) 4.989 2.854 ( 0.867 -0.911 1.175) 1.721 3.402 ( 5.692 1.310 2.155) 6.226 3.775 ( -2.807 1.981 -1.809) 3.883 4.355 ( 2.806 0.638 -5.032) 5.797 4.975 ( -3.320 1.700 1.320) 3.957 5.106 ( -7.201 -0.353 6.165) 9.486 6.615 ( -3.883 1.205 12.681) 13.317 8.112 ( 9.702 3.501 -15.646) 18.739 8.643 ( -20.211 -8.071 42.432) 47.688 10.047 ( 5.020 1.761 6.689) 8.547 11.282 ( -6.679 0.491 1.184) 6.801 11.628 ( -2.407 1.388 -7.128) 7.651 14.026 ( -9.971 -2.057 7.745) 12.792 14.588 ( 1.091 4.450 6.135) 7.657 15.845 ( 4.724 2.033 -1.420) 5.335 17.137 ( 9.032 1.186 -1.281) 9.199 ======================= Grid point 231 (110/282) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -6.669 5.713 8.962) 12.547 1.027 ( 5.428 10.741 -1.289) 12.104 1.316 ( -6.204 3.609 12.090) 14.060 1.726 ( 1.616 -2.048 0.490) 2.654 2.096 ( -2.693 0.743 2.915) 4.037 2.315 ( 1.611 -3.674 -2.161) 4.556 2.506 ( -5.831 -1.398 -1.163) 6.108 2.665 ( 3.015 -3.243 -3.092) 5.401 2.894 ( 1.944 -0.450 2.142) 2.928 3.424 ( 0.829 2.854 -2.151) 3.669 3.704 ( -1.180 2.643 -1.195) 3.131 4.336 ( 2.048 0.822 -4.551) 5.058 4.900 ( -5.265 2.348 0.078) 5.765 5.069 ( -7.270 0.008 6.128) 9.508 6.633 ( -6.209 3.450 13.665) 15.401 8.047 ( 7.260 5.003 -12.083) 14.958 8.957 ( -12.076 -15.265 46.229) 50.160 10.130 ( 3.191 2.484 7.867) 8.846 11.202 ( -7.029 -0.702 0.708) 7.099 11.513 ( -1.601 0.949 -10.971) 11.128 14.004 ( -11.782 -2.801 11.930) 16.999 14.593 ( 0.132 4.977 6.588) 8.258 15.832 ( 1.657 4.979 -1.038) 5.349 17.191 ( 5.872 2.280 -4.175) 7.558 ======================= Grid point 232 (111/282) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -2.282 8.523 9.237) 12.774 1.002 ( 5.830 8.602 6.914) 12.482 1.316 ( -5.583 2.193 14.097) 15.320 1.750 ( -0.657 -1.390 -1.454) 2.117 2.072 ( -1.638 1.665 1.702) 2.889 2.330 ( -0.148 -1.412 -4.999) 5.197 2.476 ( -2.091 -3.179 0.426) 3.828 2.724 ( 3.565 -3.160 -2.569) 5.412 2.947 ( 2.850 0.101 2.814) 4.006 3.321 ( -3.997 3.621 -6.652) 8.564 3.675 ( 1.588 2.834 0.783) 3.342 4.315 ( 1.574 0.691 -3.415) 3.823 4.803 ( -5.295 2.667 0.100) 5.929 5.030 ( -6.310 0.775 6.151) 8.846 6.612 ( -7.907 4.956 14.621) 17.345 7.981 ( 7.166 5.269 -10.843) 14.025 9.400 ( -7.231 -18.139 34.054) 39.256 10.233 ( -1.481 -4.085 15.362) 15.965 11.149 ( -6.880 -2.650 2.562) 7.805 11.408 ( -0.459 -1.487 -8.177) 8.324 13.985 ( -14.045 -1.472 15.015) 20.612 14.581 ( -1.017 5.471 6.620) 8.648 15.755 ( -0.632 7.548 -0.876) 7.625 17.144 ( 1.850 5.060 -8.809) 10.326 ======================= Grid point 233 (112/282) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.018 8.559 10.200) 13.316 1.059 ( 3.064 6.131 12.030) 13.846 1.370 ( -2.040 0.573 14.604) 14.757 1.726 ( -2.070 -1.116 -2.770) 3.633 2.050 ( 0.044 1.633 0.121) 1.638 2.279 ( 0.871 0.815 -7.503) 7.598 2.511 ( -1.464 -3.785 2.019) 4.532 2.784 ( 4.189 -1.662 -1.333) 4.699 2.999 ( 2.790 0.673 1.497) 3.237 3.163 ( -4.394 2.725 -8.359) 9.829 3.678 ( 2.104 2.468 1.761) 3.691 4.304 ( 1.407 0.433 -2.080) 2.549 4.719 ( -3.593 2.474 0.774) 4.431 5.001 ( -4.481 1.358 6.418) 7.945 6.567 ( -8.587 5.903 14.855) 18.145 7.923 ( 7.444 4.448 -10.681) 13.758 9.649 ( -1.824 -6.204 5.048) 8.204 10.408 ( -15.343 -15.586 11.885) 24.891 11.119 ( -6.999 -2.228 4.264) 8.493 11.532 ( 0.395 -18.171 16.447) 24.512 13.935 ( -13.514 2.358 16.214) 21.238 14.549 ( -1.775 5.543 5.672) 8.127 15.632 ( -1.583 9.048 -1.232) 9.267 16.971 ( -0.577 9.879 -12.360) 15.833 ======================= Grid point 234 (113/282) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.874 6.078 11.721) 13.232 1.120 ( -1.020 3.051 13.451) 13.830 1.468 ( 0.647 0.584 9.888) 9.926 1.696 ( -1.881 -1.385 -1.557) 2.808 2.033 ( 1.241 1.031 -2.166) 2.701 2.222 ( 3.753 1.963 -8.915) 9.870 2.565 ( -1.069 -3.746 4.944) 6.295 2.838 ( 3.087 -0.174 -0.211) 3.100 3.006 ( 2.073 2.739 -5.295) 6.312 3.037 ( -2.480 0.191 -3.930) 4.651 3.699 ( 2.056 1.472 2.651) 3.663 4.304 ( 1.499 0.339 -1.328) 2.031 4.675 ( -0.731 1.781 1.489) 2.434 4.997 ( -2.347 1.378 6.928) 7.444 6.508 ( -8.736 6.241 14.311) 17.891 7.890 ( 8.634 2.585 -10.807) 14.072 9.666 ( 0.999 -0.374 -4.976) 5.089 10.308 ( -26.279 -9.139 -5.553) 28.371 11.130 ( -6.071 -2.441 11.593) 13.313 11.981 ( -16.900 -32.163 27.974) 45.855 13.904 ( -1.795 4.206 12.835) 13.625 14.504 ( -1.446 4.917 3.410) 6.156 15.498 ( -0.142 8.747 -1.935) 8.960 16.733 ( 1.645 13.149 -10.282) 16.772 ======================= Grid point 238 (114/282) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -8.814 -0.000 -2.097) 9.060 1.165 ( 5.472 0.000 3.290) 6.385 1.370 ( -4.518 -0.000 9.031) 10.098 1.738 ( 0.239 0.000 -0.020) 0.240 2.045 ( -0.933 -0.000 -0.760) 1.203 2.183 ( 2.931 0.000 -1.086) 3.126 2.571 ( -1.157 -0.000 -4.845) 4.981 2.684 ( -3.398 -0.000 -3.985) 5.237 2.854 ( -4.138 -0.000 3.848) 5.651 3.298 ( 7.728 0.000 5.201) 9.315 3.844 ( -1.329 -0.000 -0.057) 1.330 4.363 ( 4.210 0.000 -5.251) 6.730 5.002 ( -0.327 -0.000 4.227) 4.240 5.133 ( -5.827 -0.000 5.786) 8.211 6.539 ( -0.275 -0.000 11.947) 11.951 8.140 ( 15.004 0.000 -16.773) 22.504 8.557 ( -31.647 -0.000 31.147) 44.404 9.939 ( 6.693 0.000 6.496) 9.327 11.358 ( -6.195 -0.000 3.650) 7.190 11.741 ( -4.761 -0.000 -2.304) 5.289 14.081 ( -7.751 -0.000 1.460) 7.888 14.618 ( 1.893 0.000 6.128) 6.414 15.778 ( 10.560 0.000 -2.514) 10.856 17.036 ( 11.272 0.000 -0.086) 11.272 ======================= Grid point 239 (115/282) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -8.441 1.443 4.259) 9.564 1.238 ( 5.448 3.685 2.119) 6.910 1.398 ( -3.195 -0.051 8.593) 9.168 1.705 ( -0.605 2.321 -1.650) 2.911 2.049 ( -1.178 -2.176 1.519) 2.903 2.217 ( 2.447 -0.926 -0.672) 2.702 2.527 ( -0.893 -0.518 -3.356) 3.511 2.605 ( -6.100 -2.001 -3.292) 7.215 2.857 ( -0.610 0.459 4.803) 4.863 3.422 ( 6.546 0.382 2.864) 7.155 3.810 ( -2.116 0.829 -1.472) 2.708 4.365 ( 3.541 0.192 -5.818) 6.813 5.001 ( -4.062 0.557 3.017) 5.090 5.101 ( -6.624 -0.079 5.442) 8.573 6.638 ( -0.117 0.578 12.031) 12.045 8.173 ( 13.748 1.485 -17.015) 21.925 8.511 ( -25.113 -2.960 40.119) 47.423 10.077 ( 5.773 0.693 8.327) 10.156 11.288 ( -6.580 0.105 -0.766) 6.625 11.651 ( -2.679 0.517 -7.859) 8.319 14.012 ( -8.041 0.082 6.223) 10.168 14.676 ( 0.690 2.265 7.136) 7.519 15.872 ( 8.015 0.448 -2.340) 8.361 17.158 ( 9.325 0.489 -1.073) 9.399 ======================= Grid point 240 (116/282) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -5.531 3.447 10.101) 12.021 1.242 ( 4.643 7.208 -0.575) 8.593 1.408 ( -3.967 3.201 8.722) 10.102 1.687 ( 0.962 -0.869 -0.312) 1.333 2.082 ( -1.500 -2.175 3.438) 4.336 2.246 ( 1.648 -1.464 -1.947) 2.940 2.478 ( -5.811 -0.664 -1.149) 5.960 2.569 ( 0.087 -4.257 -3.578) 5.562 2.900 ( 1.416 0.637 5.451) 5.668 3.475 ( 1.952 1.480 -1.743) 3.007 3.761 ( -0.637 1.965 -0.759) 2.201 4.351 ( 2.584 0.424 -5.674) 6.249 4.945 ( -6.064 1.327 1.690) 6.434 5.067 ( -6.281 -0.107 5.666) 8.460 6.706 ( -2.942 2.400 12.795) 13.346 8.159 ( 10.035 4.156 -13.334) 17.198 8.679 ( -16.489 -8.471 44.868) 48.546 10.191 ( 4.415 2.170 7.423) 8.905 11.189 ( -7.217 -0.388 -2.226) 7.562 11.531 ( -1.839 0.561 -12.440) 12.588 13.986 ( -7.278 0.318 10.893) 13.104 14.703 ( -0.250 3.760 7.452) 8.351 15.920 ( 5.059 2.408 -1.850) 5.901 17.231 ( 6.313 1.155 -2.897) 7.042 ======================= Grid point 241 (117/282) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.619 5.628 11.634) 13.025 1.198 ( 4.735 7.530 -0.541) 8.911 1.390 ( -4.225 3.898 10.322) 11.815 1.714 ( 0.103 -1.534 -0.530) 1.626 2.105 ( -1.739 0.384 3.793) 4.190 2.269 ( 1.164 -2.813 -2.871) 4.185 2.415 ( -4.417 -1.810 -0.519) 4.801 2.621 ( 2.673 -4.937 -2.226) 6.039 2.961 ( 2.464 0.822 5.056) 5.685 3.397 ( -3.872 2.610 -7.202) 8.583 3.747 ( 2.159 2.951 1.268) 3.870 4.329 ( 1.819 0.435 -4.648) 5.010 4.859 ( -6.083 1.950 1.101) 6.482 5.043 ( -5.192 0.347 6.091) 8.011 6.722 ( -6.200 4.060 14.402) 16.197 8.112 ( 8.154 5.652 -10.809) 14.672 9.010 ( -12.741 -13.344 44.770) 48.423 10.254 ( 2.639 3.012 4.661) 6.145 11.097 ( -7.776 -1.631 0.472) 7.959 11.397 ( -0.992 -0.033 -13.589) 13.625 13.998 ( -6.351 1.555 14.246) 15.675 14.705 ( -1.224 4.611 7.162) 8.606 15.909 ( 2.389 5.145 -1.231) 5.804 17.230 ( 2.521 2.488 -5.780) 6.779 ======================= Grid point 242 (118/282) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.315 7.904 8.024) 11.268 1.198 ( 3.169 5.213 5.630) 8.301 1.399 ( -1.258 2.101 10.070) 10.364 1.702 ( -2.338 -0.665 -1.948) 3.115 2.100 ( -0.825 2.006 2.907) 3.627 2.275 ( 0.982 -1.138 -4.732) 4.965 2.417 ( -1.844 -3.769 1.863) 4.591 2.706 ( 4.047 -4.481 -1.041) 6.127 3.019 ( 2.748 0.976 3.312) 4.413 3.229 ( -5.488 2.694 -9.927) 11.658 3.751 ( 2.316 3.449 1.766) 4.514 4.312 ( 1.412 0.246 -3.012) 3.336 4.776 ( -4.515 2.194 1.150) 5.150 5.032 ( -3.750 1.135 6.596) 7.672 6.703 ( -8.151 5.206 15.878) 18.592 8.050 ( 6.740 6.069 -9.764) 13.327 9.355 ( -13.226 -14.779 32.643) 38.196 10.265 ( -1.708 1.126 2.067) 2.908 11.052 ( -7.852 -2.855 5.809) 10.175 11.325 ( 1.254 -3.474 -5.332) 6.486 14.018 ( -5.409 3.985 15.703) 17.080 14.680 ( -2.456 5.161 6.168) 8.409 15.839 ( 0.393 7.967 -0.762) 8.013 17.136 ( -0.761 4.746 -8.933) 10.144 ======================= Grid point 243 (119/282) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.688 7.392 7.403) 10.484 1.208 ( -2.499 4.180 8.791) 10.050 1.482 ( 3.813 0.208 7.144) 8.101 1.654 ( -3.388 -1.089 -2.211) 4.190 2.087 ( -0.074 2.647 1.649) 3.119 2.254 ( 3.323 0.754 -6.852) 7.653 2.471 ( -1.255 -3.973 4.750) 6.319 2.799 ( 3.678 -3.078 -0.125) 4.798 3.049 ( -1.680 0.813 -4.175) 4.573 3.062 ( 0.313 1.969 -5.825) 6.156 3.754 ( 1.799 3.052 2.167) 4.153 4.309 ( 1.351 0.059 -1.535) 2.046 4.721 ( -1.860 1.946 1.425) 3.046 5.034 ( -2.248 1.679 7.162) 7.692 6.663 ( -8.903 6.268 16.286) 19.591 7.981 ( 6.003 5.095 -9.368) 12.238 9.526 ( -14.368 -10.977 13.565) 22.604 10.188 ( -9.016 0.324 -4.132) 9.923 11.065 ( -6.952 -2.954 11.357) 13.640 11.466 ( 0.112 -12.821 12.251) 17.734 14.030 ( -2.976 6.076 14.739) 16.218 14.625 ( -3.540 5.129 4.343) 7.596 15.727 ( -0.023 9.898 -0.740) 9.926 16.967 ( -1.357 7.021 -10.221) 12.475 ======================= Grid point 244 (120/282) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.147 5.168 7.511) 9.119 1.204 ( -4.209 1.563 9.786) 10.767 1.545 ( 0.828 2.031 1.165) 2.483 1.635 ( -1.096 -3.255 -0.779) 3.522 2.064 ( 0.500 2.861 0.652) 2.977 2.229 ( 5.104 1.689 -8.194) 9.800 2.568 ( 0.702 -4.101 8.130) 9.133 2.824 ( -2.377 -1.177 -3.938) 4.748 2.963 ( 2.852 -0.075 -7.065) 7.619 3.058 ( 1.591 2.247 -0.660) 2.832 3.764 ( 1.422 1.884 2.698) 3.585 4.317 ( 1.621 0.112 -1.032) 1.925 4.712 ( 1.395 1.222 1.846) 2.616 5.055 ( -1.215 1.650 7.683) 7.952 6.603 ( -9.148 7.205 15.416) 19.320 7.936 ( 7.269 2.647 -9.372) 12.152 9.511 ( -19.874 -8.897 6.633) 22.763 9.983 ( -8.866 4.117 -8.850) 13.186 11.136 ( -5.600 -3.193 15.149) 16.463 11.736 ( -9.101 -16.281 18.570) 26.320 14.062 ( 1.780 4.454 10.752) 11.774 14.550 ( -3.794 3.995 2.022) 5.869 15.611 ( 2.192 9.814 -1.033) 10.108 16.799 ( 1.576 7.497 -8.015) 11.087 ======================= Grid point 249 (121/282) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -5.279 -0.000 10.341) 11.610 1.345 ( 4.706 0.000 0.434) 4.726 1.434 ( -2.871 -0.000 9.300) 9.733 1.685 ( -1.004 -0.000 -2.093) 2.321 2.041 ( -0.224 -0.000 2.203) 2.214 2.234 ( 2.110 0.000 -1.241) 2.448 2.482 ( -7.334 -0.000 -2.184) 7.652 2.500 ( 0.768 0.000 -2.332) 2.456 2.910 ( 0.613 0.000 6.664) 6.692 3.493 ( 2.407 0.000 -1.548) 2.862 3.786 ( -0.450 -0.000 -0.459) 0.643 4.355 ( 2.824 0.000 -6.146) 6.764 4.961 ( -6.331 -0.000 2.341) 6.750 5.065 ( -5.941 -0.000 5.322) 7.976 6.736 ( -1.766 -0.000 12.393) 12.518 8.217 ( 14.110 0.000 -17.179) 22.231 8.571 ( -20.441 -0.000 47.461) 51.676 10.218 ( 4.870 0.000 7.909) 9.288 11.184 ( -7.028 -0.000 -3.388) 7.802 11.538 ( -2.002 -0.000 -12.922) 13.076 13.993 ( -6.252 -0.000 10.572) 12.282 14.750 ( -0.907 -0.000 7.804) 7.857 15.948 ( 6.519 0.000 -2.262) 6.901 17.245 ( 6.398 0.000 -2.600) 6.906 ======================= Grid point 251 (122/282) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -1.389 1.915 12.572) 12.793 1.340 ( 0.867 3.934 -2.612) 4.801 1.465 ( -3.021 1.693 8.481) 9.161 1.685 ( 1.156 -0.759 0.523) 1.479 2.075 ( -0.119 -1.724 3.309) 3.733 2.241 ( 1.904 0.078 -2.924) 3.490 2.389 ( -5.380 -0.502 -0.809) 5.464 2.523 ( 2.357 -2.600 -0.867) 3.615 2.976 ( 1.234 0.350 6.741) 6.862 3.439 ( -3.677 0.949 -7.278) 8.209 3.800 ( 2.319 1.268 1.891) 3.250 4.335 ( 2.047 0.128 -5.556) 5.922 4.891 ( -6.571 0.724 1.707) 6.827 5.047 ( -4.420 0.024 5.851) 7.332 6.791 ( -5.486 1.550 13.943) 15.063 8.226 ( 11.711 3.226 -14.581) 18.978 8.786 ( -15.639 -5.319 48.747) 51.470 10.314 ( 4.036 1.532 3.262) 5.410 11.072 ( -7.764 -0.480 -1.140) 7.862 11.396 ( -1.359 -0.036 -15.228) 15.288 14.030 ( -3.839 0.833 14.090) 14.627 14.783 ( -2.193 1.789 7.507) 8.023 15.991 ( 4.500 1.749 -1.594) 5.084 17.268 ( 2.743 0.780 -4.636) 5.443 ======================= Grid point 252 (123/282) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.416 4.734 9.355) 10.493 1.283 ( 0.293 1.934 -0.993) 2.194 1.467 ( -2.644 3.008 7.998) 8.945 1.701 ( -0.335 0.560 0.284) 0.712 2.118 ( -0.849 -0.842 3.701) 3.890 2.242 ( 2.421 -0.974 -4.051) 4.818 2.357 ( -1.606 -1.267 1.206) 2.375 2.600 ( 3.915 -3.870 0.329) 5.515 3.038 ( 1.529 0.536 5.036) 5.290 3.282 ( -6.445 1.644 -10.468) 12.402 3.826 ( 2.219 2.527 2.257) 4.051 4.316 ( 1.546 0.056 -4.048) 4.333 4.817 ( -5.276 1.231 1.392) 5.594 5.051 ( -2.834 0.517 6.636) 7.234 6.800 ( -8.586 2.893 16.203) 18.564 8.192 ( 8.559 5.399 -11.589) 15.386 9.069 ( -15.172 -8.831 42.029) 45.548 10.328 ( 3.043 2.742 -4.671) 6.213 11.002 ( -8.238 -1.335 6.186) 10.388 11.278 ( 0.520 -1.120 -11.742) 11.807 14.101 ( -1.854 2.703 15.885) 16.220 14.779 ( -3.421 2.980 6.508) 7.933 15.989 ( 2.486 4.450 -0.568) 5.129 17.214 ( -0.967 2.054 -7.029) 7.386 ======================= Grid point 253 (124/282) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.037 5.529 3.219) 6.481 1.287 ( -1.119 1.620 4.295) 4.725 1.486 ( 0.636 0.804 6.466) 6.547 1.667 ( -2.231 1.911 -0.311) 2.954 2.132 ( -0.710 0.899 2.607) 2.848 2.253 ( 3.347 -0.935 -5.165) 6.225 2.395 ( 0.862 -1.917 4.234) 4.727 2.708 ( 4.427 -4.107 1.000) 6.121 3.071 ( -2.275 0.964 -3.112) 3.974 3.098 ( -2.347 1.014 -6.568) 7.048 3.831 ( 1.223 3.172 2.178) 4.037 4.308 ( 1.295 -0.132 -2.200) 2.557 4.761 ( -2.984 1.318 1.296) 3.510 5.071 ( -1.654 1.336 7.379) 7.680 6.785 ( -10.169 3.889 18.009) 21.044 8.121 ( 5.638 6.323 -9.725) 12.898 9.265 ( -18.539 -9.579 27.492) 34.515 10.250 ( 0.932 3.305 -11.066) 11.586 11.003 ( -7.675 -1.961 12.949) 15.180 11.278 ( 2.885 -4.659 -0.156) 5.482 14.171 ( -0.729 5.401 15.885) 16.794 14.734 ( -4.900 3.894 4.981) 7.999 15.938 ( 0.849 7.516 0.380) 7.574 17.086 ( -3.226 3.370 -8.879) 10.030 ======================= Grid point 254 (125/282) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.693 3.306 1.858) 4.651 1.264 ( -3.946 2.996 5.702) 7.554 1.557 ( 2.394 -1.506 2.625) 3.858 1.611 ( -2.467 2.311 0.243) 3.389 2.127 ( -0.538 1.971 2.208) 3.008 2.255 ( 4.364 0.289 -6.882) 8.155 2.488 ( 2.453 -2.332 6.947) 7.727 2.782 ( -1.549 -2.327 -1.980) 3.426 2.943 ( 0.788 -1.281 -8.781) 8.909 3.100 ( 1.710 1.251 -0.526) 2.183 3.823 ( 0.460 2.869 2.252) 3.676 4.314 ( 1.266 -0.295 -0.918) 1.591 4.738 ( -0.061 0.912 1.328) 1.612 5.099 ( -1.134 1.927 7.948) 8.257 6.754 ( -10.679 5.156 18.311) 21.815 8.033 ( 4.353 5.392 -8.695) 11.118 9.288 ( -23.001 -8.837 15.127) 28.913 10.100 ( 0.006 4.812 -13.776) 14.593 11.065 ( -6.398 -2.546 16.073) 17.486 11.441 ( 1.154 -9.028 10.816) 14.136 14.214 ( -0.018 7.558 14.090) 15.989 14.649 ( -6.285 4.274 3.194) 8.245 15.846 ( 0.335 9.556 0.615) 9.582 16.930 ( -2.287 3.760 -8.639) 9.695 ======================= Grid point 255 (126/282) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -4.332 0.655 1.247) 4.556 1.240 ( -3.490 1.196 6.593) 7.555 1.554 ( -2.280 2.728 -0.280) 3.566 1.597 ( -0.067 -1.679 -1.194) 2.061 2.114 ( -0.478 2.503 2.945) 3.895 2.241 ( 4.358 1.188 -7.334) 8.614 2.619 ( 2.850 -3.102 8.096) 9.126 2.710 ( -3.458 -2.045 -7.445) 8.460 2.965 ( 4.396 -0.682 -3.763) 5.827 3.095 ( 1.787 1.674 -0.991) 2.641 3.817 ( 0.074 1.733 2.342) 2.914 4.328 ( 1.531 -0.277 -0.852) 1.774 4.763 ( 3.008 0.054 1.592) 3.404 5.127 ( -1.588 1.969 8.234) 8.614 6.696 ( -10.926 6.702 16.652) 21.014 7.978 ( 6.375 2.535 -8.352) 10.808 9.174 ( -28.645 -7.288 12.816) 32.216 9.936 ( 2.231 5.693 -12.216) 13.661 11.164 ( -5.249 -3.149 16.445) 17.548 11.640 ( -4.039 -9.309 12.592) 16.172 14.230 ( 0.356 7.191 10.541) 12.765 14.541 ( -6.493 3.358 1.715) 7.508 15.748 ( 1.821 8.879 0.088) 9.064 16.822 ( 1.688 3.037 -5.884) 6.833 ======================= Grid point 261 (127/282) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 1.598 -0.000 11.493) 11.604 1.303 ( -4.175 -0.000 -4.426) 6.085 1.507 ( -2.874 -0.000 7.300) 7.846 1.712 ( 1.319 -0.000 1.616) 2.086 2.096 ( 0.681 -0.000 2.971) 3.048 2.234 ( 1.668 -0.000 -4.531) 4.828 2.345 ( -0.900 -0.000 1.394) 1.659 2.550 ( 3.901 -0.000 1.228) 4.090 3.044 ( 0.783 -0.000 5.916) 5.968 3.302 ( -6.803 -0.000 -10.608) 12.603 3.858 ( 2.116 -0.000 2.579) 3.336 4.316 ( 1.662 -0.000 -4.531) 4.826 4.832 ( -5.606 -0.000 1.483) 5.799 5.057 ( -2.389 -0.000 6.624) 7.041 6.835 ( -8.917 -0.000 16.232) 18.520 8.265 ( 10.576 -0.000 -14.549) 17.987 8.959 ( -16.258 -0.000 46.132) 48.913 10.363 ( 4.049 -0.000 -6.546) 7.698 10.987 ( -8.396 -0.000 6.476) 10.603 11.264 ( 0.187 -0.000 -13.299) 13.300 14.134 ( -0.680 -0.000 16.004) 16.019 14.815 ( -3.845 -0.000 6.616) 7.652 16.042 ( 3.411 -0.000 -0.527) 3.452 17.238 ( -1.022 -0.000 -6.471) 6.551 ======================= Grid point 263 (128/282) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -4.306 3.656 -0.485) 5.669 1.274 ( 0.366 -2.035 5.522) 5.896 1.519 ( -2.421 1.177 6.101) 6.668 1.717 ( -0.805 1.560 0.617) 1.861 2.131 ( 0.279 -0.534 2.488) 2.560 2.225 ( 2.800 -0.875 -4.779) 5.608 2.381 ( 3.116 0.099 3.185) 4.457 2.632 ( 4.745 -1.894 2.162) 5.548 3.089 ( -0.527 0.474 2.132) 2.247 3.111 ( -6.812 0.180 -10.880) 12.838 3.888 ( 0.707 1.374 2.432) 2.881 4.305 ( 1.446 -0.078 -2.857) 3.203 4.781 ( -3.719 0.440 1.205) 3.934 5.093 ( -1.012 0.480 7.541) 7.624 6.845 ( -11.507 1.236 18.901) 22.163 8.244 ( 7.141 3.216 -12.393) 14.660 9.104 ( -19.082 -3.672 34.171) 39.310 10.308 ( 3.727 1.320 -15.464) 15.961 10.976 ( -8.260 -0.443 14.735) 16.898 11.208 ( 2.730 -1.436 -5.085) 5.948 14.265 ( 1.481 2.167 16.442) 16.650 14.799 ( -5.242 1.434 5.260) 7.564 16.063 ( 2.098 2.820 1.108) 3.685 17.136 ( -4.302 1.002 -8.252) 9.360 ======================= Grid point 264 (129/282) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -6.696 1.503 -1.505) 7.025 1.316 ( -2.526 1.031 4.546) 5.302 1.542 ( 0.414 0.173 4.649) 4.671 1.677 ( -1.438 2.804 0.398) 3.176 2.150 ( -0.306 0.167 1.839) 1.871 2.241 ( 4.339 -1.126 -5.514) 7.106 2.463 ( 4.445 -0.087 4.994) 6.686 2.724 ( 1.475 -2.230 1.000) 2.854 2.919 ( -3.901 -0.589 -11.226) 11.900 3.116 ( 0.716 0.188 0.724) 1.036 3.886 ( -0.555 2.172 2.162) 3.114 4.306 ( 1.218 -0.250 -1.264) 1.773 4.754 ( -1.246 0.389 0.935) 1.606 5.139 ( -0.684 1.321 8.215) 8.348 6.839 ( -12.771 2.130 20.853) 24.546 8.166 ( 3.727 5.032 -10.379) 12.122 9.121 ( -22.611 -5.063 20.145) 30.704 10.187 ( 3.181 2.378 -17.949) 18.383 11.024 ( -7.341 -0.883 17.674) 19.158 11.288 ( 3.646 -4.250 5.501) 7.850 14.379 ( 2.294 5.561 15.600) 16.719 14.738 ( -6.677 2.856 3.861) 8.225 16.041 ( 0.467 6.482 2.548) 6.980 16.985 ( -5.415 1.121 -9.036) 10.594 ======================= Grid point 265 (130/282) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -8.280 -0.401 -1.421) 8.411 1.281 ( -4.897 1.789 4.184) 6.685 1.573 ( -0.335 -0.481 0.151) 0.605 1.630 ( -1.009 3.456 1.079) 3.758 2.152 ( -1.189 0.671 2.205) 2.593 2.257 ( 5.255 0.182 -6.558) 8.406 2.570 ( 3.842 -1.118 6.120) 7.312 2.668 ( -5.519 -1.340 -6.472) 8.610 2.918 ( 5.595 -2.758 -2.787) 6.832 3.121 ( 1.394 0.510 -1.234) 1.930 3.865 ( -1.316 2.054 1.861) 3.069 4.318 ( 1.054 -0.452 -0.525) 1.262 4.760 ( 1.544 -0.206 0.732) 1.721 5.176 ( -1.517 2.017 8.508) 8.874 6.819 ( -13.212 3.540 20.600) 24.727 8.065 ( 2.951 4.371 -8.973) 10.408 9.020 ( -25.669 -5.487 14.338) 29.910 10.047 ( 3.316 3.437 -16.241) 16.929 11.103 ( -6.240 -1.824 17.478) 18.648 11.456 ( 1.328 -6.164 10.278) 12.058 14.439 ( 1.780 9.175 13.431) 16.363 14.633 ( -7.867 4.032 3.025) 9.343 15.961 ( -1.507 9.047 2.266) 9.447 16.857 ( -2.390 -0.145 -7.148) 7.538 ======================= Grid point 266 (131/282) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -7.982 -3.006 -1.171) 8.609 1.241 ( -5.273 0.304 4.795) 7.133 1.512 ( -5.104 0.050 -7.216) 8.839 1.606 ( -0.038 2.925 3.769) 4.771 2.144 ( -2.097 0.854 2.986) 3.747 2.260 ( 4.912 1.620 -5.024) 7.211 2.595 ( -0.840 -2.311 -5.675) 6.185 2.677 ( 1.511 -2.440 5.011) 5.774 2.982 ( 4.083 -0.546 -3.348) 5.309 3.130 ( 3.165 0.563 -0.662) 3.283 3.840 ( -1.710 1.074 1.450) 2.486 4.332 ( 1.173 -0.594 -0.983) 1.642 4.809 ( 3.964 -1.201 0.634) 4.190 5.192 ( -3.389 2.194 8.416) 9.335 6.758 ( -13.678 5.452 17.481) 22.856 8.012 ( 6.604 1.401 -8.953) 11.213 8.875 ( -28.574 -4.457 18.933) 34.566 9.933 ( 4.067 3.396 -11.763) 12.902 11.196 ( -5.468 -2.796 15.393) 16.573 11.605 ( -2.071 -5.724 8.712) 10.628 14.425 ( -1.000 11.613 10.787) 15.881 14.511 ( -7.123 3.438 2.385) 8.261 15.849 ( -1.781 7.222 0.603) 7.463 16.825 ( 3.234 -0.834 -3.297) 4.693 ======================= Grid point 273 (132/282) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -8.724 -0.000 -2.033) 8.957 1.323 ( -1.392 -0.000 5.220) 5.403 1.548 ( -0.798 -0.000 4.816) 4.882 1.716 ( -1.368 -0.000 0.393) 1.423 2.149 ( 0.529 0.000 0.925) 1.065 2.225 ( 4.765 0.000 -5.070) 6.957 2.465 ( 4.501 0.000 4.424) 6.311 2.695 ( 3.032 0.000 1.954) 3.607 2.913 ( -5.932 -0.000 -12.123) 13.496 3.116 ( 0.015 0.000 1.604) 1.604 3.913 ( -1.003 -0.000 2.170) 2.390 4.303 ( 1.292 0.000 -1.500) 1.980 4.758 ( -1.702 -0.000 0.799) 1.880 5.156 ( -0.406 -0.000 8.352) 8.362 6.863 ( -13.809 -0.000 21.822) 25.824 8.232 ( 4.152 0.000 -12.108) 12.800 9.059 ( -22.897 -0.000 22.726) 32.261 10.214 ( 4.145 0.000 -19.767) 20.197 11.016 ( -7.897 -0.000 18.580) 20.188 11.237 ( 4.105 0.000 3.616) 5.470 14.448 ( 3.736 0.000 16.043) 16.473 14.773 ( -6.506 -0.000 3.997) 7.636 16.123 ( 1.498 0.000 3.645) 3.941 16.996 ( -7.115 -0.000 -9.465) 11.841 ======================= Grid point 274 (133/282) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -10.474 0.265 -0.537) 10.491 1.308 ( -6.028 0.429 4.013) 7.254 1.568 ( -1.040 -0.058 0.697) 1.254 1.697 ( -0.582 1.731 0.951) 2.059 2.155 ( 0.089 -0.106 -0.376) 0.400 2.253 ( 6.374 -0.289 -5.581) 8.477 2.556 ( 3.396 -0.245 5.141) 6.166 2.651 ( -6.758 -0.178 -5.516) 8.726 2.862 ( 5.941 -1.473 -2.799) 6.731 3.124 ( 0.465 -0.101 -0.347) 0.589 3.902 ( -2.284 0.912 1.623) 2.947 4.310 ( 0.940 -0.171 -0.593) 1.124 4.756 ( 0.621 -0.139 0.286) 0.698 5.213 ( -1.282 0.885 8.705) 8.843 6.868 ( -14.977 0.852 23.586) 27.953 8.152 ( 1.482 2.314 -11.288) 11.618 8.928 ( -25.065 -2.087 16.061) 29.842 10.097 ( 4.251 0.936 -18.947) 19.440 11.078 ( -7.285 -0.392 18.312) 19.712 11.354 ( 3.192 -2.267 9.008) 9.822 14.607 ( 4.537 4.168 14.506) 15.761 14.706 ( -7.412 1.616 3.427) 8.324 16.147 ( -0.009 5.356 5.893) 7.963 16.826 ( -7.428 -1.662 -9.478) 12.156 ======================= Grid point 275 (134/282) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -11.502 -0.404 0.302) 11.513 1.252 ( -7.736 0.242 5.195) 9.321 1.502 ( -6.740 -0.477 -6.579) 9.430 1.683 ( 0.585 2.792 2.199) 3.602 2.150 ( -0.535 -0.094 -0.309) 0.625 2.288 ( 6.572 0.611 -5.286) 8.456 2.553 ( -2.608 -1.084 -3.637) 4.604 2.634 ( 0.838 -1.205 4.645) 4.872 2.948 ( 6.250 -1.739 -2.003) 6.789 3.132 ( 1.989 -0.281 -1.063) 2.273 3.867 ( -3.058 0.993 0.886) 3.335 4.319 ( 0.639 -0.428 -0.557) 0.949 4.783 ( 2.923 -0.885 -0.353) 3.075 5.241 ( -3.478 1.716 8.563) 9.400 6.852 ( -15.570 2.438 21.740) 26.852 8.053 ( 2.144 1.670 -10.610) 10.952 8.785 ( -25.787 -2.888 20.403) 33.008 9.990 ( 4.106 1.421 -15.613) 16.206 11.146 ( -6.561 -1.341 16.211) 17.540 11.493 ( 0.780 -3.506 8.878) 9.577 14.597 ( -7.162 3.572 2.635) 8.426 14.702 ( 2.714 9.511 13.251) 16.536 16.062 ( -4.777 10.947 3.790) 12.531 16.749 ( -1.386 -5.894 -4.820) 7.739 ======================= Grid point 276 (135/282) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -9.975 -3.276 1.184) 10.566 1.205 ( -7.523 -0.181 5.209) 9.152 1.321 ( -12.435 -2.074 -8.538) 15.225 1.683 ( 1.439 3.052 3.044) 4.544 2.139 ( -1.539 -0.024 0.543) 1.632 2.314 ( 5.475 1.716 -2.996) 6.472 2.549 ( 3.013 -1.699 -3.089) 4.637 2.676 ( -2.334 -1.985 2.989) 4.280 2.995 ( 3.154 0.191 -3.833) 4.967 3.176 ( 4.713 -0.989 0.137) 4.818 3.822 ( -3.561 0.263 0.020) 3.571 4.326 ( 0.718 -0.717 -1.399) 1.728 4.840 ( 4.161 -1.952 -1.181) 4.745 5.227 ( -6.227 1.999 8.083) 10.397 6.772 ( -16.348 4.293 16.602) 23.693 8.008 ( 6.467 -1.357 -13.008) 14.590 8.725 ( -24.123 -0.819 35.635) 43.040 9.916 ( 4.021 0.759 -10.375) 11.153 11.212 ( -6.051 -2.340 12.923) 14.460 11.589 ( -1.447 -3.306 5.148) 6.287 14.490 ( -7.068 3.431 3.854) 8.751 14.662 ( -1.363 16.035 10.473) 19.200 15.884 ( -6.726 7.266 0.487) 9.913 16.831 ( 5.654 -5.196 -0.087) 7.680 ======================= Grid point 284 (136/282) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -12.404 -0.000 1.717) 12.522 1.253 ( -9.222 -0.000 5.850) 10.921 1.496 ( -7.392 -0.000 -6.559) 9.882 1.718 ( 0.635 0.000 1.563) 1.687 2.148 ( 0.840 0.000 -2.397) 2.539 2.292 ( 7.413 0.000 -5.678) 9.337 2.542 ( -3.542 -0.000 -2.709) 4.459 2.619 ( 0.220 0.000 4.878) 4.883 2.924 ( 7.128 0.000 -1.617) 7.309 3.127 ( 1.189 0.000 -0.761) 1.412 3.880 ( -3.584 -0.000 0.669) 3.646 4.314 ( 0.487 0.000 -0.487) 0.689 4.772 ( 2.475 0.000 -0.667) 2.564 5.262 ( -3.464 -0.000 8.598) 9.269 6.879 ( -16.130 -0.000 23.849) 28.791 8.075 ( 0.090 0.000 -12.037) 12.037 8.749 ( -24.940 -0.000 21.283) 32.787 10.005 ( 4.282 0.000 -17.105) 17.633 11.131 ( -7.154 -0.000 16.502) 17.986 11.450 ( 1.682 0.000 9.024) 9.179 14.644 ( -7.991 -0.000 3.030) 8.546 14.819 ( 6.116 0.000 12.997) 14.364 16.262 ( 0.649 0.000 10.752) 10.772 16.618 ( -9.012 -0.000 -10.208) 13.617 ======================= Grid point 285 (137/282) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -13.098 0.303 3.608) 13.590 1.192 ( -10.756 -0.605 9.339) 14.258 1.285 ( -14.209 -0.843 -11.121) 18.063 1.738 ( 1.428 1.364 2.071) 2.861 2.136 ( 0.769 -0.133 -3.272) 3.363 2.336 ( 7.248 0.247 -5.556) 9.136 2.524 ( 1.038 -0.394 0.471) 1.206 2.643 ( -2.711 -0.786 3.630) 4.598 2.993 ( 6.013 -0.103 -2.923) 6.686 3.148 ( 2.395 -0.965 -0.125) 2.585 3.829 ( -4.397 0.221 -0.451) 4.425 4.314 ( 0.231 -0.283 -0.985) 1.050 4.805 ( 3.754 -0.821 -2.079) 4.369 5.264 ( -6.595 0.917 8.009) 10.415 6.845 ( -17.043 1.677 18.611) 25.291 7.981 ( 1.575 -0.736 -12.694) 12.813 8.711 ( -20.081 -0.303 39.153) 44.004 9.924 ( 3.642 0.030 -13.920) 14.389 11.175 ( -6.810 -0.806 13.632) 15.260 11.532 ( -0.048 -1.302 5.943) 6.085 14.559 ( -7.927 1.903 3.561) 8.896 14.957 ( 5.667 6.638 10.481) 13.639 16.184 ( -7.089 17.696 3.614) 19.402 16.603 ( 0.380 -14.522 0.719) 14.545 ======================= Grid point 286 (138/282) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -10.887 -2.108 5.595) 12.421 1.008 ( -16.573 -2.211 -11.192) 20.120 1.170 ( -11.604 -2.096 14.487) 18.680 1.755 ( 1.620 2.004 2.214) 3.397 2.117 ( 0.176 -0.271 -3.221) 3.238 2.372 ( 6.100 0.680 -4.714) 7.739 2.563 ( 2.241 -0.895 0.617) 2.491 2.640 ( -2.480 -1.231 1.679) 3.238 3.007 ( 2.359 1.734 -3.817) 4.810 3.212 ( 3.783 -2.712 0.274) 4.663 3.762 ( -4.808 -0.160 -1.443) 5.023 4.311 ( 0.469 -0.643 -1.859) 2.022 4.843 ( 3.142 -1.932 -3.627) 5.173 5.214 ( -9.249 1.254 7.249) 11.818 6.726 ( -17.818 2.845 13.084) 22.288 7.928 ( 4.478 -2.819 -14.617) 15.545 8.924 ( -8.484 4.909 58.795) 59.606 9.878 ( 3.395 -1.685 -8.582) 9.382 11.207 ( -6.392 -1.666 10.300) 12.237 11.571 ( -1.244 -1.488 1.250) 2.308 14.475 ( -6.783 2.170 4.864) 8.624 14.938 ( -0.204 18.233 8.806) 20.249 15.885 ( -10.990 12.281 0.504) 16.488 16.835 ( 7.426 -10.329 2.822) 13.031 ======================= Grid point 295 (139/282) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -13.403 -0.000 6.569) 14.926 0.977 ( -18.412 -0.000 -10.580) 21.235 1.142 ( -13.372 -0.000 16.181) 20.991 1.780 ( 1.258 0.000 1.854) 2.241 2.113 ( 2.168 0.000 -6.069) 6.445 2.375 ( 6.746 0.000 -6.676) 9.491 2.559 ( 2.179 0.000 2.601) 3.393 2.618 ( -4.256 -0.000 2.860) 5.128 3.040 ( 5.518 0.000 -4.205) 6.938 3.165 ( 1.032 0.000 0.935) 1.393 3.761 ( -4.986 -0.000 -1.611) 5.240 4.303 ( 0.191 0.000 -1.582) 1.594 4.819 ( 3.216 0.000 -4.219) 5.305 5.230 ( -9.675 -0.000 7.108) 12.005 6.763 ( -18.168 -0.000 12.063) 21.807 7.892 ( 2.966 0.000 -13.168) 13.498 8.989 ( -3.080 -0.000 64.626) 64.700 9.853 ( 2.559 0.000 -12.011) 12.280 11.187 ( -6.761 -0.000 10.824) 12.762 11.553 ( -0.701 -0.000 1.833) 1.963 14.505 ( -7.869 -0.000 4.539) 9.084 15.146 ( 6.754 0.000 5.867) 8.946 16.271 ( -5.706 -0.000 -7.926) 9.766 16.531 ( 2.321 0.000 15.794) 15.963 ======================= Grid point 296 (140/282) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -10.747 -1.887 9.344) 14.366 0.695 ( -18.351 -1.868 -2.439) 18.606 1.139 ( -13.759 -1.588 21.681) 25.728 1.799 ( 0.375 0.675 1.222) 1.445 2.091 ( 3.168 0.062 -7.127) 7.800 2.390 ( 4.432 -0.529 -7.435) 8.672 2.577 ( -2.149 1.408 3.082) 4.013 2.631 ( 1.680 -2.386 1.625) 3.340 3.034 ( 2.097 3.154 -3.868) 5.414 3.203 ( 0.494 -3.569 0.419) 3.627 3.686 ( -4.469 -0.054 -1.994) 4.894 4.295 ( 0.610 -0.373 -2.071) 2.191 4.811 ( 0.627 -1.173 -5.229) 5.396 5.151 ( -11.074 0.371 6.292) 12.742 6.620 ( -17.558 0.760 10.425) 20.434 7.843 ( 5.658 -1.603 -13.700) 14.909 9.614 ( 16.084 12.935 53.613) 57.448 9.848 ( 8.494 -5.604 10.427) 14.570 11.189 ( -6.341 -0.952 8.376) 10.549 11.544 ( -0.771 -0.167 -1.723) 1.895 14.449 ( -6.895 0.498 5.509) 8.840 15.197 ( 3.894 11.191 2.780) 12.171 15.955 ( -11.176 24.391 -0.252) 26.830 16.791 ( 4.920 -15.258 0.552) 16.041 ======================= Grid point 306 (141/282) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -8.969 -0.000 12.328) 15.246 0.542 ( -9.924 -0.000 13.816) 17.010 1.161 ( -13.786 -0.000 27.307) 30.590 1.801 ( -1.238 -0.000 -0.073) 1.240 2.080 ( 5.778 0.000 -9.249) 10.906 2.349 ( 0.175 0.000 -7.665) 7.667 2.610 ( 1.683 0.000 2.127) 2.713 2.641 ( 0.447 0.000 1.889) 1.942 3.042 ( 0.720 0.000 -4.419) 4.477 3.171 ( -2.195 -0.000 1.151) 2.479 3.628 ( -2.380 -0.000 -1.210) 2.671 4.286 ( 0.989 0.000 -1.940) 2.177 4.752 ( -2.176 -0.000 -4.299) 4.819 5.065 ( -10.597 -0.000 5.680) 12.024 6.505 ( -15.273 -0.000 11.145) 18.907 7.805 ( 7.827 0.000 -13.612) 15.702 9.725 ( 1.546 0.000 -9.263) 9.391 10.741 ( 48.081 0.000 38.464) 61.573 11.168 ( -6.392 -0.000 7.514) 9.865 11.578 ( 9.469 0.000 9.636) 13.510 14.413 ( -6.472 -0.000 5.806) 8.694 15.310 ( 3.991 0.000 -3.206) 5.119 16.115 ( 1.100 0.000 -3.447) 3.618 16.492 ( -24.638 -0.000 -17.554) 30.252 ======================= Grid point 307 (142/282) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -2.293 -0.000 13.093) 13.292 1.165 ( 3.829 0.000 11.255) 11.888 1.678 ( -2.524 -0.000 4.032) 4.757 1.686 ( -1.104 -0.000 -2.218) 2.478 1.924 ( 2.049 0.000 -3.993) 4.488 2.035 ( -0.546 -0.000 -7.024) 7.045 2.727 ( 0.153 0.000 7.971) 7.973 2.752 ( 6.061 0.000 -1.731) 6.304 2.843 ( -0.951 -0.000 -6.741) 6.808 3.089 ( -4.664 -0.000 0.175) 4.667 3.704 ( 1.774 0.000 5.076) 5.377 4.249 ( 1.896 0.000 -2.851) 3.424 4.694 ( -3.818 -0.000 4.558) 5.946 5.069 ( -2.248 -0.000 3.877) 4.482 6.664 ( -10.359 -0.000 13.451) 16.978 7.553 ( 10.961 0.000 -12.522) 16.641 9.537 ( -0.272 -0.000 -1.017) 1.052 10.434 ( -6.800 -0.000 -20.599) 21.693 11.396 ( -3.356 -0.000 14.365) 14.751 12.954 ( 28.433 0.000 -9.589) 30.006 14.448 ( -48.348 -0.000 4.672) 48.574 14.461 ( -5.134 -0.000 3.726) 6.343 15.362 ( -11.454 -0.000 2.351) 11.693 16.148 ( 12.276 0.000 -5.544) 13.470 ======================= Grid point 308 (143/282) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.791 -1.521 10.828) 10.963 1.296 ( 3.714 -1.067 6.635) 7.678 1.617 ( -5.198 3.308 1.834) 6.428 1.682 ( -0.595 -0.890 -1.319) 1.699 1.940 ( 3.407 -2.291 -3.654) 5.496 1.996 ( 2.634 -0.914 -6.264) 6.856 2.766 ( 4.153 3.160 -0.228) 5.223 2.776 ( -1.680 -0.530 -4.038) 4.405 2.839 ( 2.683 -1.961 2.308) 4.046 3.039 ( -3.617 0.145 1.576) 3.948 3.771 ( 1.193 -0.141 5.933) 6.053 4.247 ( 2.024 -0.381 -3.808) 4.329 4.704 ( -1.358 -0.655 4.751) 4.984 5.097 ( 0.371 -0.635 4.457) 4.517 6.671 ( -9.549 -3.122 13.694) 16.985 7.598 ( 11.544 -1.264 -12.434) 17.014 9.550 ( 1.490 -1.247 0.465) 1.998 10.150 ( -13.253 1.864 -14.604) 19.808 11.473 ( -4.323 1.388 16.806) 17.408 12.858 ( -11.980 14.984 -11.361) 22.296 14.135 ( -15.133 -1.888 16.967) 22.814 14.455 ( -2.857 -2.894 2.652) 4.855 15.315 ( -2.746 -3.998 0.477) 4.874 16.306 ( 12.768 -6.249 -6.149) 15.488 ======================= Grid point 309 (144/282) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.985 -1.732 7.666) 7.920 1.375 ( 0.753 -0.547 2.774) 2.926 1.526 ( -5.656 2.230 1.628) 6.294 1.663 ( -0.094 1.214 -1.677) 2.072 1.997 ( 3.259 -2.416 -0.089) 4.058 2.021 ( 5.460 -2.996 -5.325) 8.194 2.699 ( -1.917 0.234 -7.844) 8.078 2.786 ( 3.669 1.038 -2.029) 4.319 2.890 ( -0.108 1.683 5.439) 5.695 3.038 ( 0.119 -0.962 2.071) 2.287 3.831 ( 0.095 -0.127 5.887) 5.889 4.249 ( 2.696 -1.043 -4.749) 5.559 4.752 ( 1.364 -0.608 4.693) 4.925 5.159 ( 1.388 -1.115 4.609) 4.941 6.725 ( -9.094 -6.088 13.663) 17.506 7.655 ( 11.253 -1.737 -12.421) 16.850 9.604 ( 2.290 -0.945 2.870) 3.791 9.837 ( -17.866 2.593 -5.951) 19.009 11.525 ( -5.807 2.598 16.206) 17.410 12.390 ( -20.560 13.779 -1.702) 24.809 14.208 ( -2.840 -2.807 12.803) 13.411 14.491 ( -1.697 -3.424 2.444) 4.536 15.389 ( 2.586 -7.491 0.620) 7.949 16.482 ( 12.116 -5.676 -6.250) 14.768 ======================= Grid point 310 (145/282) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -3.026 1.095 3.818) 4.993 1.373 ( -3.322 0.029 0.025) 3.322 1.469 ( -3.828 0.257 2.971) 4.852 1.631 ( -0.214 1.795 -0.413) 1.855 2.066 ( 6.079 -1.539 -2.731) 6.840 2.100 ( 2.324 -4.138 0.721) 4.801 2.600 ( -1.428 1.623 -7.157) 7.476 2.809 ( 2.649 -1.472 -2.472) 3.911 2.896 ( -1.224 2.657 4.439) 5.316 3.080 ( 2.850 -0.189 1.517) 3.234 3.869 ( -1.158 0.064 4.589) 4.733 4.258 ( 3.133 -1.348 -5.451) 6.430 4.822 ( 3.176 0.328 4.238) 5.306 5.227 ( 0.726 -1.518 4.468) 4.775 6.806 ( -9.330 -7.663 13.142) 17.846 7.708 ( 10.534 -1.718 -12.583) 16.500 9.530 ( -19.975 3.971 8.190) 21.951 9.713 ( 3.781 -1.779 1.214) 4.351 11.533 ( -6.852 2.982 12.537) 14.596 12.043 ( -13.672 8.311 -0.030) 16.000 14.305 ( -4.340 -4.331 11.191) 12.760 14.518 ( -3.159 -1.978 3.616) 5.193 15.545 ( 5.071 -8.451 0.886) 9.896 16.632 ( 11.039 -3.244 -4.814) 12.472 ======================= Grid point 311 (146/282) ======================= q-point: (-0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -4.515 4.422 2.066) 6.649 1.296 ( -7.423 0.423 -1.355) 7.558 1.459 ( -3.157 0.583 4.484) 5.515 1.622 ( 0.366 -0.196 0.989) 1.073 2.134 ( 5.164 -1.549 -2.748) 6.051 2.172 ( 1.041 -2.643 2.043) 3.499 2.526 ( 0.870 1.301 -4.541) 4.803 2.833 ( -0.688 -0.231 0.314) 0.790 2.873 ( -1.259 0.291 -0.299) 1.327 3.141 ( 5.665 0.910 1.570) 5.949 3.873 ( -2.563 0.471 2.514) 3.621 4.263 ( 3.001 -1.067 -6.040) 6.828 4.883 ( 3.223 1.778 3.304) 4.946 5.281 ( -1.146 -1.864 4.134) 4.678 6.880 ( -10.317 -7.241 12.272) 17.592 7.743 ( 9.531 -1.059 -13.427) 16.500 9.356 ( -18.319 1.405 17.368) 25.282 9.808 ( 5.121 0.275 4.822) 7.039 11.496 ( -6.991 2.588 7.594) 10.641 11.829 ( -8.431 4.434 -1.873) 9.709 14.396 ( -6.566 -7.598 10.646) 14.635 14.527 ( -3.945 -0.997 5.594) 6.918 15.696 ( 3.408 -6.355 0.377) 7.221 16.758 ( 10.329 -1.007 -2.598) 10.699 ======================= Grid point 312 (147/282) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -4.698 5.450 3.083) 7.828 1.161 ( -11.066 1.704 -0.264) 11.200 1.445 ( -3.958 1.813 7.009) 8.251 1.661 ( 2.044 -2.290 0.525) 3.114 2.170 ( 0.272 -0.846 -0.595) 1.069 2.228 ( 3.821 -0.860 -1.153) 4.083 2.526 ( 3.294 -0.370 -0.391) 3.338 2.771 ( -5.746 2.689 0.628) 6.375 2.880 ( 0.740 -2.433 -2.590) 3.630 3.220 ( 6.705 1.488 1.665) 7.067 3.833 ( -4.331 1.116 0.338) 4.485 4.257 ( 2.741 -0.582 -6.330) 6.923 4.908 ( 1.580 2.917 2.265) 4.017 5.306 ( -3.690 -1.896 3.587) 5.484 6.917 ( -11.641 -5.013 11.581) 17.169 7.738 ( 7.916 0.666 -14.590) 16.612 9.356 ( -10.936 -2.951 24.789) 27.254 9.907 ( 4.669 2.260 8.549) 10.000 11.431 ( -6.442 1.821 3.609) 7.605 11.677 ( -5.990 2.174 -4.485) 7.793 14.503 ( -6.185 -10.053 8.184) 14.363 14.546 ( -5.861 -2.770 9.173) 11.232 15.772 ( 0.008 -2.879 -0.429) 2.911 16.869 ( 9.629 0.653 -1.494) 9.766 ======================= Grid point 313 (148/282) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -4.476 4.662 5.188) 8.288 0.997 ( -12.648 3.213 5.301) 14.085 1.448 ( -3.331 1.197 9.285) 9.937 1.722 ( 2.749 -2.563 -0.664) 3.817 2.152 ( -3.194 0.968 1.016) 3.489 2.261 ( 4.923 0.482 -4.857) 6.932 2.598 ( 4.167 -1.346 2.542) 5.063 2.665 ( -6.253 1.502 -0.935) 6.499 2.896 ( 1.020 -1.778 -1.853) 2.763 3.283 ( 4.596 2.237 0.846) 5.181 3.750 ( -5.524 1.503 -1.125) 5.834 4.243 ( 2.677 -0.207 -5.872) 6.457 4.891 ( -1.025 3.289 1.768) 3.872 5.291 ( -6.286 -1.392 2.934) 7.075 6.901 ( -12.623 -1.839 11.476) 17.159 7.687 ( 6.750 2.506 -14.490) 16.180 9.533 ( -1.718 -5.786 18.501) 19.460 10.049 ( 6.328 0.684 18.624) 19.682 11.363 ( -5.441 0.923 2.097) 5.903 11.550 ( -4.680 0.509 -6.057) 7.671 14.557 ( -2.016 -0.361 5.197) 5.586 14.656 ( -11.587 -17.015 11.755) 23.706 15.764 ( -2.988 -0.210 -0.605) 3.056 16.940 ( 7.367 2.703 -3.497) 8.591 ======================= Grid point 314 (149/282) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -5.732 3.252 8.478) 10.738 0.898 ( -8.278 3.537 13.282) 16.045 1.489 ( -2.215 -0.190 10.178) 10.418 1.764 ( 1.475 -1.707 -2.286) 3.212 2.090 ( -4.679 2.976 2.006) 5.897 2.254 ( 3.817 1.357 -7.514) 8.536 2.588 ( -3.565 -0.727 -0.691) 3.704 2.677 ( 2.699 -0.519 2.093) 3.455 2.922 ( 1.846 -1.560 -0.799) 2.546 3.281 ( -0.088 2.891 -1.130) 3.105 3.662 ( -3.995 1.130 -0.574) 4.191 4.234 ( 2.741 -0.038 -4.612) 5.365 4.840 ( -3.595 2.949 2.190) 5.140 5.235 ( -7.944 -0.493 2.482) 8.338 6.844 ( -12.762 1.002 11.915) 17.488 7.619 ( 7.062 3.350 -13.584) 15.672 9.650 ( -0.207 -0.787 2.348) 2.485 10.418 ( 15.599 -7.990 21.064) 27.402 11.314 ( -4.482 0.184 2.592) 5.181 11.488 ( 0.260 -2.916 0.185) 2.934 14.568 ( -3.673 0.359 5.714) 6.802 14.817 ( -12.457 -20.850 8.122) 25.610 15.707 ( -5.746 -0.138 0.226) 5.752 16.897 ( 1.885 6.920 -9.330) 11.768 ======================= Grid point 315 (150/282) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -6.087 1.849 13.343) 14.782 0.924 ( -1.927 3.083 16.243) 16.644 1.561 ( -1.074 -1.331 9.567) 9.719 1.758 ( -0.621 -0.808 -3.736) 3.872 2.013 ( -3.473 3.676 1.800) 5.368 2.199 ( 0.884 1.180 -8.573) 8.699 2.587 ( 0.446 -2.546 0.045) 2.585 2.708 ( 1.160 1.282 1.578) 2.341 2.949 ( 1.357 -0.332 -2.117) 2.536 3.209 ( -3.929 1.529 -1.763) 4.569 3.627 ( -0.676 0.660 1.520) 1.790 4.236 ( 2.688 -0.019 -3.191) 4.172 4.776 ( -5.181 2.129 3.188) 6.444 5.157 ( -7.688 0.277 2.511) 8.092 6.768 ( -12.143 2.432 12.550) 17.631 7.564 ( 8.216 3.075 -12.982) 15.668 9.627 ( -1.398 1.676 -1.905) 2.897 10.728 ( 8.532 -5.029 -10.758) 14.623 11.297 ( -4.033 -0.592 6.095) 7.332 11.784 ( 23.753 -11.846 17.016) 31.529 14.549 ( -5.539 1.045 5.605) 7.949 14.946 ( -14.551 -21.144 0.864) 25.681 15.642 ( -10.865 -4.733 2.427) 12.098 16.633 ( -5.936 16.251 -15.506) 23.233 ======================= Grid point 316 (151/282) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -4.521 1.156 14.444) 15.179 1.028 ( 1.886 1.792 14.997) 15.221 1.639 ( -0.806 -1.367 7.183) 7.356 1.721 ( -0.965 -0.611 -3.822) 3.989 1.953 ( -1.024 2.652 -0.371) 2.867 2.115 ( -1.157 0.587 -8.124) 8.227 2.646 ( 1.859 -3.358 1.661) 4.182 2.719 ( 2.263 2.478 2.093) 3.955 2.914 ( -0.523 1.178 -5.399) 5.550 3.143 ( -4.444 -0.399 -0.429) 4.483 3.649 ( 1.346 0.283 3.589) 3.843 4.245 ( 2.320 0.011 -2.500) 3.411 4.721 ( -5.246 1.052 4.069) 6.722 5.091 ( -5.442 0.449 3.070) 6.264 6.701 ( -11.253 2.059 13.080) 17.377 7.539 ( 9.654 1.759 -12.702) 16.051 9.570 ( -1.455 1.397 -2.066) 2.887 10.652 ( -0.939 -1.663 -21.699) 21.782 11.328 ( -3.401 -0.746 10.429) 10.995 12.452 ( 38.020 -10.983 6.823) 40.159 14.504 ( -6.417 1.000 4.912) 8.143 14.900 ( -27.308 -14.818 -7.204) 31.893 15.549 ( -22.849 -6.329 4.211) 24.081 16.214 ( 1.714 20.219 -11.227) 23.190 ======================= Grid point 318 (152/282) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.220 0.000 8.230) 8.233 1.359 ( 1.849 0.000 0.566) 1.934 1.587 ( -7.191 -0.000 3.302) 7.913 1.662 ( 0.450 0.000 0.532) 0.697 1.951 ( 5.820 0.000 -4.375) 7.281 1.995 ( 4.418 0.000 -3.586) 5.691 2.698 ( -0.975 -0.000 -7.255) 7.320 2.791 ( 1.375 0.000 -5.682) 5.846 2.928 ( 2.957 0.000 9.197) 9.661 3.017 ( -2.603 -0.000 2.613) 3.689 3.831 ( 0.341 0.000 6.160) 6.170 4.234 ( 2.613 0.000 -5.248) 5.862 4.745 ( 1.939 0.000 4.881) 5.252 5.145 ( 1.652 0.000 4.358) 4.660 6.649 ( -9.032 -0.000 13.566) 16.298 7.636 ( 12.538 0.000 -13.110) 18.140 9.587 ( 3.207 0.000 3.271) 4.581 9.872 ( -19.298 -0.000 -5.668) 20.113 11.558 ( -6.148 -0.000 16.597) 17.699 12.572 ( -27.669 -0.000 -6.873) 28.509 14.182 ( 0.900 0.000 10.501) 10.540 14.444 ( -0.096 -0.000 3.432) 3.434 15.294 ( 3.239 0.000 -0.048) 3.239 16.406 ( 14.493 0.000 -4.029) 15.043 ======================= Grid point 319 (153/282) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.434 0.083 5.560) 5.577 1.348 ( -2.209 -1.077 -3.435) 4.224 1.524 ( -5.522 2.563 5.558) 8.243 1.674 ( 1.119 1.250 0.135) 1.683 2.009 ( 4.281 -2.719 -1.343) 5.246 2.038 ( 5.415 -0.714 -2.139) 5.866 2.626 ( -0.775 0.549 -6.861) 6.927 2.759 ( -0.036 -1.518 -4.613) 4.856 2.979 ( -1.194 3.381 4.366) 5.650 3.057 ( 2.474 -1.776 4.935) 5.799 3.875 ( -0.882 0.285 5.442) 5.520 4.229 ( 3.686 -0.808 -6.552) 7.561 4.827 ( 4.462 0.089 4.772) 6.533 5.202 ( 1.215 -0.539 3.809) 4.034 6.673 ( -8.256 -3.093 13.442) 16.075 7.685 ( 12.729 -0.410 -13.813) 18.788 9.593 ( -22.868 1.332 5.360) 23.525 9.681 ( 4.441 -0.762 5.621) 7.204 11.586 ( -8.006 1.262 12.833) 15.178 12.194 ( -20.469 3.668 -4.006) 21.177 14.256 ( -2.157 -0.486 7.871) 8.176 14.495 ( 1.341 -0.294 4.837) 5.028 15.391 ( 8.101 -3.797 -0.102) 8.947 16.568 ( 14.183 -1.665 -3.200) 14.635 ======================= Grid point 320 (154/282) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.033 2.964 3.060) 4.261 1.288 ( -5.563 -0.959 -1.857) 5.943 1.488 ( -3.527 1.839 5.648) 6.908 1.658 ( 0.698 2.781 -0.395) 2.894 2.082 ( 2.239 -3.576 -0.737) 4.283 2.106 ( 4.653 -1.627 -0.004) 4.929 2.558 ( -0.014 1.129 -5.339) 5.457 2.759 ( -0.132 -3.413 -2.737) 4.377 2.939 ( -3.408 2.919 2.164) 4.982 3.153 ( 5.170 0.083 4.170) 6.643 3.889 ( -2.173 0.726 3.640) 4.301 4.234 ( 4.323 -1.227 -7.445) 8.696 4.918 ( 4.799 1.080 4.029) 6.359 5.246 ( -0.607 -1.058 3.350) 3.565 6.734 ( -7.561 -4.689 13.236) 15.948 7.728 ( 12.390 -0.283 -14.467) 19.049 9.378 ( -22.798 0.549 15.561) 27.608 9.808 ( 5.405 -0.142 8.205) 9.827 11.547 ( -8.600 1.563 7.185) 11.315 11.919 ( -12.080 2.907 -4.956) 13.376 14.283 ( -6.668 -2.258 8.943) 11.382 14.548 ( 1.106 1.954 6.344) 6.730 15.555 ( 8.809 -5.138 -0.260) 10.202 16.732 ( 12.996 -0.962 -2.088) 13.198 ======================= Grid point 321 (155/282) ======================= q-point: (-0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.014 6.631 1.934) 6.908 1.199 ( -8.462 1.251 1.563) 8.695 1.482 ( -2.692 1.212 5.960) 6.652 1.637 ( 0.821 0.826 -0.432) 1.242 2.133 ( 0.856 -2.579 -0.476) 2.759 2.183 ( 3.630 -2.291 -0.110) 4.294 2.524 ( 1.623 0.101 -2.701) 3.153 2.774 ( -2.527 -3.256 -1.521) 4.393 2.872 ( -3.077 2.633 1.105) 4.198 3.251 ( 6.631 0.996 2.969) 7.333 3.862 ( -3.665 1.284 1.496) 4.162 4.237 ( 4.334 -0.982 -7.881) 9.047 4.974 ( 2.734 2.415 2.682) 4.528 5.265 ( -2.993 -1.469 3.160) 4.593 6.806 ( -7.329 -4.076 13.201) 15.640 7.754 ( 11.562 0.571 -15.162) 19.076 9.296 ( -18.209 -2.140 24.612) 30.690 9.944 ( 5.026 1.015 9.865) 11.118 11.465 ( -7.982 1.010 2.325) 8.375 11.725 ( -7.389 1.720 -7.182) 10.447 14.305 ( -9.609 -4.873 10.995) 15.394 14.583 ( 0.773 3.468 7.286) 8.106 15.700 ( 6.197 -3.395 -0.604) 7.092 16.876 ( 11.501 0.143 -1.324) 11.578 ======================= Grid point 322 (156/282) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.663 8.569 1.870) 8.796 1.081 ( -10.177 3.694 6.227) 12.490 1.483 ( -3.632 1.651 8.074) 9.006 1.663 ( 2.733 -2.073 -1.025) 3.580 2.152 ( -0.745 -0.885 -0.140) 1.165 2.242 ( 3.373 -2.042 -2.546) 4.693 2.555 ( 2.730 -1.993 0.398) 3.404 2.706 ( -7.181 0.739 -1.598) 7.394 2.861 ( 0.949 -0.318 1.225) 1.582 3.332 ( 5.668 1.807 1.197) 6.068 3.793 ( -5.066 2.020 -0.083) 5.454 4.234 ( 4.104 -0.543 -7.474) 8.544 4.971 ( -0.499 3.267 1.661) 3.699 5.257 ( -5.177 -1.400 2.955) 6.124 6.858 ( -7.811 -1.675 13.533) 15.715 7.746 ( 10.235 2.302 -15.109) 18.394 9.390 ( -10.004 -5.871 27.867) 30.185 10.073 ( 3.799 1.235 11.976) 12.625 11.375 ( -6.823 0.086 0.321) 6.831 11.565 ( -5.445 0.707 -8.969) 10.516 14.348 ( -11.380 -7.946 12.605) 18.749 14.609 ( 0.228 3.777 7.803) 8.672 15.770 ( 2.822 -0.086 -0.790) 2.932 16.984 ( 9.355 1.326 -2.494) 9.772 ======================= Grid point 323 (157/282) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.641 8.275 3.175) 8.887 0.998 ( -6.469 4.683 12.431) 14.775 1.495 ( -3.903 0.789 9.746) 10.528 1.715 ( 2.680 -2.378 -2.322) 4.270 2.133 ( -2.222 0.862 0.153) 2.389 2.271 ( 3.346 -0.726 -4.878) 5.960 2.577 ( -5.965 -0.603 -1.447) 6.168 2.646 ( 2.248 -1.669 1.323) 3.096 2.896 ( 1.884 -0.335 1.911) 2.704 3.349 ( 1.341 2.732 -2.215) 3.764 3.705 ( -4.118 2.404 0.407) 4.786 4.231 ( 3.767 -0.248 -6.048) 7.130 4.919 ( -3.444 3.461 1.704) 5.172 5.220 ( -6.495 -0.724 2.731) 7.082 6.872 ( -8.724 1.348 14.021) 16.569 7.708 ( 9.324 3.936 -13.851) 17.155 9.586 ( -2.381 -4.988 16.394) 17.300 10.252 ( 4.292 -4.696 17.659) 18.770 11.308 ( -5.516 -0.749 1.260) 5.707 11.436 ( -3.910 -1.321 -6.621) 7.802 14.413 ( -13.309 -10.719 12.867) 21.391 14.628 ( -1.099 3.493 8.409) 9.172 15.763 ( -0.105 3.082 -0.445) 3.116 17.016 ( 5.786 3.641 -6.498) 9.432 ======================= Grid point 324 (158/282) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -2.235 6.302 8.932) 11.158 1.017 ( -0.218 4.553 14.133) 14.850 1.531 ( -3.547 -0.877 10.040) 10.685 1.732 ( 0.576 -1.377 -4.099) 4.363 2.086 ( -2.693 2.148 0.732) 3.522 2.244 ( 1.164 1.978 -6.973) 7.341 2.528 ( -1.564 -2.357 -0.942) 2.981 2.708 ( 1.732 -1.436 1.420) 2.661 2.942 ( 2.360 0.041 1.591) 2.846 3.262 ( -4.198 2.709 -5.354) 7.323 3.660 ( -0.694 2.205 2.484) 3.394 4.235 ( 3.324 -0.124 -4.185) 5.346 4.842 ( -5.222 3.172 2.644) 6.658 5.164 ( -6.399 0.271 2.764) 6.975 6.845 ( -9.406 3.857 14.299) 17.545 7.660 ( 9.055 4.764 -12.549) 16.192 9.663 ( -0.665 0.731 1.841) 2.089 10.536 ( 4.507 -10.542 4.164) 12.197 11.276 ( -4.776 -1.138 4.420) 6.606 11.488 ( 4.641 -10.635 9.842) 15.216 14.468 ( -16.215 -11.515 11.485) 22.965 14.635 ( -4.154 2.328 9.161) 10.325 15.694 ( -2.939 5.232 0.486) 6.021 16.914 ( 1.230 8.419 -12.361) 15.007 ======================= Grid point 325 (159/282) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -2.282 4.401 12.742) 13.672 1.100 ( 2.839 3.923 13.045) 13.915 1.590 ( -3.128 -2.351 8.714) 9.552 1.702 ( -0.363 -0.853 -5.128) 5.211 2.033 ( -1.896 3.020 0.670) 3.628 2.153 ( -0.271 2.754 -8.248) 8.700 2.567 ( 1.730 -3.365 0.534) 3.821 2.750 ( 2.050 0.001 1.829) 2.747 2.956 ( 1.152 1.953 -2.637) 3.478 3.135 ( -5.492 0.202 -3.596) 6.567 3.669 ( 1.121 1.581 4.012) 4.455 4.245 ( 2.785 -0.015 -2.907) 4.026 4.766 ( -5.475 2.547 3.737) 7.101 5.110 ( -4.750 1.005 3.217) 5.824 6.790 ( -9.655 5.184 14.237) 17.966 7.616 ( 9.246 4.522 -11.974) 15.790 9.624 ( -0.632 2.714 -2.313) 3.621 10.568 ( -2.716 -5.549 -17.512) 18.570 11.298 ( -4.254 -1.701 9.951) 10.955 11.989 ( 18.327 -24.689 16.325) 34.813 14.454 ( -21.285 -9.394 10.636) 25.582 14.612 ( -8.489 1.081 7.877) 11.631 15.579 ( -6.169 6.100 1.780) 8.857 16.654 ( -0.120 14.922 -15.808) 21.739 ======================= Grid point 326 (160/282) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -1.884 3.099 12.909) 13.409 1.200 ( 3.583 2.648 10.443) 11.354 1.626 ( -5.086 -2.364 4.319) 7.079 1.686 ( 1.887 -1.278 -3.529) 4.201 1.978 ( -0.432 3.474 -0.848) 3.602 2.055 ( 0.631 2.016 -8.207) 8.474 2.652 ( 2.697 -3.754 3.291) 5.674 2.792 ( 2.668 1.033 1.961) 3.469 2.882 ( -0.297 2.702 -7.094) 7.597 3.073 ( -4.156 -1.101 -0.080) 4.300 3.711 ( 1.551 0.721 5.210) 5.484 4.252 ( 2.229 0.222 -2.833) 3.612 4.714 ( -4.098 1.642 4.438) 6.260 5.083 ( -2.124 1.102 3.939) 4.609 6.726 ( -9.703 4.992 13.959) 17.718 7.590 ( 10.158 3.121 -12.014) 16.039 9.569 ( 0.055 2.452 -1.791) 3.037 10.392 ( -7.684 -3.458 -19.685) 21.412 11.371 ( -3.770 -1.949 14.094) 14.719 12.611 ( 15.502 -26.421 0.623) 30.639 14.318 ( -30.867 -4.753 13.955) 34.207 14.530 ( -6.368 3.979 3.826) 8.428 15.434 ( -7.182 6.172 1.827) 9.644 16.380 ( 6.578 14.895 -11.919) 20.179 ======================= Grid point 329 (161/282) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.859 0.000 4.122) 4.522 1.273 ( -4.687 -0.000 -1.742) 5.000 1.517 ( -4.757 -0.000 5.013) 6.911 1.707 ( 1.848 0.000 -0.544) 1.926 2.023 ( 2.507 0.000 -1.252) 2.802 2.088 ( 4.598 0.000 -0.203) 4.602 2.573 ( -0.369 -0.000 -5.459) 5.472 2.712 ( -0.775 -0.000 -2.219) 2.351 2.978 ( -3.828 -0.000 1.043) 3.968 3.151 ( 5.170 0.000 5.974) 7.901 3.899 ( -2.244 -0.000 4.208) 4.769 4.217 ( 5.019 0.000 -8.107) 9.534 4.931 ( 5.302 0.000 4.525) 6.970 5.233 ( -0.226 -0.000 2.732) 2.742 6.676 ( -6.383 -0.000 13.639) 15.058 7.725 ( 13.298 0.000 -14.942) 20.003 9.384 ( -24.529 -0.000 15.245) 28.881 9.806 ( 5.634 0.000 9.182) 10.773 11.566 ( -9.436 -0.000 6.983) 11.739 11.955 ( -13.733 -0.000 -6.218) 15.075 14.262 ( -5.987 -0.000 7.401) 9.519 14.580 ( 2.928 0.000 7.487) 8.039 15.487 ( 11.004 0.000 -0.984) 11.048 16.720 ( 14.249 0.000 -1.685) 14.349 ======================= Grid point 330 (162/282) ======================= q-point: ( 0.30 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 2.562 2.873 3.044) 4.908 1.211 ( -6.055 -0.170 2.879) 6.707 1.503 ( -3.062 0.564 4.925) 5.827 1.692 ( 0.904 2.651 -2.860) 4.003 2.053 ( 0.903 -3.029 -0.920) 3.292 2.146 ( 3.521 -0.766 0.782) 3.687 2.528 ( -0.301 0.163 -3.570) 3.586 2.703 ( -1.799 -1.918 -0.287) 2.645 2.927 ( -3.742 1.449 1.165) 4.179 3.265 ( 6.368 0.269 4.289) 7.682 3.887 ( -3.528 0.623 2.353) 4.286 4.217 ( 5.697 -0.562 -8.945) 10.619 5.015 ( 3.134 0.943 3.538) 4.819 5.241 ( -2.303 -0.572 2.168) 3.215 6.737 ( -4.272 -1.564 14.071) 14.788 7.763 ( 13.272 0.231 -15.470) 20.384 9.259 ( -22.358 -0.836 24.659) 33.296 9.960 ( 5.743 0.306 10.513) 11.983 11.479 ( -9.235 0.248 1.409) 9.345 11.754 ( -8.243 0.647 -8.915) 12.160 14.246 ( -8.473 -0.823 9.963) 13.105 14.667 ( 2.202 2.547 8.757) 9.381 15.627 ( 10.446 -2.071 -1.512) 10.756 16.878 ( 12.838 0.083 -1.083) 12.884 ======================= Grid point 331 (163/282) ======================= q-point: (-0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.209 5.474 4.377) 7.012 1.164 ( -4.697 3.582 5.157) 7.841 1.512 ( -1.889 0.510 5.485) 5.824 1.649 ( 1.172 1.159 -2.985) 3.410 2.097 ( 0.585 -3.763 -0.857) 3.904 2.198 ( 2.253 -1.047 -0.274) 2.499 2.514 ( 0.391 -1.319 -0.992) 1.696 2.678 ( -5.962 -2.096 -1.130) 6.420 2.894 ( -0.228 2.122 3.026) 3.703 3.365 ( 5.999 0.932 1.977) 6.385 3.837 ( -4.483 1.519 0.942) 4.826 4.220 ( 5.549 -0.585 -8.850) 10.462 5.036 ( -0.592 2.100 2.231) 3.120 5.228 ( -4.160 -1.014 2.294) 4.857 6.827 ( -3.396 -0.926 14.673) 15.089 7.789 ( 12.746 1.277 -15.328) 19.976 9.274 ( -16.782 -3.661 31.427) 35.815 10.102 ( 4.581 1.066 9.639) 10.725 11.370 ( -8.064 -0.378 -1.209) 8.163 11.579 ( -5.586 0.465 -11.166) 12.494 14.244 ( -9.588 -1.794 13.060) 16.301 14.718 ( 1.238 4.603 8.870) 10.070 15.751 ( 7.709 -1.340 -1.571) 7.981 17.009 ( 10.548 0.787 -1.770) 10.724 ======================= Grid point 332 (164/282) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.511 9.092 2.024) 9.328 1.107 ( -3.350 4.588 10.567) 11.997 1.522 ( -3.104 1.293 7.131) 7.884 1.662 ( 3.132 -1.842 -2.518) 4.420 2.133 ( 0.079 -1.572 -0.101) 1.577 2.223 ( 1.942 -2.071 -3.360) 4.399 2.542 ( -2.150 -2.122 0.995) 3.180 2.603 ( -4.580 -2.069 -1.680) 5.299 2.917 ( 2.207 1.858 4.162) 5.064 3.404 ( 2.287 1.854 -2.302) 3.737 3.767 ( -3.615 2.650 1.592) 4.757 4.223 ( 4.950 -0.449 -7.581) 9.065 4.994 ( -3.798 2.784 1.764) 5.029 5.201 ( -5.131 -0.867 2.578) 5.807 6.904 ( -4.394 1.244 15.372) 16.036 7.793 ( 11.726 3.030 -14.155) 18.629 9.438 ( -9.427 -6.481 30.446) 32.525 10.207 ( 2.502 0.186 7.959) 8.345 11.282 ( -6.775 -1.264 0.519) 6.911 11.420 ( -4.532 -0.241 -11.110) 12.001 14.267 ( -10.056 -2.651 15.415) 18.595 14.741 ( 0.411 5.342 8.499) 10.047 15.816 ( 4.523 1.238 -1.220) 4.845 17.082 ( 7.510 2.019 -4.362) 8.916 ======================= Grid point 333 (165/282) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -1.050 8.739 5.075) 10.160 1.128 ( 0.646 4.665 11.495) 12.422 1.529 ( -4.007 0.701 8.294) 9.238 1.695 ( 2.054 -1.604 -3.483) 4.350 2.124 ( -0.953 1.249 -0.390) 1.619 2.246 ( 2.102 -2.164 -4.715) 5.598 2.483 ( -4.924 -1.364 -1.242) 5.258 2.644 ( 1.022 -3.678 1.898) 4.263 2.961 ( 2.805 1.606 3.480) 4.750 3.327 ( -3.729 2.623 -7.088) 8.427 3.728 ( -0.463 3.386 3.658) 5.006 4.229 ( 4.165 -0.348 -5.468) 6.882 4.916 ( -5.600 2.995 2.332) 6.765 5.166 ( -4.917 -0.100 2.905) 5.712 6.938 ( -6.204 3.781 15.919) 17.498 7.775 ( 10.562 4.684 -12.376) 16.931 9.627 ( -3.748 -4.054 15.152) 16.126 10.319 ( 0.081 -6.039 7.192) 9.391 11.244 ( -5.703 -1.575 4.659) 7.531 11.324 ( -2.531 -3.742 -2.780) 5.305 14.305 ( -10.958 -2.763 16.756) 20.211 14.743 ( -0.799 5.481 7.790) 9.558 15.814 ( 1.578 4.332 -0.406) 4.628 17.062 ( 3.848 4.534 -8.684) 10.525 ======================= Grid point 334 (166/282) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.571 6.909 8.562) 11.016 1.196 ( 2.952 3.901 10.831) 11.884 1.548 ( -4.053 -0.844 8.362) 9.331 1.685 ( -0.066 -0.577 -4.628) 4.664 2.087 ( -0.590 1.919 -1.403) 2.450 2.216 ( -0.597 1.564 -5.359) 5.614 2.485 ( 0.850 -3.498 0.217) 3.606 2.716 ( 1.521 -2.806 2.258) 3.909 2.997 ( 2.534 1.695 0.901) 3.180 3.163 ( -6.508 2.018 -8.148) 10.622 3.728 ( 0.947 3.330 4.596) 5.754 4.243 ( 3.401 -0.213 -3.559) 4.927 4.832 ( -5.888 2.863 3.324) 7.343 5.133 ( -3.678 0.893 3.415) 5.098 6.927 ( -7.585 5.933 15.948) 18.629 7.740 ( 9.347 5.666 -11.110) 15.585 9.670 ( -1.447 0.576 0.291) 1.584 10.396 ( -4.725 -8.157 -7.313) 11.931 11.256 ( -5.184 -1.662 10.040) 11.420 11.485 ( 3.266 -15.577 14.975) 21.853 14.326 ( -13.041 -1.335 17.473) 21.844 14.716 ( -2.555 5.675 6.427) 8.947 15.748 ( -1.282 7.263 0.776) 7.416 16.924 ( 1.180 8.429 -13.126) 15.644 ======================= Grid point 335 (167/282) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.940 5.172 10.629) 11.858 1.271 ( 2.190 3.013 8.675) 9.441 1.580 ( -3.844 -1.517 6.160) 7.418 1.651 ( 0.274 -1.041 -4.287) 4.420 2.042 ( 0.324 2.178 -2.959) 3.688 2.133 ( -0.012 3.635 -5.093) 6.257 2.563 ( 2.483 -3.780 2.644) 5.239 2.787 ( 2.702 -1.549 2.070) 3.740 2.949 ( -1.926 2.768 -8.721) 9.350 3.052 ( -2.474 -0.391 -0.410) 2.538 3.747 ( 1.047 2.431 5.341) 5.961 4.257 ( 2.818 0.100 -2.786) 3.964 4.764 ( -4.737 2.422 4.128) 6.734 5.116 ( -1.739 1.523 4.092) 4.700 6.878 ( -8.394 7.359 15.353) 18.982 7.693 ( 8.708 5.420 -10.828) 14.915 9.627 ( -0.207 1.771 -3.080) 3.559 10.280 ( -9.174 -5.573 -16.062) 19.319 11.318 ( -4.704 -2.253 13.862) 14.811 11.937 ( 3.375 -26.182 16.004) 30.871 14.294 ( -15.136 2.064 18.004) 23.612 14.651 ( -3.873 5.927 4.195) 8.230 15.628 ( -3.460 9.445 1.705) 10.202 16.703 ( 2.585 11.492 -14.539) 18.711 ======================= Grid point 336 (168/282) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.463 3.748 9.986) 10.766 1.327 ( 0.863 1.129 6.845) 6.991 1.567 ( -4.363 -0.467 1.209) 4.552 1.657 ( 0.747 -2.229 -2.416) 3.371 2.003 ( 1.844 2.174 -2.762) 3.970 2.058 ( 2.419 4.277 -4.731) 6.821 2.678 ( 3.698 -3.964 4.340) 6.944 2.798 ( -2.952 0.778 -6.079) 6.802 2.863 ( 2.377 0.005 -1.910) 3.049 3.038 ( -0.878 0.240 0.766) 1.190 3.784 ( 0.685 1.158 5.838) 5.991 4.261 ( 2.496 0.633 -3.315) 4.197 4.732 ( -2.160 1.610 4.532) 5.273 5.124 ( 0.230 1.544 4.643) 4.898 6.804 ( -8.963 7.596 14.413) 18.595 7.658 ( 9.476 3.790 -11.333) 15.251 9.592 ( 1.032 1.647 -1.006) 2.189 10.072 ( -13.177 -4.244 -13.616) 19.417 11.418 ( -4.580 -2.878 16.192) 17.071 12.327 ( -7.757 -25.390 5.319) 27.076 14.221 ( -11.644 5.188 17.304) 21.492 14.561 ( -3.501 5.462 2.303) 6.884 15.485 ( -2.372 9.738 1.415) 10.122 16.523 ( 7.739 10.256 -11.110) 16.986 ======================= Grid point 340 (169/282) ======================= q-point: ( 0.30 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -6.489 -0.000 8.350) 10.575 1.225 ( 4.552 0.000 2.892) 5.393 1.515 ( -1.689 -0.000 4.567) 4.869 1.680 ( 0.433 0.000 -5.590) 5.607 2.033 ( 0.768 0.000 -1.138) 1.373 2.187 ( 2.134 0.000 1.410) 2.557 2.498 ( -0.793 -0.000 -1.598) 1.784 2.649 ( -5.459 -0.000 -0.197) 5.462 2.923 ( -0.661 -0.000 3.052) 3.123 3.376 ( 6.064 0.000 2.387) 6.517 3.856 ( -4.280 -0.000 1.443) 4.517 4.212 ( 6.219 0.000 -9.428) 11.295 5.063 ( -0.800 -0.000 2.790) 2.902 5.215 ( -3.678 -0.000 1.681) 4.044 6.816 ( -1.603 -0.000 15.011) 15.096 7.804 ( 13.642 0.000 -15.348) 20.534 9.229 ( -19.155 -0.000 32.160) 37.433 10.115 ( 5.172 0.000 9.216) 10.569 11.364 ( -8.497 -0.000 -1.798) 8.685 11.585 ( -5.589 -0.000 -11.995) 13.233 14.228 ( -8.887 -0.000 12.999) 15.746 14.781 ( 0.944 0.000 9.553) 9.599 15.730 ( 9.996 0.000 -2.151) 10.225 17.019 ( 10.931 0.000 -1.551) 11.041 ======================= Grid point 341 (170/282) ======================= q-point: (-0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -5.935 1.695 11.795) 13.313 1.270 ( 3.701 4.985 1.201) 6.324 1.539 ( -0.804 -0.037 4.341) 4.415 1.641 ( 1.692 0.025 -4.398) 4.712 2.057 ( 1.582 -3.016 -1.294) 3.644 2.212 ( 0.653 0.351 0.252) 0.783 2.495 ( -0.375 -1.413 1.024) 1.785 2.563 ( -7.669 -0.984 -1.353) 7.850 2.958 ( 1.748 1.107 4.574) 5.020 3.434 ( 2.763 0.640 -2.119) 3.541 3.816 ( -3.126 1.189 2.589) 4.229 4.213 ( 5.799 -0.262 -8.665) 10.430 5.043 ( -4.347 1.149 2.220) 5.014 5.183 ( -4.216 -0.503 2.109) 4.741 6.926 ( -1.633 0.512 15.874) 15.966 7.844 ( 13.459 1.138 -14.353) 19.709 9.323 ( -13.944 -2.708 35.580) 38.310 10.223 ( 3.546 0.614 3.882) 5.294 11.259 ( -7.217 -0.575 0.035) 7.240 11.418 ( -4.489 -0.034 -13.013) 13.766 14.242 ( -8.376 -0.175 16.023) 18.082 14.845 ( -0.364 2.697 9.043) 9.443 15.827 ( 7.938 -0.017 -1.911) 8.165 17.114 ( 8.087 0.694 -3.417) 8.807 ======================= Grid point 342 (171/282) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -4.065 5.147 9.248) 11.338 1.242 ( 2.124 5.509 3.144) 6.689 1.553 ( -1.947 0.976 4.697) 5.178 1.661 ( 3.346 -1.218 -2.235) 4.204 2.112 ( 1.935 -3.265 -0.762) 3.871 2.201 ( 0.345 0.293 -2.296) 2.341 2.460 ( -6.565 -0.656 -0.973) 6.669 2.552 ( 0.295 -3.622 2.756) 4.561 3.005 ( 2.420 1.681 4.029) 4.991 3.378 ( -3.070 1.549 -7.631) 8.370 3.804 ( -0.240 2.667 4.775) 5.475 4.220 ( 4.916 -0.422 -6.677) 8.302 4.976 ( -6.206 1.884 2.388) 6.911 5.160 ( -3.729 -0.403 2.866) 4.721 7.013 ( -3.808 2.308 16.781) 17.361 7.869 ( 12.418 2.982 -12.612) 17.949 9.508 ( -9.079 -4.740 29.684) 31.401 10.254 ( 1.359 -0.533 -2.622) 3.001 11.210 ( -6.303 -1.067 6.158) 8.876 11.275 ( -3.420 -1.015 -9.156) 9.826 14.286 ( -7.466 0.272 17.946) 19.439 14.863 ( -1.342 4.147 7.940) 9.058 15.887 ( 5.300 1.877 -1.015) 5.714 17.138 ( 4.785 2.040 -6.531) 8.349 ======================= Grid point 343 (172/282) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.285 6.958 4.749) 8.522 1.273 ( 1.480 2.461 8.261) 8.746 1.553 ( -2.747 0.971 5.346) 6.088 1.679 ( 1.353 0.169 -2.695) 3.020 2.129 ( 0.007 1.320 -1.130) 1.738 2.204 ( 1.434 -2.214 -3.875) 4.687 2.414 ( -1.833 -2.159 0.415) 2.862 2.633 ( 1.006 -3.768 3.700) 5.376 3.040 ( 2.392 1.819 1.994) 3.607 3.216 ( -6.580 2.106 -10.278) 12.384 3.814 ( 0.792 3.638 5.226) 6.416 4.235 ( 3.952 -0.457 -4.301) 5.859 4.894 ( -6.504 2.193 3.087) 7.526 5.148 ( -2.502 0.331 3.610) 4.405 7.053 ( -6.155 4.426 17.429) 19.007 7.869 ( 10.529 4.878 -10.785) 15.842 9.639 ( -6.262 -2.814 11.808) 13.659 10.242 ( -2.049 -4.231 -6.884) 8.336 11.222 ( -6.032 -1.345 11.379) 12.949 11.254 ( -0.489 -5.109 4.308) 6.701 14.340 ( -6.991 1.611 18.710) 20.039 14.846 ( -2.518 4.874 6.452) 8.469 15.895 ( 2.650 4.835 0.388) 5.527 17.071 ( 1.629 4.314 -10.245) 11.235 ======================= Grid point 344 (173/282) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.228 5.196 6.246) 8.216 1.329 ( 0.581 1.734 6.633) 6.881 1.560 ( -2.071 -0.033 5.452) 5.832 1.651 ( -0.401 1.043 -2.866) 3.076 2.093 ( 1.125 2.068 -3.639) 4.334 2.189 ( 0.230 0.862 -3.219) 3.340 2.472 ( 2.006 -3.781 2.972) 5.211 2.725 ( 2.452 -3.334 3.184) 5.221 3.008 ( -5.395 2.179 -11.000) 12.444 3.061 ( 0.175 1.110 -0.124) 1.130 3.822 ( 0.493 3.658 5.276) 6.439 4.255 ( 3.199 -0.270 -2.759) 4.232 4.820 ( -5.542 2.156 3.799) 7.056 5.150 ( -1.012 1.259 4.289) 4.583 7.047 ( -7.626 6.433 17.250) 19.927 7.834 ( 8.282 6.148 -9.797) 14.226 9.632 ( -4.373 -1.292 -0.615) 4.601 10.159 ( -6.373 -4.242 -13.109) 15.181 11.274 ( -5.723 -1.409 14.543) 15.692 11.469 ( 1.450 -13.479 16.532) 21.380 14.374 ( -7.425 4.043 18.670) 20.495 14.791 ( -3.975 5.503 4.559) 8.177 15.844 ( 0.051 8.236 1.972) 8.469 16.916 ( 0.424 6.735 -13.056) 14.697 ======================= Grid point 345 (174/282) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.689 3.402 6.864) 8.119 1.350 ( -2.188 0.956 5.477) 5.975 1.579 ( -1.358 0.632 2.411) 2.838 1.616 ( -0.322 -0.315 -1.677) 1.737 2.055 ( 3.205 2.264 -5.266) 6.567 2.151 ( 1.040 3.038 -1.782) 3.672 2.584 ( 2.870 -3.948 5.292) 7.199 2.800 ( -2.551 -0.895 -2.274) 3.533 2.845 ( 0.576 -0.920 -6.766) 6.853 3.055 ( 0.980 1.152 -0.941) 1.781 3.830 ( -0.116 2.726 5.355) 6.010 4.271 ( 2.781 0.184 -2.602) 3.813 4.774 ( -3.423 1.734 4.215) 5.699 5.165 ( 0.374 1.809 4.816) 5.158 6.998 ( -8.532 8.163 16.003) 19.888 7.774 ( 7.125 5.878 -9.885) 13.529 9.590 ( -3.482 -2.187 -1.287) 4.308 9.986 ( -8.765 -2.366 -13.559) 16.318 11.354 ( -5.288 -2.278 15.808) 16.824 11.800 ( -2.203 -17.980 14.862) 23.431 14.366 ( -7.817 6.732 17.618) 20.416 14.697 ( -4.996 5.779 2.874) 8.162 15.738 ( -1.432 10.949 2.668) 11.360 16.737 ( 2.886 7.442 -12.788) 15.075 ======================= Grid point 346 (175/282) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -4.161 1.537 5.412) 6.998 1.363 ( -2.664 -0.796 5.739) 6.378 1.534 ( -2.981 2.079 -1.340) 3.873 1.621 ( -0.152 -1.549 -0.911) 1.803 2.042 ( 5.334 1.930 -4.315) 7.127 2.119 ( 2.036 4.067 -0.313) 4.559 2.677 ( -3.040 -1.663 -7.537) 8.295 2.726 ( 2.783 -3.170 4.682) 6.302 2.881 ( 2.022 0.019 -0.988) 2.251 3.052 ( 1.532 0.433 -0.339) 1.628 3.846 ( -0.629 1.264 5.166) 5.356 4.273 ( 2.687 0.848 -3.655) 4.615 4.770 ( -0.216 0.824 4.313) 4.396 5.194 ( 1.105 1.832 4.964) 5.406 6.910 ( -9.320 8.903 14.239) 19.206 7.722 ( 8.186 3.963 -10.836) 14.147 9.581 ( -6.027 -3.873 3.810) 8.114 9.796 ( -8.012 0.112 -8.718) 11.841 11.452 ( -5.460 -3.195 15.408) 16.656 12.024 ( -9.374 -15.313 6.956) 19.255 14.327 ( -6.103 7.050 14.763) 17.461 14.590 ( -5.043 4.874 2.568) 7.469 15.615 ( 0.540 11.017 1.924) 11.197 16.628 ( 7.339 5.865 -9.081) 13.066 ======================= Grid point 351 (176/282) ======================= q-point: ( 0.40 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -4.315 -0.000 12.292) 13.028 1.332 ( 0.686 0.000 -1.799) 1.925 1.564 ( -0.085 -0.000 3.026) 3.027 1.644 ( 3.852 0.000 -1.537) 4.147 2.055 ( 2.821 0.000 -1.258) 3.089 2.216 ( -0.700 -0.000 -0.321) 0.770 2.452 ( -6.968 -0.000 -1.017) 7.042 2.503 ( 0.409 0.000 3.196) 3.222 3.027 ( 2.100 0.000 4.127) 4.630 3.396 ( -2.782 -0.000 -7.726) 8.212 3.838 ( -0.170 -0.000 5.320) 5.323 4.214 ( 5.239 0.000 -7.244) 8.940 4.999 ( -6.570 -0.000 2.504) 7.031 5.153 ( -3.216 -0.000 2.787) 4.256 7.041 ( -2.936 -0.000 17.016) 17.268 7.906 ( 13.341 0.000 -12.847) 18.521 9.447 ( -10.959 -0.000 34.101) 35.819 10.253 ( 2.233 0.000 -6.401) 6.779 11.197 ( -6.249 -0.000 6.694) 9.158 11.264 ( -3.633 -0.000 -10.676) 11.277 14.292 ( -6.621 -0.000 18.271) 19.434 14.916 ( -2.139 -0.000 8.022) 8.302 15.908 ( 6.932 0.000 -1.251) 7.044 17.162 ( 4.991 0.000 -5.872) 7.707 ======================= Grid point 352 (177/282) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -2.538 4.086 4.911) 6.874 1.304 ( -1.163 -0.116 3.217) 3.423 1.578 ( -0.628 0.788 2.339) 2.547 1.691 ( 3.413 0.564 -0.071) 3.460 2.101 ( 3.111 -2.352 -0.881) 3.998 2.189 ( -0.904 0.679 -2.053) 2.344 2.386 ( -3.224 -0.456 0.485) 3.292 2.560 ( 1.262 -1.942 4.698) 5.238 3.073 ( 1.850 0.806 2.226) 3.005 3.252 ( -6.490 0.835 -10.979) 12.781 3.881 ( 0.600 1.648 5.762) 6.023 4.224 ( 4.352 -0.296 -4.904) 6.563 4.930 ( -7.067 0.841 3.026) 7.734 5.151 ( -1.643 -0.018 3.753) 4.097 7.126 ( -5.564 1.621 18.270) 19.167 7.953 ( 11.863 1.973 -11.070) 16.346 9.576 ( -10.000 -1.741 22.829) 24.984 10.188 ( 1.235 -0.835 -14.048) 14.127 11.178 ( -1.886 -1.168 -1.059) 2.459 11.210 ( -5.744 -0.402 12.722) 13.965 14.374 ( -4.800 0.883 19.128) 19.741 14.929 ( -3.466 1.878 6.481) 7.586 15.971 ( 5.217 1.612 0.209) 5.464 17.136 ( 1.766 1.319 -8.764) 9.037 ======================= Grid point 353 (178/282) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -2.926 3.934 1.635) 5.169 1.347 ( -0.382 -0.164 5.805) 5.820 1.575 ( -1.029 0.986 2.798) 3.140 1.694 ( 0.704 2.263 -0.951) 2.554 2.130 ( 0.443 0.678 -2.232) 2.374 2.175 ( 1.774 -1.558 -2.484) 3.427 2.404 ( 1.627 -1.650 3.318) 4.047 2.649 ( 2.207 -2.762 4.582) 5.788 3.049 ( -7.656 1.277 -12.287) 14.533 3.091 ( 1.230 1.120 -0.097) 1.666 3.903 ( -0.045 2.835 5.221) 5.941 4.246 ( 3.450 -0.404 -2.792) 4.456 4.861 ( -6.346 1.227 3.597) 7.397 5.172 ( -0.097 0.603 4.507) 4.548 7.167 ( -7.732 3.579 19.024) 20.844 7.962 ( 9.082 4.210 -9.591) 13.863 9.590 ( -10.239 -1.654 6.679) 12.336 10.085 ( -0.352 -2.079 -16.394) 16.529 11.240 ( -2.835 -2.548 13.252) 13.789 11.274 ( -2.384 -2.854 14.060) 14.544 14.460 ( -3.635 2.796 18.830) 19.380 14.895 ( -4.691 3.146 4.793) 7.408 15.998 ( 3.208 4.552 2.162) 5.974 17.030 ( -0.836 3.053 -11.477) 11.905 ======================= Grid point 354 (179/282) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -4.733 2.260 3.283) 6.187 1.370 ( -1.821 0.607 3.316) 3.832 1.584 ( -0.364 0.341 3.077) 3.118 1.654 ( -0.431 2.720 -0.993) 2.927 2.101 ( 2.495 1.406 -4.868) 5.649 2.189 ( 1.217 0.138 -1.085) 1.636 2.503 ( 3.305 -2.592 5.837) 7.191 2.749 ( 2.456 -2.817 3.138) 4.880 2.843 ( -6.170 0.450 -11.805) 13.328 3.084 ( 1.223 1.163 -1.964) 2.589 3.902 ( -0.960 3.057 4.663) 5.658 4.270 ( 2.781 -0.236 -1.925) 3.391 4.809 ( -4.694 1.169 3.962) 6.253 5.205 ( 0.971 1.457 4.929) 5.230 7.165 ( -8.952 5.630 18.360) 21.187 7.918 ( 6.080 5.818 -9.086) 12.385 9.513 ( -10.350 -3.407 0.808) 10.926 9.955 ( -1.294 -0.861 -16.253) 16.327 11.316 ( -6.014 -0.931 16.012) 17.129 11.485 ( 0.658 -9.138 16.300) 18.699 14.518 ( -3.708 5.703 17.628) 18.895 14.819 ( -5.889 4.269 3.401) 8.029 15.973 ( 0.765 8.374 3.812) 9.233 16.871 ( -0.918 3.939 -12.659) 13.290 ======================= Grid point 355 (180/282) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -7.288 0.748 3.517) 8.127 1.357 ( -3.277 0.194 3.421) 4.741 1.582 ( -2.078 1.271 -0.442) 2.476 1.619 ( 0.291 1.759 0.522) 1.857 2.086 ( 5.277 1.596 -5.519) 7.801 2.187 ( 0.533 1.444 0.366) 1.583 2.623 ( 1.547 -2.401 2.815) 4.010 2.676 ( -3.857 -1.051 -3.953) 5.622 2.855 ( 4.510 -2.236 -0.607) 5.070 3.068 ( 1.520 0.832 -2.625) 3.145 3.890 ( -1.663 2.302 4.100) 4.987 4.285 ( 2.410 0.162 -2.446) 3.437 4.788 ( -2.153 0.605 4.016) 4.596 5.241 ( 1.292 1.988 5.031) 5.562 7.113 ( -9.901 7.655 15.929) 20.258 7.838 ( 4.996 5.549 -9.562) 12.132 9.450 ( -12.272 -6.034 4.632) 14.438 9.822 ( 0.270 1.182 -12.401) 12.460 11.388 ( -5.765 -2.019 14.779) 15.991 11.716 ( -2.703 -10.415 12.164) 16.241 14.518 ( -4.542 8.405 14.647) 17.487 14.713 ( -6.732 5.149 3.876) 9.320 15.882 ( -1.211 11.106 3.430) 11.686 16.737 ( 2.654 3.159 -10.431) 11.218 ======================= Grid point 356 (181/282) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -7.837 -1.228 2.653) 8.364 1.349 ( -4.122 -1.200 3.297) 5.413 1.506 ( -4.165 1.989 -1.598) 4.885 1.617 ( 0.312 0.863 1.020) 1.372 2.103 ( 6.702 1.494 -4.292) 8.098 2.179 ( 0.176 2.099 1.745) 2.736 2.561 ( -1.921 -1.311 -6.470) 6.875 2.769 ( 1.622 -3.247 6.298) 7.269 2.896 ( 2.271 0.637 -2.614) 3.520 3.075 ( 3.284 -0.328 -1.143) 3.493 3.878 ( -2.036 0.902 3.404) 4.068 4.283 ( 2.382 0.696 -3.997) 4.705 4.812 ( 0.951 -0.513 3.778) 3.930 5.270 ( 0.555 2.072 4.788) 5.246 7.006 ( -10.833 8.602 13.188) 19.112 7.770 ( 6.746 3.449 -11.059) 13.405 9.413 ( -16.361 -5.610 11.314) 20.668 9.754 ( 3.757 1.492 -4.579) 6.108 11.459 ( -5.983 -2.956 12.054) 13.778 11.840 ( -6.719 -8.161 4.877) 11.642 14.464 ( -4.308 8.407 10.845) 14.382 14.601 ( -7.492 5.286 5.799) 10.849 15.764 ( 0.020 9.857 1.604) 9.987 16.700 ( 7.181 2.086 -5.959) 9.562 ======================= Grid point 362 (182/282) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -4.050 -0.000 -1.734) 4.406 1.337 ( -0.493 -0.000 7.170) 7.187 1.590 ( -0.487 -0.000 1.253) 1.344 1.728 ( 1.145 0.000 -0.138) 1.154 2.123 ( 3.082 0.000 -0.092) 3.083 2.158 ( -0.881 -0.000 -2.993) 3.120 2.389 ( 1.756 0.000 3.063) 3.530 2.613 ( 2.284 0.000 5.132) 5.617 3.065 ( -8.215 -0.000 -12.632) 15.068 3.105 ( 1.205 0.000 -0.134) 1.213 3.940 ( -0.327 -0.000 5.213) 5.224 4.240 ( 3.600 0.000 -2.829) 4.579 4.876 ( -6.712 -0.000 3.534) 7.585 5.179 ( 0.356 0.000 4.625) 4.638 7.210 ( -7.951 -0.000 19.796) 21.333 8.015 ( 9.657 0.000 -9.766) 13.735 9.569 ( -12.530 -0.000 10.747) 16.508 10.060 ( 2.205 0.000 -19.277) 19.403 11.197 ( 0.679 0.000 9.463) 9.487 11.257 ( -6.281 -0.000 16.272) 17.442 14.494 ( -2.389 -0.000 18.849) 18.999 14.933 ( -5.036 -0.000 4.864) 7.001 16.052 ( 4.524 0.000 2.222) 5.040 17.066 ( -1.242 -0.000 -10.906) 10.976 ======================= Grid point 363 (183/282) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -6.009 1.203 1.132) 6.232 1.375 ( -0.618 -0.049 2.725) 2.795 1.595 ( -0.273 0.346 2.013) 2.060 1.715 ( -0.425 1.758 -0.829) 1.990 2.123 ( 1.362 0.711 -3.824) 4.121 2.167 ( 1.317 -1.460 0.083) 1.968 2.469 ( 4.500 -0.407 5.499) 7.117 2.694 ( 2.949 -1.424 4.163) 5.297 2.853 ( -7.992 0.267 -12.501) 14.840 3.104 ( 0.878 0.478 -2.263) 2.474 3.958 ( -1.581 1.351 4.165) 4.656 4.264 ( 2.794 -0.168 -1.499) 3.175 4.827 ( -5.518 0.395 3.846) 6.738 5.230 ( 1.616 0.553 5.034) 5.316 7.256 ( -9.781 1.959 20.349) 22.662 8.022 ( 6.137 2.434 -9.072) 11.220 9.458 ( -14.000 -1.132 2.641) 14.292 9.936 ( 2.860 -0.575 -18.844) 19.068 11.308 ( -5.517 0.260 16.098) 17.019 11.345 ( 0.449 -3.154 15.819) 16.137 14.616 ( -0.764 2.241 17.531) 17.690 14.889 ( -6.150 1.528 3.570) 7.273 16.113 ( 3.381 3.188 4.601) 6.539 16.929 ( -3.447 1.145 -12.540) 13.056 ======================= Grid point 364 (184/282) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -8.665 1.116 3.486) 9.407 1.366 ( -2.121 0.421 0.386) 2.196 1.598 ( -1.719 0.402 0.979) 2.019 1.679 ( 0.094 2.531 -0.259) 2.546 2.112 ( 4.327 0.664 -5.178) 6.780 2.189 ( -0.622 -0.988 0.698) 1.360 2.584 ( 3.992 -0.774 6.444) 7.620 2.664 ( -6.506 -0.143 -7.513) 9.939 2.794 ( 4.747 -2.436 0.509) 5.359 3.085 ( 1.229 0.564 -3.494) 3.746 3.942 ( -2.605 1.838 3.091) 4.440 4.284 ( 2.118 -0.110 -1.494) 2.594 4.798 ( -3.641 0.256 3.889) 5.333 5.282 ( 1.796 1.378 4.961) 5.453 7.254 ( -10.961 4.125 18.496) 21.892 7.960 ( 2.982 4.197 -9.278) 10.610 9.333 ( -14.025 -3.484 4.603) 15.166 9.835 ( 3.464 -0.018 -15.466) 15.849 11.359 ( -6.282 -0.527 14.266) 15.597 11.533 ( -0.196 -5.206 14.487) 15.395 14.694 ( -1.222 5.992 14.056) 15.329 14.813 ( -6.285 2.871 4.496) 8.244 16.119 ( 0.547 8.316 5.633) 10.059 16.774 ( -2.215 0.132 -11.905) 12.110 ======================= Grid point 365 (185/282) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -10.819 0.633 4.303) 11.661 1.334 ( -3.224 -0.005 0.871) 3.340 1.537 ( -5.951 0.731 -1.976) 6.313 1.661 ( 1.085 2.364 0.867) 2.741 2.130 ( 6.666 0.684 -5.260) 8.519 2.193 ( -1.437 -0.663 1.620) 2.265 2.547 ( -2.653 0.032 -4.618) 5.326 2.703 ( 1.530 -2.028 6.750) 7.212 2.878 ( 4.406 -1.925 -1.385) 5.004 3.075 ( 2.878 0.256 -2.972) 4.146 3.907 ( -3.212 1.349 2.092) 4.064 4.291 ( 1.717 0.108 -2.653) 3.162 4.799 ( -1.230 -0.486 3.631) 3.864 5.319 ( 0.798 1.959 4.616) 5.078 7.186 ( -12.243 6.218 14.340) 19.854 7.861 ( 2.563 3.865 -10.309) 11.304 9.285 ( -13.482 -4.770 13.254) 19.498 9.775 ( 4.264 0.200 -9.604) 10.510 11.403 ( -5.991 -1.686 11.421) 13.007 11.677 ( -2.944 -5.484 8.629) 10.640 14.647 ( -4.958 6.476 4.667) 9.397 14.767 ( -4.132 7.690 12.119) 14.936 16.012 ( -3.610 11.302 2.603) 12.146 16.711 ( 3.467 -1.550 -6.748) 7.744 ======================= Grid point 366 (186/282) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -9.754 -1.419 3.955) 10.621 1.281 ( -7.109 -0.457 -1.253) 7.233 1.445 ( -6.169 -0.709 2.089) 6.552 1.659 ( 1.520 2.313 1.132) 2.990 2.164 ( 5.609 0.921 -3.753) 6.811 2.201 ( -0.092 -0.307 1.680) 1.710 2.509 ( 0.791 0.021 -1.993) 2.144 2.773 ( -2.388 -2.751 3.792) 5.258 2.909 ( 2.348 0.672 -3.229) 4.048 3.118 ( 5.800 -0.800 -0.154) 5.857 3.869 ( -3.600 0.145 1.184) 3.793 4.280 ( 1.829 0.402 -4.488) 4.863 4.840 ( 1.019 -1.743 3.061) 3.667 5.329 ( -1.287 2.115 4.157) 4.838 7.052 ( -13.109 6.825 11.334) 18.625 7.777 ( 4.920 1.730 -12.462) 13.509 9.315 ( -12.367 -1.940 21.237) 24.652 9.791 ( 4.838 -1.210 -0.833) 5.056 11.434 ( -6.018 -2.414 7.762) 10.114 11.725 ( -5.246 -4.101 1.621) 6.853 14.555 ( -3.774 4.457 3.599) 6.860 14.682 ( -7.304 12.281 12.625) 19.067 15.856 ( -3.275 7.733 0.091) 8.398 16.764 ( 7.845 -0.946 -2.467) 8.278 ======================= Grid point 373 (187/282) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -8.774 -0.000 3.482) 9.440 1.371 ( -1.469 -0.000 -0.474) 1.543 1.603 ( -1.687 -0.000 1.097) 2.012 1.713 ( -0.103 -0.000 -0.801) 0.808 2.122 ( 3.738 0.000 -4.869) 6.138 2.168 ( -0.914 -0.000 1.375) 1.651 2.578 ( 4.493 0.000 6.685) 8.055 2.663 ( -6.912 -0.000 -8.244) 10.759 2.761 ( 4.544 0.000 1.017) 4.657 3.092 ( 0.991 0.000 -3.635) 3.768 3.965 ( -2.995 -0.000 2.675) 4.016 4.283 ( 2.013 0.000 -1.134) 2.311 4.801 ( -4.190 -0.000 3.866) 5.701 5.300 ( 2.084 0.000 4.931) 5.353 7.303 ( -11.603 -0.000 19.852) 22.994 8.013 ( 2.387 0.000 -9.366) 9.666 9.292 ( -14.662 -0.000 4.367) 15.298 9.832 ( 4.538 0.000 -16.623) 17.232 11.355 ( -6.631 -0.000 13.829) 15.337 11.470 ( 0.474 0.000 15.366) 15.373 14.773 ( 1.440 0.000 15.348) 15.415 14.843 ( -6.962 -0.000 2.977) 7.572 16.229 ( 3.600 0.000 7.479) 8.300 16.768 ( -5.707 -0.000 -13.381) 14.548 ======================= Grid point 374 (188/282) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -11.349 0.986 5.787) 12.777 1.339 ( -2.140 0.208 -1.115) 2.422 1.546 ( -7.225 0.146 -1.758) 7.437 1.707 ( 1.161 1.188 -0.227) 1.677 2.139 ( 5.996 0.191 -5.285) 7.995 2.167 ( -2.130 -1.010 1.837) 2.989 2.550 ( -2.981 0.038 -3.652) 4.714 2.676 ( 1.688 -0.391 6.372) 6.603 2.833 ( 5.068 -1.262 -0.501) 5.247 3.080 ( 2.388 0.118 -3.314) 4.086 3.933 ( -4.016 0.637 1.201) 4.240 4.292 ( 1.337 -0.023 -1.862) 2.292 4.791 ( -2.504 -0.202 3.652) 4.432 5.355 ( 1.091 0.851 4.377) 4.591 7.287 ( -13.291 2.202 15.935) 20.866 7.931 ( -0.204 1.713 -10.308) 10.452 9.205 ( -12.055 -1.804 13.803) 18.414 9.771 ( 4.767 -0.268 -12.407) 13.294 11.379 ( -6.299 -0.437 10.756) 12.472 11.588 ( -1.542 -1.952 10.788) 11.071 14.761 ( -7.072 2.810 3.257) 8.278 14.899 ( 1.930 2.849 12.528) 12.992 16.279 ( 0.190 9.717 6.515) 11.700 16.620 ( -2.866 -5.358 -10.006) 11.707 ======================= Grid point 375 (189/282) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -12.687 1.502 7.078) 14.605 1.281 ( -6.011 0.284 -3.114) 6.775 1.426 ( -8.769 -0.780 1.173) 8.882 1.711 ( 2.122 1.808 0.322) 2.806 2.170 ( -2.901 -1.558 2.551) 4.165 2.176 ( 7.258 -0.056 -5.564) 9.146 2.520 ( 0.401 0.536 0.342) 0.752 2.725 ( -2.104 -1.199 3.569) 4.313 2.897 ( 4.448 -1.123 -2.564) 5.256 3.106 ( 4.605 -0.283 -0.639) 4.658 3.877 ( -4.630 0.363 -0.031) 4.644 4.285 ( 1.067 0.050 -3.302) 3.471 4.806 ( -0.836 -1.048 3.170) 3.442 5.374 ( -1.216 1.525 3.757) 4.233 7.183 ( -14.984 3.995 10.930) 18.973 7.817 ( 0.282 1.385 -11.815) 11.899 9.273 ( -6.932 -1.346 25.476) 26.436 9.756 ( 4.319 -1.487 -6.487) 7.934 11.390 ( -5.834 -1.280 7.530) 9.611 11.646 ( -3.527 -2.403 4.349) 6.093 14.661 ( -6.691 4.120 3.730) 8.698 14.949 ( 0.594 8.244 10.477) 13.345 16.098 ( -6.742 13.054 -1.065) 14.730 16.684 ( 5.219 -6.426 -0.771) 8.314 ======================= Grid point 376 (190/282) ======================= q-point: (-0.10 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -10.510 -0.275 7.058) 12.663 1.127 ( -13.035 -1.098 -2.357) 13.292 1.405 ( -3.875 -1.357 7.027) 8.139 1.719 ( 2.564 2.285 0.305) 3.448 2.168 ( -3.419 -1.370 1.993) 4.188 2.223 ( 6.496 -0.622 -5.144) 8.309 2.544 ( 2.930 0.998 2.257) 3.831 2.716 ( -4.595 -1.712 0.555) 4.935 2.917 ( 2.285 0.670 -3.363) 4.121 3.186 ( 5.594 -1.356 1.345) 5.911 3.813 ( -5.111 -0.550 -0.878) 5.215 4.265 ( 1.526 0.152 -4.851) 5.087 4.845 ( -0.032 -2.305 2.442) 3.358 5.350 ( -4.145 1.724 3.285) 5.563 7.027 ( -15.160 3.977 9.551) 18.354 7.725 ( 3.246 -0.451 -13.672) 14.059 9.435 ( -2.438 3.685 26.319) 26.687 9.834 ( 4.867 -3.944 5.815) 8.547 11.387 ( -5.557 -1.676 4.499) 7.344 11.629 ( -4.633 -1.763 -1.833) 5.285 14.577 ( -4.857 3.158 4.786) 7.514 14.873 ( -4.375 15.283 9.556) 18.548 15.873 ( -6.521 7.110 -1.480) 9.761 16.825 ( 7.730 -3.599 -0.541) 8.544 ======================= Grid point 384 (191/282) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -13.101 -0.000 8.092) 15.399 1.286 ( -5.760 -0.000 -3.964) 6.992 1.416 ( -9.662 -0.000 1.030) 9.717 1.734 ( 2.333 0.000 -0.180) 2.340 2.145 ( -3.558 -0.000 2.655) 4.439 2.176 ( 6.995 0.000 -5.685) 9.014 2.526 ( 0.528 0.000 0.946) 1.083 2.713 ( -2.111 -0.000 3.494) 4.082 2.880 ( 5.459 0.000 -2.321) 5.932 3.103 ( 3.820 0.000 -0.532) 3.857 3.882 ( -5.038 -0.000 -0.527) 5.066 4.285 ( 0.803 0.000 -2.868) 2.978 4.793 ( -1.547 -0.000 3.269) 3.617 5.393 ( -1.167 -0.000 3.527) 3.715 7.232 ( -15.664 -0.000 10.907) 19.087 7.834 ( -1.682 -0.000 -11.566) 11.688 9.257 ( -4.669 -0.000 27.381) 27.776 9.735 ( 4.001 0.000 -8.943) 9.797 11.375 ( -5.861 -0.000 7.327) 9.383 11.617 ( -3.019 -0.000 5.403) 6.190 14.716 ( -7.494 -0.000 4.122) 8.553 15.043 ( 3.539 0.000 8.599) 9.299 16.389 ( -6.163 -0.000 -12.839) 14.242 16.488 ( 4.183 0.000 11.534) 12.269 ======================= Grid point 385 (192/282) ======================= q-point: (-0.20 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -13.515 1.236 9.767) 16.721 1.109 ( -14.759 -0.420 -3.265) 15.122 1.384 ( -2.884 -0.419 6.478) 7.103 1.759 ( 2.740 0.965 -0.188) 2.911 2.121 ( -5.324 -1.629 2.656) 6.169 2.215 ( 6.875 -0.167 -6.228) 9.278 2.562 ( 2.306 0.429 3.196) 3.965 2.692 ( -3.817 -0.421 0.674) 3.899 2.922 ( 4.852 0.015 -3.687) 6.094 3.160 ( 3.493 -0.674 1.985) 4.073 3.806 ( -5.533 -0.115 -1.706) 5.791 4.266 ( 0.887 0.005 -3.979) 4.076 4.806 ( -1.225 -0.863 2.765) 3.145 5.381 ( -4.390 0.732 2.846) 5.283 7.093 ( -16.969 1.468 7.989) 18.813 7.718 ( -0.086 -0.112 -12.791) 12.792 9.522 ( 5.343 3.089 33.160) 33.729 9.737 ( 3.367 -3.438 -1.768) 5.127 11.359 ( -5.293 -0.637 4.784) 7.163 11.600 ( -3.803 -0.664 -0.163) 3.864 14.649 ( -7.185 2.107 5.190) 9.111 15.116 ( 3.006 4.547 5.058) 7.437 16.134 ( -6.107 12.149 -7.393) 15.477 16.685 ( 4.802 -7.311 5.588) 10.379 ======================= Grid point 386 (193/282) ======================= q-point: (-0.10 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -10.745 0.317 9.992) 14.677 0.937 ( -14.587 -1.808 4.749) 15.447 1.429 ( -1.645 -0.394 8.968) 9.126 1.773 ( 2.318 1.545 -0.786) 2.894 2.100 ( -5.730 -2.965 2.494) 6.917 2.243 ( 5.789 -0.557 -7.044) 9.134 2.615 ( 1.456 0.381 3.502) 3.812 2.651 ( -2.643 -0.202 -0.549) 2.707 2.932 ( 2.867 1.350 -3.290) 4.568 3.231 ( 2.394 -2.053 1.680) 3.574 3.725 ( -5.445 -0.601 -1.950) 5.815 4.245 ( 1.704 0.009 -4.629) 4.933 4.826 ( -1.952 -2.056 2.293) 3.646 5.319 ( -7.173 0.933 2.509) 7.657 6.938 ( -15.898 1.116 9.133) 18.368 7.637 ( 3.540 -1.541 -13.691) 14.225 9.646 ( 1.407 3.473 4.028) 5.501 10.039 ( 15.210 -0.233 29.398) 33.101 11.339 ( -4.798 -0.880 3.345) 5.915 11.543 ( -3.190 -0.107 -3.424) 4.681 14.587 ( -5.808 1.953 5.954) 8.544 15.069 ( -1.207 13.278 3.723) 13.843 15.863 ( -7.710 10.208 -2.515) 13.038 16.837 ( 4.041 -6.327 -2.540) 7.925 ======================= Grid point 395 (194/282) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -13.266 -0.000 11.941) 17.849 0.915 ( -15.337 -0.000 4.706) 16.043 1.425 ( -0.762 -0.000 8.612) 8.645 1.791 ( 2.058 0.000 -0.968) 2.274 2.056 ( -6.255 -0.000 2.260) 6.651 2.237 ( 5.575 0.000 -6.959) 8.916 2.621 ( 1.730 0.000 3.579) 3.975 2.646 ( -3.104 -0.000 -0.193) 3.110 2.952 ( 4.763 0.000 -4.297) 6.415 3.202 ( 0.649 0.000 2.807) 2.882 3.719 ( -5.281 -0.000 -2.270) 5.748 4.245 ( 1.367 0.000 -4.173) 4.391 4.801 ( -2.434 -0.000 2.592) 3.556 5.331 ( -7.518 -0.000 2.260) 7.850 6.951 ( -16.986 -0.000 8.054) 18.798 7.619 ( 2.199 0.000 -13.319) 13.499 9.688 ( 0.220 0.000 -4.081) 4.087 10.036 ( 21.715 0.000 35.623) 41.720 11.328 ( -4.688 -0.000 3.745) 6.001 11.542 ( -2.324 -0.000 -2.322) 3.286 14.617 ( -7.538 -0.000 6.233) 9.781 15.205 ( 3.413 0.000 0.010) 3.413 16.093 ( -1.271 -0.000 -10.218) 10.296 16.707 ( -1.310 -0.000 2.831) 3.119 ======================= Grid point 396 (195/282) ======================= q-point: (-0.10 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -10.610 0.164 12.977) 16.763 0.839 ( -9.846 -1.379 13.719) 16.942 1.496 ( -0.278 0.286 9.729) 9.737 1.791 ( 0.583 0.555 -2.185) 2.329 2.015 ( -5.284 -2.345 1.942) 6.098 2.234 ( 3.379 -0.322 -7.839) 8.542 2.612 ( -1.273 1.101 0.200) 1.695 2.667 ( 0.846 -0.969 2.303) 2.639 2.959 ( 2.827 1.172 -3.580) 4.710 3.224 ( -1.533 -1.559 1.330) 2.559 3.648 ( -3.549 -0.211 -1.164) 3.741 4.234 ( 2.184 -0.014 -3.754) 4.343 4.790 ( -3.993 -1.172 2.748) 4.987 5.243 ( -8.894 0.190 2.156) 9.154 6.827 ( -15.015 -0.396 10.229) 18.173 7.562 ( 5.568 -1.303 -13.483) 14.645 9.652 ( -1.200 -0.182 -2.598) 2.868 10.561 ( 25.375 3.295 14.862) 29.591 11.307 ( -4.167 -0.227 4.211) 5.929 11.551 ( 6.844 1.814 5.362) 8.881 14.574 ( -6.984 0.483 6.465) 9.530 15.191 ( 1.235 6.411 -3.264) 7.300 15.906 ( -4.599 15.400 -4.397) 16.663 16.676 ( -8.860 -10.681 -9.153) 16.624 ======================= Grid point 406 (196/282) ======================= q-point: (-0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -8.186 -0.000 14.679) 16.808 0.884 ( -3.032 -0.000 17.404) 17.666 1.579 ( 0.302 0.000 9.002) 9.007 1.768 ( -0.950 -0.000 -3.174) 3.313 1.959 ( -3.094 -0.000 0.900) 3.222 2.188 ( 0.256 0.000 -8.055) 8.059 2.635 ( 2.742 0.000 0.271) 2.755 2.672 ( -1.047 -0.000 2.293) 2.521 2.953 ( 0.638 0.000 -4.754) 4.797 3.192 ( -3.463 -0.000 0.717) 3.536 3.621 ( -0.586 -0.000 1.149) 1.289 4.236 ( 2.460 0.000 -2.812) 3.736 4.750 ( -5.240 -0.000 3.464) 6.281 5.153 ( -8.211 -0.000 2.372) 8.547 6.738 ( -13.199 -0.000 11.796) 17.702 7.526 ( 7.939 0.000 -13.225) 15.424 9.605 ( -2.070 -0.000 -2.543) 3.279 10.784 ( 9.076 0.000 -15.538) 17.995 11.304 ( -3.625 -0.000 6.887) 7.783 11.937 ( 33.775 0.000 16.339) 37.520 14.538 ( -7.293 -0.000 6.131) 9.528 15.189 ( -0.516 -0.000 -8.942) 8.957 16.013 ( 6.510 0.000 -7.341) 9.812 16.187 ( -37.511 -0.000 -10.111) 38.849 ======================= Grid point 407 (197/282) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -3.432 -0.000 9.205) 9.824 1.280 ( 3.955 0.000 -0.494) 3.986 1.630 ( 2.793 0.000 -2.731) 3.906 1.649 ( 0.634 0.000 -1.492) 1.621 1.916 ( -3.747 -0.000 0.358) 3.764 1.932 ( -0.386 -0.000 -2.853) 2.879 2.694 ( 4.713 0.000 -3.204) 5.699 2.715 ( -1.897 -0.000 -5.155) 5.493 2.918 ( 0.329 0.000 9.044) 9.050 3.092 ( -3.058 -0.000 -0.399) 3.084 3.841 ( 0.681 0.000 8.312) 8.340 4.164 ( 1.769 0.000 -5.788) 6.053 4.821 ( -5.849 -0.000 7.711) 9.678 5.085 ( 2.830 0.000 -2.536) 3.800 6.920 ( -9.075 -0.000 11.915) 14.978 7.330 ( 8.924 0.000 -9.860) 13.299 9.599 ( -2.374 -0.000 6.906) 7.303 10.072 ( -3.213 -0.000 -15.764) 16.089 11.744 ( -2.951 -0.000 20.394) 20.606 12.653 ( 14.988 0.000 -19.999) 24.992 14.511 ( -16.019 -0.000 1.842) 16.124 14.515 ( -4.716 -0.000 1.686) 5.008 15.484 ( -20.000 -0.000 9.672) 22.216 15.977 ( 17.557 0.000 -11.212) 20.831 ======================= Grid point 408 (198/282) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.425 -1.668 7.054) 7.644 1.321 ( 3.351 -1.948 -3.570) 5.270 1.616 ( -0.978 2.142 -1.435) 2.757 1.636 ( 1.851 1.853 -1.477) 3.007 1.922 ( 0.542 -2.791 0.511) 2.889 1.938 ( 2.068 -1.700 0.253) 2.689 2.647 ( -2.678 -0.092 -4.727) 5.433 2.713 ( 3.010 0.206 -2.806) 4.120 2.990 ( 1.097 1.627 7.062) 7.330 3.056 ( -1.216 0.367 -0.380) 1.326 3.913 ( -0.283 -0.095 7.904) 7.910 4.135 ( 2.009 -0.688 -7.448) 7.744 4.831 ( -3.307 -0.552 7.525) 8.238 5.119 ( 4.993 -0.752 -2.602) 5.681 6.928 ( -8.463 -3.140 11.686) 14.766 7.372 ( 9.249 -1.831 -10.239) 13.918 9.651 ( -0.207 -0.109 9.230) 9.233 9.901 ( -4.934 1.625 -10.456) 11.675 11.839 ( -7.063 2.169 19.219) 20.591 12.494 ( -1.978 6.617 -22.907) 23.926 14.431 ( -8.375 -1.931 11.154) 14.081 14.510 ( -1.440 -2.439 3.261) 4.320 15.397 ( -10.492 -4.556 8.208) 14.079 16.141 ( 18.513 -3.635 -9.972) 21.340 ======================= Grid point 409 (199/282) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -3.346 -1.058 4.675) 5.845 1.347 ( 0.610 -3.169 -3.482) 4.748 1.559 ( -1.295 3.089 0.379) 3.371 1.625 ( 1.877 1.917 -1.428) 3.039 1.977 ( 3.252 -1.545 1.022) 3.742 2.022 ( 3.326 -4.316 1.105) 5.560 2.569 ( -2.712 1.136 -4.287) 5.199 2.733 ( 1.918 -1.563 -0.924) 2.641 2.994 ( -0.960 2.801 1.634) 3.382 3.072 ( 2.650 1.015 2.451) 3.750 3.955 ( -1.915 0.578 5.667) 6.009 4.116 ( 2.955 -1.978 -8.003) 8.758 4.874 ( -0.668 -0.342 7.194) 7.233 5.177 ( 5.672 -1.496 -2.920) 6.553 6.974 ( -7.983 -5.704 11.001) 14.741 7.427 ( 8.700 -2.849 -10.383) 13.843 9.726 ( -2.472 1.884 1.394) 3.407 9.766 ( -1.710 1.156 6.205) 6.539 11.826 ( -10.646 3.836 13.040) 17.265 12.171 ( -7.726 6.461 -17.488) 20.181 14.473 ( -4.708 -2.151 10.476) 11.685 14.581 ( -1.557 -3.537 7.595) 8.522 15.454 ( -3.206 -8.455 6.351) 11.050 16.341 ( 17.749 -3.914 -7.222) 19.557 ======================= Grid point 410 (200/282) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.700 1.755 2.657) 5.677 1.353 ( -2.801 -2.455 -0.017) 3.724 1.525 ( -0.472 1.508 0.466) 1.648 1.617 ( 1.318 1.247 -0.676) 1.936 2.049 ( 3.850 -1.239 1.264) 4.237 2.115 ( 2.820 -3.695 -0.300) 4.658 2.498 ( -0.809 1.546 -2.466) 3.020 2.782 ( 1.007 -3.133 1.048) 3.454 2.950 ( -1.794 2.672 -0.525) 3.261 3.119 ( 4.503 2.102 2.831) 5.719 3.948 ( -2.585 0.948 2.137) 3.485 4.116 ( 2.814 -2.381 -7.532) 8.385 4.932 ( 0.723 0.662 6.523) 6.596 5.240 ( 4.911 -2.010 -3.093) 6.142 7.038 ( -7.803 -6.615 10.034) 14.329 7.477 ( 7.456 -2.934 -10.382) 13.114 9.628 ( -5.365 2.548 2.942) 6.628 9.884 ( 3.188 0.979 13.649) 14.050 11.715 ( -11.247 3.827 5.173) 12.957 11.892 ( -7.028 3.622 -13.086) 15.289 14.526 ( -3.342 -1.844 8.431) 9.254 14.655 ( -5.098 -3.339 10.383) 12.039 15.592 ( 0.661 -8.828 3.922) 9.682 16.544 ( 15.183 -2.818 -3.229) 15.776 ======================= Grid point 411 (201/282) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -5.023 3.393 2.889) 6.716 1.324 ( -6.962 0.344 4.329) 8.205 1.520 ( 1.112 -0.024 -0.649) 1.288 1.620 ( 0.914 -0.092 0.000) 0.918 2.110 ( 3.031 -0.329 0.259) 3.060 2.169 ( 1.930 -2.461 -2.313) 3.890 2.492 ( 2.267 -0.303 1.141) 2.556 2.831 ( -1.536 -2.410 1.129) 3.072 2.878 ( -2.529 2.581 -1.080) 3.771 3.186 ( 6.041 1.897 3.154) 7.074 3.909 ( -3.532 1.276 0.635) 3.809 4.111 ( 2.754 -2.067 -8.166) 8.862 4.976 ( 0.254 1.798 5.720) 6.001 5.289 ( 2.983 -2.091 -3.084) 4.773 7.095 ( -7.864 -5.552 9.356) 13.424 7.502 ( 5.840 -1.801 -10.483) 12.135 9.604 ( -2.637 0.955 8.121) 8.592 10.030 ( 3.571 1.604 14.969) 15.472 11.565 ( -9.035 2.603 -0.514) 9.417 11.687 ( -5.881 1.346 -10.681) 12.267 14.572 ( -2.372 -1.712 6.096) 6.762 14.713 ( -7.123 -4.365 11.355) 14.097 15.715 ( 0.729 -5.907 1.421) 6.119 16.721 ( 11.507 -1.285 -0.611) 11.594 ======================= Grid point 412 (202/282) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -4.938 2.821 4.855) 7.478 1.252 ( -9.182 2.594 7.867) 12.366 1.535 ( 1.955 0.281 -0.366) 2.008 1.645 ( 1.743 -1.494 -0.206) 2.304 2.130 ( 1.947 0.968 -1.767) 2.802 2.193 ( 1.463 -2.137 -2.947) 3.923 2.570 ( 3.619 -2.096 4.171) 5.906 2.750 ( -5.995 2.318 -2.815) 7.017 2.878 ( -0.068 -0.518 1.964) 2.032 3.262 ( 4.835 1.425 2.290) 5.536 3.839 ( -5.396 1.981 0.704) 5.791 4.105 ( 3.737 -1.745 -8.036) 9.033 4.989 ( -1.554 2.434 5.360) 6.089 5.307 ( 0.296 -1.741 -3.129) 3.593 7.124 ( -8.177 -2.938 9.384) 12.789 7.488 ( 4.646 0.311 -10.384) 11.381 9.658 ( -0.079 -0.209 8.050) 8.053 10.187 ( 4.715 0.689 14.568) 15.328 11.440 ( -5.526 1.049 -1.888) 5.933 11.533 ( -5.019 -0.021 -7.968) 9.417 14.610 ( -1.542 -1.729 4.075) 4.687 14.777 ( -7.169 -6.607 10.102) 14.039 15.767 ( -0.709 -2.144 0.008) 2.258 16.837 ( 7.213 0.552 -1.474) 7.382 ======================= Grid point 413 (203/282) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -4.741 0.958 7.838) 9.210 1.187 ( -7.947 3.252 11.284) 14.179 1.550 ( 2.536 1.176 -0.778) 2.902 1.685 ( 2.094 -1.775 -1.385) 3.074 2.115 ( 1.089 0.834 -3.469) 3.731 2.202 ( 0.078 -0.626 -1.696) 1.810 2.625 ( -5.701 1.166 -2.973) 6.535 2.678 ( 2.432 -1.978 5.137) 6.018 2.897 ( 1.081 0.432 1.115) 1.612 3.291 ( 0.759 1.339 -0.463) 1.607 3.753 ( -5.634 2.308 2.246) 6.489 4.116 ( 4.545 -1.328 -6.146) 7.758 4.971 ( -3.820 2.476 5.714) 7.305 5.284 ( -2.339 -1.025 -3.289) 4.164 7.116 ( -8.764 0.207 9.981) 13.284 7.444 ( 4.663 2.416 -9.869) 11.179 9.702 ( -1.130 0.675 3.539) 3.776 10.373 ( 7.920 -2.218 6.934) 10.758 11.379 ( -2.690 -0.216 1.081) 2.907 11.458 ( -0.860 -1.900 -0.886) 2.266 14.640 ( -1.606 -1.697 2.858) 3.691 14.854 ( -6.281 -8.457 6.371) 12.311 15.756 ( -1.978 0.593 -0.292) 2.086 16.845 ( 1.605 3.256 -5.457) 6.554 ======================= Grid point 414 (204/282) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -4.529 -0.399 10.548) 11.486 1.173 ( -4.699 3.004 12.840) 13.999 1.558 ( 3.766 1.394 -3.102) 5.075 1.705 ( 0.952 -0.875 -2.366) 2.697 2.083 ( -0.246 0.334 -3.895) 3.917 2.172 ( -2.666 1.866 -0.370) 3.276 2.552 ( -1.888 -1.479 -2.581) 3.523 2.753 ( -0.312 -0.748 5.796) 5.852 2.909 ( 2.112 1.189 -1.611) 2.910 3.245 ( -3.589 0.517 -2.421) 4.360 3.701 ( -3.116 1.954 4.999) 6.206 4.143 ( 4.441 -0.834 -4.130) 6.122 4.934 ( -5.857 2.124 6.563) 9.049 5.223 ( -3.722 -0.116 -3.427) 5.061 7.071 ( -9.298 2.580 10.703) 14.410 7.390 ( 5.529 3.737 -9.343) 11.481 9.678 ( -3.137 1.256 0.933) 3.506 10.477 ( 4.717 -2.445 -10.438) 11.712 11.397 ( -1.129 -0.603 6.888) 7.006 11.605 ( 12.474 -6.724 8.679) 16.617 14.653 ( -2.896 -1.266 2.270) 3.891 14.911 ( -6.025 -8.276 0.648) 10.257 15.714 ( -2.421 0.895 0.054) 2.582 16.690 ( -6.089 7.762 -10.197) 14.188 ======================= Grid point 415 (205/282) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -4.619 -0.067 11.851) 12.719 1.200 ( -1.473 2.671 10.218) 10.663 1.566 ( 4.860 0.391 -4.684) 6.762 1.692 ( -0.039 0.187 -2.743) 2.750 2.036 ( -1.775 0.180 -3.715) 4.121 2.092 ( -4.717 2.740 -0.367) 5.467 2.570 ( 2.551 -3.117 -1.628) 4.344 2.792 ( -1.126 0.739 6.143) 6.289 2.879 ( -0.038 1.733 -4.166) 4.512 3.178 ( -4.344 -1.060 -1.550) 4.732 3.711 ( -0.550 1.274 7.077) 7.212 4.170 ( 3.626 -0.391 -3.458) 5.026 4.888 ( -7.212 1.593 7.398) 10.453 5.148 ( -2.903 0.514 -3.345) 4.459 7.009 ( -9.501 3.338 11.352) 15.175 7.343 ( 6.622 3.733 -9.230) 11.957 9.628 ( -3.978 0.929 1.653) 4.407 10.396 ( -0.021 -1.622 -18.709) 18.779 11.474 ( -0.625 -0.922 12.021) 12.073 12.016 ( 24.847 -9.491 5.642) 27.190 14.631 ( -4.937 -0.327 2.003) 5.338 14.889 ( -8.028 -5.594 -5.729) 11.338 15.691 ( -3.230 -2.356 1.159) 4.163 16.348 ( -12.257 13.776 -11.750) 21.865 ======================= Grid point 416 (206/282) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -4.712 0.881 11.340) 12.312 1.237 ( 1.850 1.750 4.455) 5.131 1.597 ( 4.741 -1.123 -3.614) 6.066 1.664 ( 0.018 0.419 -2.563) 2.597 1.976 ( -2.763 0.302 -2.849) 3.981 1.996 ( -4.550 2.142 -1.374) 5.214 2.640 ( 4.921 -2.363 -2.038) 5.827 2.784 ( -0.400 1.875 -4.157) 4.578 2.854 ( -1.900 -0.056 7.151) 7.399 3.133 ( -3.707 -1.005 -0.805) 3.924 3.766 ( 0.661 0.560 8.063) 8.110 4.180 ( 2.534 -0.045 -4.225) 4.927 4.845 ( -7.310 0.866 7.763) 10.698 5.095 ( -0.230 0.517 -2.922) 2.976 6.952 ( -9.454 2.405 11.795) 15.306 7.319 ( 7.873 2.217 -9.473) 12.515 9.594 ( -3.738 0.437 4.143) 5.597 10.241 ( -1.842 -1.138 -18.905) 19.029 11.599 ( -0.829 -1.049 17.076) 17.129 12.448 ( 26.511 -7.131 -6.698) 28.259 14.575 ( -6.199 0.364 1.740) 6.449 14.738 ( -13.616 -1.586 -8.009) 15.877 15.670 ( -17.603 -4.726 6.848) 19.470 15.978 ( 3.468 13.709 -11.956) 18.518 ======================= Grid point 418 (207/282) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.156 -0.000 5.140) 5.269 1.305 ( 1.658 0.000 -4.396) 4.698 1.607 ( -1.623 -0.000 -0.531) 1.708 1.657 ( 1.664 0.000 -1.582) 2.296 1.937 ( 3.153 0.000 1.422) 3.459 1.974 ( 4.098 0.000 1.267) 4.290 2.583 ( -2.342 -0.000 -3.339) 4.079 2.713 ( 0.618 0.000 -1.609) 1.724 3.034 ( -1.083 -0.000 -1.188) 1.607 3.081 ( 2.506 0.000 5.751) 6.273 3.966 ( -1.388 -0.000 6.910) 7.048 4.088 ( 2.680 0.000 -9.303) 9.681 4.870 ( 0.069 0.000 7.410) 7.411 5.158 ( 5.675 0.000 -3.219) 6.525 6.904 ( -7.880 -0.000 11.558) 13.989 7.393 ( 9.973 0.000 -11.072) 14.902 9.749 ( 1.617 0.000 12.196) 12.302 9.779 ( -6.564 -0.000 -3.996) 7.685 11.875 ( -12.012 -0.000 14.261) 18.646 12.254 ( -9.832 -0.000 -21.604) 23.736 14.449 ( -5.217 -0.000 13.304) 14.290 14.539 ( 1.944 0.000 6.491) 6.776 15.346 ( -2.618 -0.000 5.855) 6.414 16.291 ( 19.562 0.000 -6.822) 20.717 ======================= Grid point 419 (208/282) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.709 0.911 3.697) 3.873 1.298 ( 0.042 -1.595 -1.555) 2.227 1.573 ( -1.758 1.621 0.210) 2.400 1.649 ( 1.495 1.250 -2.913) 3.504 2.001 ( 2.999 -2.330 0.125) 3.800 2.051 ( 4.255 -1.112 2.415) 5.017 2.532 ( -1.455 0.963 -1.882) 2.566 2.721 ( 0.055 -1.598 0.978) 1.874 2.999 ( -1.499 1.195 -1.885) 2.688 3.155 ( 3.679 0.860 4.252) 5.688 3.979 ( -2.374 1.433 3.505) 4.469 4.060 ( 3.392 -2.011 -8.916) 9.750 4.946 ( 2.328 0.405 7.009) 7.397 5.201 ( 5.008 -0.995 -3.793) 6.361 6.924 ( -6.770 -2.638 11.439) 13.551 7.430 ( 9.952 -0.966 -11.368) 15.140 9.678 ( -7.308 1.314 3.053) 8.028 9.889 ( 2.996 -0.166 13.871) 14.192 11.783 ( -14.328 1.592 6.336) 15.747 11.956 ( -9.518 1.512 -17.014) 19.554 14.492 ( -6.623 -0.878 13.148) 14.748 14.637 ( 2.229 0.671 9.483) 9.765 15.423 ( 3.441 -4.470 3.823) 6.815 16.494 ( 18.233 -1.203 -3.636) 18.630 ======================= Grid point 420 (209/282) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.422 3.934 2.463) 4.661 1.314 ( -2.147 -1.197 3.487) 4.267 1.534 ( -0.261 1.547 -1.649) 2.277 1.626 ( 0.142 0.394 -1.803) 1.851 2.059 ( 1.939 -3.394 -1.648) 4.242 2.131 ( 3.177 -0.734 2.202) 3.935 2.502 ( 0.146 0.882 0.159) 0.908 2.762 ( -0.865 -2.725 2.632) 3.886 2.938 ( -2.189 2.032 -2.192) 3.705 3.228 ( 5.230 1.422 3.265) 6.328 3.945 ( -2.332 1.747 0.445) 2.948 4.058 ( 3.084 -2.331 -8.077) 8.955 5.018 ( 2.104 1.650 5.827) 6.411 5.240 ( 3.276 -1.889 -3.616) 5.233 6.983 ( -5.414 -3.620 11.459) 13.180 7.469 ( 9.346 -0.922 -11.104) 14.542 9.629 ( -5.908 1.011 8.939) 10.762 10.047 ( 3.118 0.082 14.136) 14.476 11.615 ( -12.653 1.494 -0.230) 12.743 11.713 ( -7.413 0.746 -13.372) 15.308 14.524 ( -7.861 -1.717 12.583) 14.936 14.716 ( 0.729 3.045 10.345) 10.809 15.570 ( 5.268 -5.770 2.134) 8.099 16.695 ( 14.853 -0.808 -1.203) 14.924 ======================= Grid point 421 (210/282) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.301 6.376 2.493) 6.853 1.310 ( -5.856 1.964 8.137) 10.216 1.519 ( 3.256 -0.795 -4.462) 5.581 1.622 ( -0.523 -0.783 0.911) 1.310 2.104 ( 1.471 -3.678 -2.689) 4.788 2.171 ( 1.583 0.789 0.025) 1.769 2.529 ( 1.905 -1.223 3.027) 3.780 2.765 ( -5.788 -1.259 -0.668) 5.961 2.890 ( 0.661 1.769 1.026) 2.149 3.299 ( 5.213 1.547 1.627) 5.676 3.889 ( -4.057 2.135 0.998) 4.691 4.060 ( 4.435 -2.022 -8.573) 9.862 5.049 ( -0.012 2.582 4.513) 5.200 5.262 ( 0.805 -1.995 -2.949) 3.650 7.057 ( -4.430 -2.564 11.778) 12.842 7.495 ( 8.520 0.260 -10.423) 13.465 9.656 ( -2.656 -0.043 10.944) 11.262 10.189 ( 1.921 -0.295 12.166) 12.320 11.457 ( -8.452 0.375 -2.330) 8.775 11.529 ( -6.220 -0.273 -9.874) 11.673 14.550 ( -7.540 -2.402 10.998) 13.550 14.761 ( -0.457 3.762 10.337) 11.010 15.700 ( 4.021 -3.641 0.920) 5.501 16.847 ( 10.539 0.405 -1.403) 10.640 ======================= Grid point 422 (211/282) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.497 6.417 3.975) 7.565 1.273 ( -6.458 3.762 10.818) 13.148 1.548 ( 4.436 -1.131 -4.219) 6.225 1.644 ( -0.087 -1.695 1.343) 2.165 2.135 ( 0.374 -1.238 -1.221) 1.778 2.164 ( 1.688 -0.420 -3.708) 4.096 2.612 ( 0.813 -2.479 4.433) 5.143 2.662 ( -6.254 0.474 -2.618) 6.796 2.912 ( 1.826 1.084 2.516) 3.293 3.329 ( 2.006 1.690 -1.925) 3.253 3.816 ( -4.835 2.927 2.921) 6.362 4.079 ( 5.558 -1.720 -7.006) 9.107 5.036 ( -2.631 2.866 4.340) 5.829 5.255 ( -1.542 -1.421 -2.685) 3.407 7.118 ( -4.530 0.027 12.253) 13.064 7.501 ( 7.960 2.214 -9.370) 12.493 9.715 ( -0.801 0.330 6.284) 6.343 10.309 ( 1.858 -2.938 6.693) 7.542 11.368 ( -4.347 -0.587 -0.089) 4.388 11.415 ( -4.516 -1.755 -2.631) 5.513 14.577 ( -6.060 -2.915 8.328) 10.704 14.794 ( -1.598 2.864 10.029) 10.552 15.766 ( 1.948 -0.272 0.666) 2.076 16.911 ( 5.987 2.363 -4.647) 7.939 ======================= Grid point 423 (212/282) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.453 4.468 6.890) 8.224 1.257 ( -4.066 3.918 12.385) 13.612 1.571 ( 3.644 -0.100 -4.361) 5.684 1.673 ( -0.087 -1.900 0.028) 1.903 2.106 ( -1.126 1.683 -1.530) 2.538 2.179 ( 1.895 -1.621 -3.855) 4.592 2.536 ( -5.619 0.022 -2.653) 6.214 2.714 ( 0.829 -2.454 5.250) 5.854 2.938 ( 2.266 1.383 0.773) 2.765 3.269 ( -3.153 1.482 -5.426) 6.448 3.765 ( -2.905 3.332 5.715) 7.226 4.118 ( 5.340 -1.290 -4.662) 7.205 4.994 ( -4.965 2.801 5.260) 7.756 5.216 ( -2.648 -0.505 -2.792) 3.881 7.141 ( -5.619 3.061 12.493) 14.037 7.487 ( 7.764 4.184 -8.287) 12.102 9.711 ( -1.886 1.475 -0.191) 2.402 10.391 ( 1.567 -4.838 -6.363) 8.145 11.377 ( -1.700 -1.192 7.568) 7.848 11.444 ( 1.705 -6.018 6.483) 9.008 14.603 ( -4.642 -2.721 5.370) 7.602 14.818 ( -3.430 1.348 8.885) 9.619 15.771 ( 0.013 2.739 1.499) 3.123 16.851 ( 1.027 5.698 -9.620) 11.228 ======================= Grid point 424 (213/282) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.474 2.705 9.614) 9.998 1.279 ( -1.425 3.745 11.306) 11.995 1.571 ( 3.429 0.129 -5.827) 6.763 1.681 ( -1.098 -1.287 -0.869) 1.902 2.055 ( -1.707 1.469 -2.111) 3.087 2.154 ( -1.575 1.749 -2.750) 3.620 2.499 ( 0.538 -2.567 -1.660) 3.104 2.783 ( -0.454 -1.383 5.698) 5.881 2.932 ( 1.173 2.424 -3.380) 4.322 3.158 ( -5.348 -0.362 -4.422) 6.949 3.761 ( -0.832 2.943 7.594) 8.186 4.157 ( 4.305 -0.728 -3.519) 5.608 4.938 ( -6.618 2.529 6.514) 9.625 5.161 ( -1.960 0.518 -2.896) 3.535 7.116 ( -6.795 5.338 12.373) 15.092 7.457 ( 7.477 5.551 -7.844) 12.176 9.654 ( -2.576 1.168 -1.677) 3.288 10.336 ( -1.729 -3.616 -16.983) 17.450 11.448 ( -1.831 -1.108 11.912) 12.103 11.732 ( 12.571 -13.131 10.142) 20.816 14.609 ( -4.403 -1.546 3.280) 5.704 14.811 ( -6.477 0.697 6.126) 8.942 15.735 ( -2.141 4.390 3.727) 6.144 16.640 ( -3.061 10.590 -14.167) 17.951 ======================= Grid point 425 (214/282) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.536 2.508 10.846) 11.238 1.307 ( 0.657 3.779 6.804) 7.811 1.569 ( 3.745 -0.897 -5.612) 6.806 1.662 ( -1.696 -0.708 -2.209) 2.874 1.997 ( -2.049 1.334 -1.906) 3.100 2.070 ( -3.010 3.588 -1.739) 4.995 2.564 ( 4.678 -3.502 -0.678) 5.883 2.835 ( 0.022 0.682 1.946) 2.062 2.853 ( -2.260 1.269 -2.308) 3.471 3.095 ( -3.493 -1.889 -1.583) 4.275 3.795 ( 0.121 1.995 8.456) 8.688 4.178 ( 3.155 -0.126 -4.014) 5.107 4.882 ( -7.183 2.111 7.369) 10.505 5.116 ( 0.295 1.170 -2.746) 2.999 7.058 ( -7.702 6.188 12.144) 15.656 7.415 ( 7.411 5.590 -8.300) 12.452 9.608 ( -2.332 0.537 1.005) 2.595 10.190 ( -3.308 -3.078 -18.424) 18.970 11.559 ( -1.928 -2.076 15.908) 16.159 12.151 ( 16.756 -16.345 0.483) 23.413 14.581 ( -5.656 0.152 2.889) 6.353 14.729 ( -9.885 2.145 2.596) 10.443 15.676 ( -7.244 4.534 7.795) 11.567 16.328 ( -0.167 14.336 -16.322) 21.725 ======================= Grid point 426 (215/282) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -2.997 2.962 9.700) 10.575 1.321 ( 3.122 3.174 0.944) 4.551 1.596 ( 3.567 -2.101 -3.471) 5.402 1.628 ( -1.917 -1.439 -2.684) 3.599 1.949 ( -0.876 1.283 -1.120) 1.915 1.981 ( -1.904 4.364 -0.512) 4.789 2.659 ( 5.238 -2.293 -1.460) 5.901 2.738 ( -2.476 1.262 -6.292) 6.878 2.905 ( 0.101 -1.006 7.357) 7.426 3.071 ( -2.354 -1.537 -0.786) 2.919 3.851 ( 0.180 0.957 8.464) 8.520 4.170 ( 2.285 0.437 -5.571) 6.038 4.839 ( -6.054 1.429 7.598) 9.820 5.100 ( 2.997 1.197 -2.480) 4.070 6.987 ( -8.356 5.440 11.892) 15.519 7.380 ( 8.131 4.058 -9.220) 12.946 9.604 ( -1.579 0.300 5.255) 5.496 10.037 ( -3.869 -2.779 -15.551) 16.264 11.706 ( -3.229 -2.906 19.110) 19.598 12.467 ( 11.198 -14.232 -13.725) 22.723 14.513 ( -9.616 1.644 5.850) 11.375 14.583 ( -7.561 4.336 1.297) 8.811 15.552 ( -14.647 5.902 10.228) 18.814 16.118 ( 12.659 10.334 -14.347) 21.746 ======================= Grid point 429 (216/282) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.226 0.000 3.879) 4.069 1.290 ( 0.124 0.000 1.799) 1.803 1.563 ( -1.974 -0.000 0.944) 2.188 1.633 ( 1.345 0.000 -6.830) 6.961 2.008 ( 1.062 0.000 -0.769) 1.312 2.122 ( 3.877 0.000 3.205) 5.030 2.516 ( -1.021 -0.000 0.178) 1.036 2.725 ( -0.710 -0.000 3.046) 3.128 2.963 ( -1.836 -0.000 -2.622) 3.201 3.246 ( 4.792 0.000 3.487) 5.927 3.980 ( -4.536 -0.000 3.768) 5.897 4.016 ( 5.851 0.000 -11.398) 12.812 5.041 ( 2.732 0.000 6.554) 7.101 5.213 ( 3.534 0.000 -4.527) 5.743 6.938 ( -4.415 -0.000 12.265) 13.035 7.458 ( 10.591 0.000 -11.437) 15.588 9.643 ( -7.531 -0.000 9.387) 12.034 10.046 ( 3.356 0.000 13.723) 14.128 11.633 ( -14.324 -0.000 -0.025) 14.324 11.721 ( -8.007 -0.000 -14.606) 16.657 14.505 ( -8.654 -0.000 14.436) 16.831 14.769 ( 2.800 0.000 10.873) 11.228 15.490 ( 7.253 0.000 1.932) 7.506 16.685 ( 16.231 0.000 -1.304) 16.283 ======================= Grid point 430 (217/282) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 2.381 3.910 3.306) 5.647 1.327 ( -1.041 -0.515 6.348) 6.453 1.533 ( 0.265 1.849 -3.133) 3.648 1.596 ( 0.174 -1.524 -4.426) 4.684 2.020 ( 0.520 -2.473 -1.969) 3.204 2.187 ( 2.192 0.384 2.950) 3.695 2.514 ( -0.544 -0.196 2.153) 2.229 2.728 ( -4.603 -1.145 1.714) 5.044 2.929 ( 0.762 1.053 -0.917) 1.591 3.327 ( 5.013 0.640 1.533) 5.281 3.935 ( -4.250 1.567 2.091) 4.989 4.015 ( 6.016 -1.536 -9.726) 11.539 5.103 ( 0.421 1.651 5.151) 5.426 5.218 ( 1.643 -1.446 -3.998) 4.558 7.013 ( -1.959 -1.018 13.214) 13.397 7.500 ( 10.715 0.094 -10.570) 15.052 9.655 ( -5.468 -0.062 13.068) 14.166 10.182 ( 1.714 -0.196 10.143) 10.288 11.461 ( -10.572 0.035 -2.197) 10.798 11.523 ( -6.672 -0.184 -11.460) 13.262 14.521 ( -8.805 -0.360 15.060) 17.449 14.863 ( 1.387 3.275 10.253) 10.853 15.616 ( 7.703 -2.567 1.100) 8.194 16.855 ( 12.383 0.229 -1.125) 12.436 ======================= Grid point 431 (218/282) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 2.045 7.327 2.006) 7.867 1.351 ( -4.599 2.464 10.058) 11.331 1.518 ( 5.337 -0.874 -5.682) 7.844 1.599 ( -0.379 -2.314 -0.892) 2.509 2.048 ( 1.439 -3.924 -3.100) 5.204 2.204 ( -0.099 2.036 1.397) 2.471 2.555 ( 0.430 -2.106 4.508) 4.994 2.656 ( -7.973 -0.714 -1.594) 8.162 2.946 ( 3.081 1.450 1.364) 3.668 3.363 ( 2.423 1.115 -2.509) 3.661 3.882 ( -3.944 2.454 3.675) 5.923 4.038 ( 6.668 -1.601 -7.917) 10.474 5.101 ( -2.176 2.513 3.643) 4.932 5.218 ( -0.629 -1.664 -2.521) 3.086 7.118 ( -0.982 -0.047 13.999) 14.033 7.543 ( 10.488 1.258 -9.104) 13.945 9.715 ( -2.358 -0.279 10.843) 11.100 10.251 ( -0.988 -1.725 2.964) 3.569 11.356 ( -5.472 -0.372 -0.151) 5.486 11.378 ( -5.937 -1.225 -4.318) 7.443 14.544 ( -7.721 -0.169 14.425) 16.362 14.903 ( 0.251 4.984 9.176) 10.445 15.739 ( 5.981 -1.725 1.079) 6.318 16.956 ( 8.185 1.379 -3.618) 9.054 ======================= Grid point 432 (219/282) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.125 7.319 2.643) 7.863 1.347 ( -3.768 3.464 11.138) 12.257 1.561 ( 5.314 -0.606 -4.195) 6.797 1.618 ( -0.096 -2.612 -0.936) 2.776 2.096 ( 2.752 -4.104 -3.555) 6.087 2.169 ( -1.323 2.739 -0.058) 3.042 2.538 ( -7.574 -0.074 -1.986) 7.830 2.644 ( 0.575 -3.292 5.441) 6.385 2.976 ( 3.085 1.727 0.757) 3.616 3.307 ( -2.575 1.488 -7.063) 7.664 3.849 ( -2.159 3.543 6.137) 7.408 4.084 ( 6.378 -1.479 -5.269) 8.404 5.060 ( -4.520 2.668 4.265) 6.763 5.198 ( -1.552 -0.960 -2.301) 2.937 7.206 ( -1.990 2.352 14.354) 14.680 7.576 ( 9.983 3.134 -7.483) 12.864 9.744 ( -1.613 1.213 1.671) 2.620 10.265 ( -1.672 -5.264 -5.348) 7.688 11.318 ( -3.008 -3.174 3.652) 5.698 11.367 ( -2.961 -1.012 7.760) 8.367 14.572 ( -5.965 0.177 12.634) 13.973 14.911 ( -0.902 5.125 8.111) 9.637 15.816 ( 3.706 0.962 1.917) 4.282 16.958 ( 4.299 3.445 -7.971) 9.690 ======================= Grid point 433 (220/282) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.988 5.151 5.767) 7.795 1.364 ( -1.788 3.261 10.696) 11.324 1.578 ( 3.176 0.562 -4.307) 5.381 1.636 ( -0.211 -2.261 -1.772) 2.881 2.105 ( -2.106 2.568 -0.241) 3.330 2.147 ( 2.381 -2.199 -4.477) 5.528 2.457 ( -2.982 -1.032 -1.141) 3.355 2.732 ( -0.192 -2.831 5.970) 6.610 2.986 ( 2.322 2.140 -1.789) 3.629 3.167 ( -6.022 0.979 -8.108) 10.147 3.845 ( -0.766 3.940 7.599) 8.594 4.136 ( 5.255 -1.012 -3.552) 6.422 5.001 ( -6.427 2.647 5.738) 9.013 5.169 ( -0.630 0.064 -2.517) 2.596 7.244 ( -3.880 5.146 14.009) 15.420 7.588 ( 8.940 5.193 -6.392) 12.155 9.683 ( -2.171 1.461 -4.501) 5.207 10.224 ( -2.905 -5.754 -14.455) 15.827 11.427 ( -2.496 -0.580 12.324) 12.587 11.458 ( 2.883 -9.252 11.976) 15.406 14.598 ( -4.480 0.893 10.536) 11.484 14.891 ( -2.770 4.906 6.602) 8.679 15.842 ( 1.371 3.992 3.889) 5.739 16.845 ( 0.962 6.763 -12.738) 14.454 ======================= Grid point 434 (221/282) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.234 3.379 8.811) 9.440 1.393 ( -0.772 3.030 8.171) 8.749 1.564 ( 2.769 0.609 -5.590) 6.268 1.634 ( -1.095 -1.414 -2.066) 2.732 2.040 ( -2.650 2.369 -0.678) 3.619 2.132 ( -0.019 1.126 -3.687) 3.855 2.486 ( 3.772 -2.943 0.307) 4.794 2.805 ( -0.405 -2.072 5.849) 6.218 2.915 ( -2.975 2.858 -8.078) 9.071 3.059 ( -2.615 -0.927 -2.861) 3.985 3.860 ( -0.452 3.403 8.292) 8.975 4.173 ( 4.046 -0.296 -3.569) 5.403 4.937 ( -7.224 2.456 6.844) 10.250 5.144 ( 1.261 1.113 -2.487) 3.003 7.223 ( -5.517 7.336 13.134) 16.024 7.565 ( 7.432 6.740 -6.541) 11.977 9.614 ( -1.436 0.020 -3.417) 3.707 10.099 ( -4.560 -4.567 -17.566) 18.715 11.515 ( -3.068 -1.416 14.634) 15.019 11.767 ( 7.317 -14.644 9.434) 18.894 14.609 ( -4.201 2.365 9.346) 10.516 14.827 ( -5.250 5.338 4.222) 8.595 15.822 ( -1.982 6.727 7.278) 10.107 16.623 ( 0.418 10.431 -16.473) 19.503 ======================= Grid point 435 (222/282) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.389 3.152 9.847) 10.612 1.404 ( 0.110 3.191 4.617) 5.614 1.556 ( 3.622 -1.011 -5.682) 6.814 1.602 ( -1.988 -0.350 -3.498) 4.039 1.983 ( -1.927 1.673 0.248) 2.564 2.081 ( 0.495 3.487 -1.951) 4.026 2.595 ( 6.219 -2.921 0.987) 6.941 2.767 ( -4.734 1.093 -8.239) 9.565 2.872 ( -0.121 -1.785 5.532) 5.814 3.037 ( -0.693 -1.032 -1.813) 2.198 3.888 ( -0.834 2.224 8.304) 8.637 4.182 ( 3.264 0.526 -4.911) 5.920 4.882 ( -6.516 2.097 7.301) 10.008 5.136 ( 3.401 1.693 -2.317) 4.450 7.157 ( -6.871 8.374 12.084) 16.228 7.511 ( 6.648 6.760 -7.645) 12.180 9.601 ( -0.165 -0.841 1.438) 1.674 9.951 ( -5.081 -4.250 -15.197) 16.578 11.629 ( -3.875 -3.159 16.333) 17.081 12.081 ( 5.922 -16.468 -1.154) 17.538 14.587 ( -6.133 4.365 10.170) 12.653 14.711 ( -5.551 6.184 1.617) 8.466 15.743 ( -7.806 9.423 10.496) 16.121 16.385 ( 6.726 11.122 -17.122) 21.497 ======================= Grid point 436 (223/282) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -4.604 3.055 7.521) 9.332 1.395 ( 1.527 3.619 -0.427) 3.951 1.555 ( -2.368 -1.650 -2.150) 3.599 1.585 ( 3.404 -2.275 -3.268) 5.238 1.961 ( 0.448 1.418 1.039) 1.814 2.039 ( 2.109 4.768 -0.068) 5.214 2.645 ( -3.846 -0.437 -6.211) 7.319 2.701 ( 5.227 -0.830 -0.538) 5.319 2.937 ( -0.634 -2.391 5.436) 5.972 3.036 ( 0.718 -1.174 -1.136) 1.784 3.922 ( -1.449 0.799 7.454) 7.635 4.161 ( 2.951 1.359 -6.674) 7.423 4.855 ( -4.161 1.376 7.326) 8.537 5.150 ( 5.090 1.741 -2.387) 5.885 7.064 ( -7.886 7.863 11.226) 15.812 7.455 ( 7.279 5.132 -9.003) 12.664 9.649 ( 0.963 -0.514 6.786) 6.874 9.830 ( -5.362 -4.114 -9.976) 12.050 11.753 ( -6.246 -4.530 16.452) 18.171 12.239 ( -0.829 -13.194 -12.201) 17.990 14.517 ( -8.400 5.115 9.815) 13.895 14.611 ( -2.056 5.681 3.848) 7.163 15.588 ( -9.380 10.779 9.225) 17.008 16.285 ( 14.615 7.643 -12.360) 20.610 ======================= Grid point 440 (224/282) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 2.516 0.000 3.211) 4.079 1.373 ( -1.345 -0.000 8.561) 8.666 1.533 ( 3.240 0.000 -8.413) 9.015 1.539 ( 0.277 0.000 -1.342) 1.370 1.995 ( 0.604 0.000 -1.829) 1.926 2.232 ( 0.429 0.000 2.727) 2.760 2.527 ( -0.769 -0.000 4.105) 4.176 2.645 ( -7.971 -0.000 -0.664) 7.999 2.965 ( 3.503 0.000 0.493) 3.538 3.377 ( 2.478 0.000 -2.615) 3.603 3.917 ( -4.331 -0.000 4.904) 6.542 4.015 ( 7.924 0.000 -9.195) 12.139 5.141 ( -3.246 -0.000 5.256) 6.178 5.188 ( 0.909 0.000 -4.300) 4.395 7.117 ( 0.397 0.000 14.630) 14.636 7.558 ( 11.442 0.000 -9.018) 14.569 9.710 ( -3.542 -0.000 13.244) 13.710 10.231 ( -1.372 -0.000 0.569) 1.486 11.353 ( -5.932 -0.000 2.240) 6.341 11.362 ( -6.112 -0.000 -7.191) 9.438 14.546 ( -8.021 -0.000 16.380) 18.238 14.972 ( -0.072 -0.000 8.822) 8.822 15.712 ( 8.040 0.000 1.350) 8.153 16.973 ( 8.785 0.000 -3.192) 9.346 ======================= Grid point 441 (225/282) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.281 4.851 -0.283) 4.867 1.410 ( -4.007 1.626 10.446) 11.306 1.545 ( 5.687 -0.801 -3.177) 6.564 1.557 ( 3.330 -1.987 -3.849) 5.464 2.008 ( 2.134 -2.427 -2.429) 4.043 2.231 ( -1.674 1.866 1.541) 2.943 2.534 ( -8.050 -0.162 -1.349) 8.164 2.575 ( -0.158 -1.978 5.998) 6.318 3.009 ( 3.752 0.793 -0.263) 3.844 3.333 ( -2.247 0.608 -7.558) 7.908 3.917 ( -1.891 1.825 6.887) 7.371 4.053 ( 7.462 -0.942 -6.252) 9.780 5.113 ( -5.262 1.653 4.467) 7.097 5.173 ( -0.082 -1.047 -2.666) 2.865 7.245 ( 0.236 0.867 15.468) 15.495 7.628 ( 11.407 1.160 -7.062) 13.466 9.764 ( -1.967 0.480 6.541) 6.847 10.170 ( -3.269 -2.256 -9.225) 10.044 11.268 ( -4.844 -1.032 0.813) 5.019 11.353 ( -2.689 -0.266 9.185) 9.574 14.588 ( -6.462 0.667 16.134) 17.393 15.012 ( -1.335 2.623 7.107) 7.692 15.823 ( 6.599 -0.091 2.564) 7.080 17.013 ( 5.387 1.168 -6.904) 8.834 ======================= Grid point 442 (226/282) ======================= q-point: ( 0.50 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -0.049 4.787 0.842) 4.860 1.425 ( -3.567 1.612 9.394) 10.177 1.572 ( 1.687 -1.573 -2.973) 3.763 1.611 ( 5.650 0.772 -2.413) 6.192 2.061 ( 3.930 -3.665 -3.224) 6.267 2.181 ( -2.854 2.856 0.392) 4.057 2.442 ( -5.008 -0.367 -0.592) 5.056 2.660 ( -0.106 -2.905 6.977) 7.559 3.030 ( 3.055 1.397 -1.920) 3.869 3.193 ( -6.073 1.007 -10.160) 11.880 3.933 ( -0.635 3.180 7.427) 8.104 4.111 ( 6.231 -1.064 -3.665) 7.307 5.057 ( -6.953 1.908 5.482) 9.058 5.164 ( 0.799 -0.403 -2.356) 2.521 7.344 ( -1.732 3.104 15.593) 15.993 7.688 ( 10.418 3.095 -5.398) 12.134 9.727 ( -2.639 2.216 -4.194) 5.428 10.081 ( -3.062 -5.686 -14.076) 15.487 11.303 ( -1.335 -4.015 10.607) 11.419 11.420 ( -2.474 -0.102 12.957) 13.192 14.635 ( -4.484 1.689 14.670) 15.433 15.002 ( -2.511 3.795 5.532) 7.163 15.911 ( 4.478 1.877 4.480) 6.606 16.962 ( 2.544 3.215 -11.164) 11.893 ======================= Grid point 443 (227/282) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.262 2.985 4.440) 5.357 1.438 ( -2.909 0.720 6.357) 7.028 1.580 ( 1.429 -0.158 -2.376) 2.777 1.626 ( 2.833 1.714 -2.247) 4.001 2.103 ( -2.160 1.943 -0.744) 2.999 2.120 ( 2.267 -1.113 -3.788) 4.553 2.432 ( 1.483 -1.565 1.636) 2.706 2.747 ( -0.522 -2.652 6.830) 7.346 2.977 ( -4.851 2.250 -9.645) 11.028 3.052 ( -0.770 0.116 -4.148) 4.220 3.946 ( -0.812 3.579 7.501) 8.351 4.163 ( 4.891 -0.522 -2.933) 5.726 4.991 ( -7.683 1.982 6.464) 10.234 5.165 ( 2.444 0.576 -2.188) 3.330 7.383 ( -3.923 5.774 14.730) 16.301 7.714 ( 8.285 5.432 -4.889) 11.048 9.621 ( -2.337 0.861 -6.878) 7.315 9.977 ( -3.884 -5.548 -16.853) 18.163 11.482 ( -0.842 -4.573 13.844) 14.604 11.509 ( -0.142 -3.993 13.913) 14.475 14.677 ( -2.975 2.972 13.054) 13.715 14.951 ( -4.006 4.609 3.728) 7.155 15.961 ( 1.948 4.751 7.278) 8.907 16.817 ( 0.732 5.999 -14.949) 16.124 ======================= Grid point 444 (228/282) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.526 1.652 7.584) 8.162 1.439 ( -2.767 -0.296 3.491) 4.464 1.568 ( 2.613 1.859 -3.825) 4.991 1.614 ( 0.428 1.305 -1.571) 2.086 2.031 ( -2.301 2.385 -0.686) 3.385 2.130 ( 2.787 0.661 -3.102) 4.222 2.529 ( 5.895 -2.474 3.235) 7.165 2.790 ( -6.980 0.873 -9.871) 12.121 2.823 ( -0.430 -2.246 5.770) 6.207 3.028 ( 0.908 0.216 -3.301) 3.430 3.953 ( -1.682 3.046 7.286) 8.074 4.192 ( 3.979 0.293 -3.812) 5.518 4.931 ( -7.149 1.892 6.969) 10.161 5.175 ( 3.999 1.479 -2.073) 4.741 7.356 ( -5.714 7.994 13.009) 16.303 7.681 ( 5.879 7.194 -5.886) 10.998 9.565 ( -0.738 -1.835 -2.414) 3.121 9.847 ( -4.366 -4.408 -15.329) 16.537 11.570 ( -4.478 -1.727 13.727) 14.542 11.750 ( 3.292 -11.017 8.370) 14.222 14.700 ( -3.426 4.737 12.260) 13.582 14.855 ( -4.880 5.663 1.740) 7.675 15.960 ( -2.316 8.297 10.461) 13.552 16.613 ( 2.577 7.871 -17.052) 18.957 ======================= Grid point 445 (229/282) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.799 1.555 7.313) 10.106 1.444 ( -2.611 -0.542 4.208) 4.982 1.550 ( 3.798 1.309 -6.318) 7.487 1.573 ( -0.451 1.842 -1.871) 2.664 1.994 ( 0.081 1.405 0.674) 1.560 2.129 ( 3.292 2.623 -1.457) 4.455 2.629 ( -4.793 -0.742 -6.397) 8.028 2.671 ( 6.014 -1.560 1.979) 6.521 2.886 ( -0.672 -2.017 4.507) 4.984 3.014 ( 1.245 -0.488 -3.053) 3.333 3.954 ( -2.637 1.839 6.438) 7.196 4.192 ( 3.571 1.161 -5.449) 6.618 4.890 ( -5.381 1.509 7.092) 9.029 5.194 ( 5.232 1.934 -2.187) 5.991 7.272 ( -7.312 9.170 10.954) 16.048 7.604 ( 4.854 7.128 -7.378) 11.349 9.606 ( 0.677 -3.484 4.265) 5.549 9.733 ( -4.002 -3.485 -10.369) 11.649 11.651 ( -5.631 -3.723 12.748) 14.425 11.942 ( 0.478 -11.055 -0.960) 11.107 14.658 ( -7.415 6.454 8.638) 13.087 14.757 ( -2.405 6.218 4.499) 8.043 15.865 ( -7.403 11.858 10.058) 17.221 16.462 ( 9.267 6.776 -13.937) 18.056 ======================= Grid point 446 (230/282) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -7.889 0.700 4.446) 9.082 1.425 ( -2.745 2.528 0.241) 3.739 1.514 ( -0.694 -0.369 -0.408) 0.886 1.583 ( 3.325 -0.985 -2.045) 4.026 2.007 ( 2.595 1.058 1.567) 3.210 2.125 ( 3.354 3.715 -0.522) 5.032 2.536 ( -3.164 -1.430 -5.227) 6.275 2.770 ( 4.620 1.091 1.328) 4.929 2.927 ( -1.580 -2.489 2.879) 4.121 3.036 ( 3.001 -1.778 -0.570) 3.534 3.952 ( -3.014 0.362 4.645) 5.549 4.164 ( 3.262 1.930 -6.861) 7.838 4.886 ( -2.446 0.615 6.938) 7.382 5.220 ( 5.672 2.019 -2.560) 6.542 7.151 ( -8.301 8.722 9.723) 15.476 7.525 ( 5.633 5.358 -8.898) 11.816 9.657 ( -5.236 -4.011 -3.262) 7.359 9.728 ( 3.003 -1.898 9.524) 10.165 11.717 ( -8.044 -4.913 10.120) 13.830 11.991 ( -3.990 -7.928 -9.108) 12.717 14.557 ( -5.500 4.885 5.852) 9.400 14.702 ( -4.441 6.440 9.092) 11.994 15.702 ( -5.374 11.687 6.386) 14.362 16.452 ( 13.601 4.863 -7.406) 16.232 ======================= Grid point 451 (231/282) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -1.296 -0.000 -1.984) 2.370 1.437 ( -5.193 -0.000 7.973) 9.515 1.552 ( 4.050 0.000 -3.424) 5.304 1.626 ( 7.153 0.000 -0.536) 7.173 2.010 ( 3.740 0.000 -2.198) 4.338 2.220 ( -3.362 -0.000 0.474) 3.396 2.438 ( -5.409 -0.000 -0.294) 5.417 2.620 ( 0.013 0.000 7.630) 7.630 3.047 ( 3.351 0.000 -2.352) 4.094 3.206 ( -6.050 -0.000 -10.664) 12.260 3.975 ( -0.958 -0.000 7.774) 7.832 4.095 ( 7.027 0.000 -4.153) 8.163 5.082 ( -7.875 -0.000 5.790) 9.774 5.157 ( 1.979 0.000 -2.626) 3.288 7.382 ( -0.915 -0.000 16.290) 16.316 7.726 ( 11.019 0.000 -5.097) 12.140 9.765 ( -2.973 -0.000 -1.368) 3.273 10.000 ( -2.887 -0.000 -16.614) 16.863 11.258 ( -2.339 -0.000 9.729) 10.006 11.419 ( -2.384 -0.000 13.205) 13.418 14.657 ( -4.774 -0.000 16.006) 16.703 15.049 ( -2.885 -0.000 4.903) 5.689 15.933 ( 5.757 0.000 4.912) 7.568 16.999 ( 2.914 0.000 -10.565) 10.960 ======================= Grid point 452 (232/282) ======================= q-point: ( 0.50 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.351 1.455 0.395) 2.025 1.433 ( -3.505 -0.601 3.390) 4.913 1.575 ( 2.378 -0.004 -0.724) 2.486 1.681 ( 3.770 1.814 -0.941) 4.288 2.060 ( 5.081 -1.762 -2.310) 5.854 2.163 ( -3.970 1.420 -0.611) 4.261 2.411 ( 0.038 -0.348 2.211) 2.239 2.694 ( -0.241 -1.443 7.925) 8.059 3.016 ( -7.487 0.920 -11.450) 13.711 3.056 ( 1.883 0.129 -4.318) 4.712 4.013 ( -1.278 1.698 6.925) 7.244 4.151 ( 5.704 -0.403 -2.523) 6.250 5.025 ( -8.304 0.788 6.317) 10.464 5.172 ( 3.398 0.107 -1.949) 3.919 7.481 ( -3.137 2.248 16.219) 16.672 7.804 ( 9.148 2.025 -4.001) 10.188 9.660 ( -4.418 1.996 -7.814) 9.195 9.855 ( -1.677 -3.973 -17.421) 17.947 11.369 ( 0.748 -2.456 14.990) 15.208 11.495 ( -3.540 -0.020 13.450) 13.908 14.730 ( -2.852 1.271 14.590) 14.920 15.028 ( -4.066 1.736 3.171) 5.441 16.038 ( 4.142 1.642 7.541) 8.759 16.910 ( 0.836 1.915 -13.849) 14.006 ======================= Grid point 453 (233/282) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -2.547 0.831 4.161) 4.949 1.418 ( -2.568 -1.023 -0.189) 2.771 1.598 ( 1.565 0.538 0.774) 1.827 1.669 ( 1.027 2.742 -1.551) 3.314 2.085 ( -2.906 1.831 -1.364) 3.695 2.124 ( 4.700 -0.811 -2.574) 5.420 2.485 ( 5.008 -1.189 5.000) 7.176 2.771 ( -0.880 -1.856 7.081) 7.373 2.809 ( -8.009 0.588 -11.190) 13.773 3.038 ( 1.677 0.442 -4.827) 5.129 4.020 ( -2.294 2.330 5.981) 6.816 4.196 ( 4.413 0.045 -2.590) 5.117 4.967 ( -7.846 1.092 6.739) 10.400 5.202 ( 4.713 0.807 -1.808) 5.111 7.514 ( -5.292 5.018 14.618) 16.336 7.826 ( 6.023 4.606 -4.513) 8.823 9.534 ( -3.761 -0.483 -5.534) 6.709 9.747 ( -1.169 -3.882 -15.714) 16.228 11.539 ( -2.612 -1.689 12.821) 13.193 11.569 ( 0.018 -3.853 12.206) 12.799 14.794 ( -1.689 2.929 12.932) 13.367 14.963 ( -4.930 3.211 1.766) 6.143 16.115 ( 1.755 4.574 10.339) 11.441 16.752 ( -0.039 3.875 -16.165) 16.623 ======================= Grid point 454 (234/282) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -6.392 0.750 6.507) 9.152 1.401 ( -1.917 -1.971 -0.374) 2.774 1.602 ( 0.721 1.851 -0.906) 2.183 1.630 ( 0.367 2.735 -1.546) 3.163 2.028 ( -0.463 1.445 -1.331) 2.018 2.164 ( 4.170 0.540 -1.697) 4.534 2.613 ( 0.098 -0.688 0.516) 0.866 2.640 ( 0.104 -0.859 -2.951) 3.075 2.838 ( -0.693 -1.963 5.382) 5.771 3.012 ( 1.432 0.129 -4.988) 5.191 4.003 ( -3.455 2.077 4.940) 6.376 4.214 ( 3.589 0.727 -3.914) 5.360 4.921 ( -6.540 1.036 6.928) 9.583 5.237 ( 5.555 1.547 -2.063) 6.124 7.472 ( -7.259 7.333 11.572) 15.504 7.771 ( 3.205 6.454 -6.209) 9.512 9.504 ( -3.218 -4.310 1.552) 5.598 9.667 ( 0.788 -2.390 -10.742) 11.033 11.585 ( -5.488 -1.819 9.688) 11.282 11.736 ( 1.084 -6.368 6.296) 9.021 14.805 ( -5.211 5.601 8.002) 11.071 14.884 ( -2.261 4.198 4.597) 6.623 16.119 ( -3.549 9.222 10.773) 14.619 16.587 ( 3.688 3.618 -14.848) 15.721 ======================= Grid point 455 (235/282) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -9.761 1.282 5.059) 11.068 1.415 ( -3.353 -2.651 3.487) 5.516 1.546 ( -1.737 2.380 -3.205) 4.353 1.605 ( 2.765 2.300 -1.828) 4.035 2.025 ( 2.395 0.448 -0.018) 2.437 2.185 ( 3.028 1.442 -1.037) 3.511 2.515 ( -2.616 -0.228 -5.273) 5.891 2.768 ( 5.010 -1.119 5.620) 7.612 2.884 ( -1.272 -1.461 2.824) 3.424 3.002 ( 2.840 -0.900 -3.303) 4.448 3.971 ( -4.109 1.161 3.571) 5.566 4.203 ( 3.065 1.343 -5.678) 6.591 4.900 ( -4.375 0.530 6.893) 8.181 5.268 ( 5.733 1.936 -2.505) 6.549 7.359 ( -8.929 8.393 8.642) 14.995 7.667 ( 2.274 6.272 -7.806) 10.269 9.546 ( -4.095 -5.010 2.803) 7.052 9.679 ( 4.078 -2.286 2.052) 5.105 11.614 ( -6.287 -3.563 6.853) 9.959 11.826 ( -1.605 -5.737 -1.687) 6.191 14.692 ( -6.271 6.170 3.098) 9.327 14.862 ( -2.753 6.504 9.118) 11.533 15.981 ( -7.267 11.667 4.949) 14.609 16.546 ( 9.147 2.610 -6.569) 11.560 ======================= Grid point 456 (236/282) ======================= q-point: (-0.10 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -9.161 -0.086 3.620) 9.851 1.391 ( -6.930 0.328 2.319) 7.315 1.507 ( -0.328 -0.435 0.651) 0.849 1.608 ( 2.928 0.902 -1.793) 3.550 2.064 ( 3.624 0.041 0.488) 3.657 2.187 ( 2.245 2.152 -1.354) 3.392 2.476 ( 0.516 -0.060 -1.770) 1.845 2.844 ( 1.552 1.171 1.985) 2.778 2.887 ( -2.439 -1.929 0.175) 3.115 3.067 ( 5.485 -2.010 1.605) 6.058 3.937 ( -3.924 -0.086 1.909) 4.364 4.166 ( 2.633 1.805 -7.185) 7.862 4.918 ( -1.686 -0.521 6.547) 6.781 5.289 ( 4.893 2.045 -2.904) 6.046 7.214 ( -9.402 7.733 7.902) 14.513 7.565 ( 3.362 4.368 -9.363) 10.865 9.568 ( -2.928 -2.415 3.962) 5.487 9.834 ( 4.151 -3.193 12.417) 13.476 11.617 ( -7.713 -4.123 3.316) 9.353 11.802 ( -4.358 -3.658 -7.908) 9.742 14.593 ( -3.607 4.082 3.832) 6.660 14.797 ( -6.527 7.909 10.088) 14.385 15.808 ( -3.975 9.172 2.140) 10.223 16.611 ( 11.027 2.471 -1.748) 11.435 ======================= Grid point 462 (237/282) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -2.475 -0.000 2.514) 3.528 1.404 ( -1.961 -0.000 -1.109) 2.253 1.604 ( 1.360 0.000 1.578) 2.083 1.707 ( 0.757 0.000 -1.947) 2.089 2.106 ( 5.611 0.000 -1.141) 5.726 2.112 ( -3.637 -0.000 -1.624) 3.983 2.472 ( 4.699 0.000 5.398) 7.156 2.747 ( -0.747 -0.000 7.757) 7.793 2.816 ( -8.546 -0.000 -11.690) 14.481 3.044 ( 1.898 0.000 -5.513) 5.830 4.050 ( -2.618 -0.000 5.377) 5.980 4.196 ( 4.645 0.000 -2.014) 5.063 4.980 ( -8.173 -0.000 6.656) 10.540 5.212 ( 5.066 0.000 -1.675) 5.336 7.577 ( -5.282 -0.000 15.560) 16.432 7.882 ( 6.266 0.000 -3.982) 7.424 9.535 ( -6.565 -0.000 -6.923) 9.541 9.691 ( 1.732 0.000 -15.894) 15.988 11.499 ( 1.850 0.000 14.573) 14.690 11.546 ( -4.859 -0.000 11.154) 12.166 14.830 ( -1.068 -0.000 13.044) 13.088 15.001 ( -5.016 -0.000 1.770) 5.319 16.169 ( 3.320 0.000 10.274) 10.797 16.797 ( -0.947 -0.000 -15.754) 15.782 ======================= Grid point 463 (238/282) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.873 0.351 5.629) 7.453 1.369 ( -1.425 -0.700 -2.845) 3.258 1.626 ( -0.143 0.417 1.463) 1.528 1.683 ( 0.337 1.352 -2.321) 2.707 2.057 ( -1.319 0.793 -2.427) 2.874 2.165 ( 4.089 -0.226 -0.308) 4.106 2.600 ( 5.524 -0.315 7.194) 9.075 2.630 ( -5.962 -0.155 -8.968) 10.770 2.801 ( -1.010 -0.928 6.382) 6.528 3.015 ( 1.681 0.110 -6.180) 6.406 4.041 ( -3.911 0.920 3.793) 5.526 4.226 ( 3.428 0.259 -2.738) 4.395 4.937 ( -7.268 0.351 6.840) 9.987 5.263 ( 5.945 0.603 -1.988) 6.297 7.598 ( -7.608 2.925 12.594) 15.002 7.883 ( 2.506 2.599 -5.536) 6.609 9.431 ( -5.451 -1.642 -0.478) 5.713 9.621 ( 3.496 -1.223 -11.113) 11.714 11.560 ( -5.542 -0.404 7.798) 9.575 11.637 ( 1.177 -2.092 9.862) 10.150 14.907 ( -1.665 2.773 9.017) 9.579 14.944 ( -3.695 0.845 3.126) 4.913 16.278 ( 1.591 3.738 12.112) 12.775 16.636 ( -1.491 0.792 -16.304) 16.391 ======================= Grid point 464 (239/282) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -8.611 1.710 6.440) 10.888 1.352 ( -1.586 -2.197 -0.314) 2.728 1.594 ( -3.846 1.440 -0.924) 4.209 1.658 ( 1.711 1.763 -2.197) 3.296 2.033 ( 1.952 0.301 -2.356) 3.074 2.202 ( 1.857 0.154 0.391) 1.904 2.517 ( -1.420 0.134 -5.319) 5.507 2.738 ( 3.508 -1.068 7.383) 8.243 2.848 ( -0.978 -1.403 4.329) 4.654 2.993 ( 3.207 -0.009 -4.908) 5.863 3.999 ( -4.917 1.009 2.392) 5.561 4.228 ( 2.566 0.725 -4.397) 5.142 4.909 ( -5.741 0.244 6.917) 8.993 5.307 ( 5.926 1.298 -2.594) 6.598 7.526 ( -9.865 5.306 8.349) 13.971 7.798 ( -0.239 4.306 -7.542) 8.688 9.441 ( -2.896 -3.420 7.296) 8.563 9.625 ( 4.509 -1.976 -3.596) 6.096 11.552 ( -5.626 -1.651 4.301) 7.272 11.725 ( -0.756 -2.803 3.077) 4.231 14.827 ( -5.899 4.763 1.905) 7.817 14.982 ( 0.280 3.278 8.391) 9.013 16.243 ( -5.513 10.318 2.642) 11.993 16.558 ( 4.609 -1.861 -5.169) 7.171 ======================= Grid point 465 (240/282) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -10.471 2.740 5.396) 12.094 1.361 ( -5.480 -2.450 3.653) 7.027 1.508 ( -4.196 0.498 -1.258) 4.408 1.647 ( 3.018 1.854 -2.477) 4.322 2.055 ( 3.895 -0.602 -2.050) 4.443 2.218 ( 1.003 0.637 0.479) 1.281 2.491 ( 2.096 0.999 -1.106) 2.572 2.809 ( -1.805 -2.212 2.101) 3.544 2.877 ( -0.431 -0.686 1.673) 1.858 3.039 ( 6.374 -0.274 1.203) 6.492 3.941 ( -5.297 0.335 1.194) 5.440 4.201 ( 2.147 1.152 -6.294) 6.749 4.907 ( -3.795 -0.370 6.833) 7.824 5.334 ( 4.940 1.706 -3.116) 6.085 7.382 ( -11.190 6.116 5.985) 14.087 7.669 ( -0.758 4.054 -9.115) 10.004 9.522 ( -0.115 -1.302 7.807) 7.915 9.740 ( 4.644 -4.500 8.688) 10.831 11.533 ( -5.516 -2.830 1.283) 6.331 11.730 ( -3.035 -2.375 -3.511) 5.213 14.711 ( -5.067 5.467 2.312) 7.805 14.982 ( -1.753 6.705 7.348) 10.100 16.028 ( -6.988 9.584 -2.564) 12.135 16.642 ( 7.180 -0.173 1.660) 7.371 ======================= Grid point 466 (241/282) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -9.226 1.152 5.166) 10.636 1.305 ( -10.233 -1.139 4.316) 11.164 1.501 ( -0.243 -1.796 2.018) 2.713 1.645 ( 3.220 1.837 -2.296) 4.360 2.098 ( 3.892 -0.987 -2.204) 4.581 2.217 ( 0.818 1.388 -0.815) 1.806 2.517 ( 3.540 1.637 2.363) 4.560 2.800 ( -4.202 -2.859 -1.509) 5.302 2.882 ( -0.507 0.574 0.804) 1.110 3.151 ( 6.249 -0.853 3.861) 7.395 3.884 ( -5.219 -0.822 0.430) 5.301 4.154 ( 2.389 1.510 -7.713) 8.214 4.937 ( -2.053 -1.418 6.354) 6.826 5.335 ( 2.888 1.822 -3.309) 4.755 7.227 ( -10.717 5.217 6.762) 13.703 7.550 ( 1.152 2.169 -10.224) 10.515 9.593 ( 0.489 0.210 7.619) 7.638 9.963 ( 5.272 -4.035 15.654) 17.004 11.500 ( -5.622 -2.749 -0.983) 6.334 11.654 ( -4.609 -1.294 -7.776) 9.131 14.629 ( -2.749 3.666 3.351) 5.676 14.898 ( -5.622 9.641 7.423) 13.404 15.847 ( -4.276 5.679 -1.302) 7.227 16.746 ( 7.676 0.519 1.091) 7.771 ======================= Grid point 473 (242/282) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -7.749 -0.000 7.982) 11.125 1.324 ( -0.786 -0.000 -3.306) 3.398 1.611 ( -4.472 -0.000 0.150) 4.474 1.679 ( 1.437 0.000 -2.692) 3.051 2.038 ( 1.635 0.000 -3.347) 3.725 2.202 ( 1.087 0.000 1.663) 1.987 2.518 ( -1.042 -0.000 -5.321) 5.422 2.725 ( 3.140 0.000 7.449) 8.084 2.829 ( -1.282 -0.000 5.040) 5.200 2.994 ( 3.498 0.000 -5.195) 6.263 4.012 ( -5.220 -0.000 1.866) 5.543 4.237 ( 2.305 0.000 -3.813) 4.455 4.912 ( -6.220 -0.000 6.925) 9.308 5.323 ( 6.057 0.000 -2.648) 6.610 7.592 ( -10.393 -0.000 8.405) 13.366 7.852 ( -1.196 -0.000 -7.554) 7.648 9.399 ( -2.426 -0.000 8.725) 9.056 9.599 ( 4.662 0.000 -5.523) 7.227 11.533 ( -5.487 -0.000 3.305) 6.406 11.692 ( -0.607 -0.000 4.750) 4.788 14.889 ( -5.489 -0.000 1.386) 5.661 15.017 ( 1.452 0.000 8.205) 8.332 16.442 ( 2.497 0.000 13.673) 13.899 16.463 ( -3.594 -0.000 -16.688) 17.070 ======================= Grid point 474 (243/282) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -10.407 2.303 8.503) 13.635 1.303 ( -1.993 -1.863 -0.411) 2.759 1.519 ( -8.098 0.302 -0.998) 8.165 1.680 ( 2.952 0.761 -2.707) 4.077 2.046 ( 4.205 -0.152 -3.770) 5.649 2.224 ( -0.513 -0.020 2.915) 2.960 2.508 ( 3.067 0.339 -0.794) 3.186 2.772 ( -2.027 -0.792 1.262) 2.516 2.854 ( -0.890 -0.785 2.948) 3.178 3.041 ( 6.452 0.178 1.509) 6.629 3.948 ( -6.114 0.201 0.452) 6.134 4.220 ( 1.644 0.419 -5.415) 5.674 4.901 ( -4.920 -0.145 7.017) 8.571 5.364 ( 4.986 0.716 -3.346) 6.047 7.486 ( -12.627 2.378 4.920) 13.758 7.740 ( -3.276 1.649 -9.362) 10.055 9.511 ( 2.558 0.206 15.131) 15.348 9.645 ( 4.003 -2.789 1.625) 5.142 11.488 ( -4.637 -0.962 0.005) 4.736 11.692 ( -2.685 -0.801 -1.076) 3.002 14.819 ( -5.256 2.873 2.078) 6.340 15.083 ( 1.563 1.875 5.324) 5.856 16.237 ( -4.922 6.578 -12.260) 14.758 16.603 ( 3.439 -2.428 9.706) 10.579 ======================= Grid point 475 (244/282) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -11.013 3.991 7.845) 14.098 1.273 ( -9.944 -1.545 4.018) 10.835 1.451 ( -1.999 -2.033 0.329) 2.870 1.687 ( 3.843 1.431 -2.865) 5.002 2.077 ( 5.029 -0.617 -4.112) 6.525 2.234 ( -1.676 0.128 2.587) 3.085 2.554 ( 4.151 1.227 2.675) 5.089 2.743 ( -3.681 -1.717 -2.058) 4.553 2.873 ( -0.262 -0.921 0.767) 1.227 3.145 ( 5.407 0.116 4.785) 7.221 3.870 ( -6.443 -0.376 -0.243) 6.458 4.182 ( 1.796 0.831 -6.799) 7.081 4.911 ( -3.766 -0.779 6.962) 7.954 5.372 ( 2.800 1.185 -3.728) 4.811 7.327 ( -13.161 3.081 4.662) 14.298 7.596 ( -2.718 1.537 -10.427) 10.884 9.619 ( 2.526 2.041 6.776) 7.514 9.849 ( 7.339 -5.182 16.807) 19.058 11.445 ( -3.643 -1.670 -1.551) 4.297 11.630 ( -4.036 -0.743 -5.611) 6.951 14.733 ( -4.464 4.430 2.844) 6.902 15.089 ( 0.144 5.337 2.991) 6.120 16.000 ( -5.548 7.011 -8.228) 12.151 16.736 ( 3.940 -1.287 5.442) 6.841 ======================= Grid point 476 (245/282) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -9.177 2.828 8.047) 12.529 1.198 ( -11.312 -1.899 7.698) 13.813 1.495 ( 1.316 -2.809 1.717) 3.545 1.690 ( 3.632 1.911 -2.909) 5.031 2.108 ( 3.950 -0.777 -4.406) 5.968 2.222 ( -1.857 0.280 0.924) 2.093 2.619 ( 3.780 1.781 4.772) 6.343 2.694 ( -4.621 -1.949 -2.683) 5.688 2.882 ( 0.107 -0.384 0.136) 0.421 3.239 ( 3.344 -0.539 3.569) 4.920 3.799 ( -6.417 -1.356 0.133) 6.560 4.139 ( 2.964 1.157 -7.139) 7.816 4.939 ( -3.303 -1.701 6.505) 7.491 5.343 ( -0.069 1.286 -3.683) 3.902 7.186 ( -11.726 2.104 6.936) 13.785 7.483 ( 0.461 -0.146 -10.644) 10.655 9.669 ( 0.352 0.676 5.334) 5.388 10.154 ( 10.267 -2.003 16.480) 19.519 11.411 ( -3.018 -1.294 -1.246) 3.512 11.532 ( -3.652 -0.052 -6.418) 7.385 14.665 ( -2.751 3.371 3.380) 5.509 15.002 ( -3.254 9.785 2.441) 10.597 15.824 ( -4.333 3.447 -3.425) 6.511 16.816 ( 2.959 -1.309 -0.170) 3.240 ======================= Grid point 484 (246/282) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -12.587 -0.000 11.370) 16.962 1.245 ( -6.860 -0.000 1.518) 7.026 1.424 ( -3.861 -0.000 -1.198) 4.043 1.705 ( 3.972 0.000 -2.960) 4.953 2.070 ( 5.414 0.000 -4.735) 7.192 2.232 ( -3.252 -0.000 4.468) 5.526 2.569 ( 4.375 0.000 2.823) 5.207 2.723 ( -3.097 -0.000 -2.673) 4.091 2.859 ( -0.103 -0.000 0.996) 1.001 3.148 ( 4.876 0.000 5.184) 7.117 3.866 ( -6.857 -0.000 -0.609) 6.884 4.192 ( 1.480 0.000 -6.333) 6.503 4.901 ( -4.363 -0.000 7.187) 8.408 5.387 ( 2.739 0.000 -3.930) 4.790 7.365 ( -14.214 -0.000 3.855) 14.728 7.615 ( -4.151 -0.000 -10.604) 11.388 9.666 ( 1.437 0.000 1.912) 2.392 9.762 ( 10.050 0.000 21.852) 24.053 11.425 ( -3.057 -0.000 -1.807) 3.551 11.621 ( -3.884 -0.000 -4.821) 6.191 14.795 ( -4.963 -0.000 2.934) 5.765 15.145 ( 1.868 0.000 1.562) 2.436 16.106 ( -3.103 -0.000 -14.997) 15.314 16.711 ( 1.463 0.000 10.192) 10.297 ======================= Grid point 485 (247/282) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -12.169 3.261 11.433) 17.013 1.164 ( -11.891 -0.937 7.674) 14.183 1.427 ( 2.993 -2.244 -1.414) 3.999 1.723 ( 3.888 0.777 -3.534) 5.312 2.096 ( 5.041 -0.228 -5.387) 7.381 2.217 ( -5.486 -0.393 4.564) 7.147 2.648 ( 2.978 0.648 4.926) 5.793 2.665 ( -2.627 -0.557 -2.825) 3.897 2.868 ( 1.267 -0.453 -1.046) 1.705 3.232 ( 1.834 -0.085 4.671) 5.019 3.778 ( -6.781 -0.451 -0.369) 6.806 4.158 ( 2.347 0.407 -6.417) 6.845 4.911 ( -4.386 -0.599 7.239) 8.485 5.365 ( -0.345 0.498 -4.146) 4.190 7.219 ( -13.920 0.708 5.438) 14.961 7.481 ( -2.212 0.004 -11.007) 11.227 9.685 ( -0.876 0.499 3.187) 3.343 10.109 ( 15.477 -1.259 18.068) 23.824 11.387 ( -1.751 -0.583 -1.001) 2.099 11.531 ( -2.683 -0.001 -5.473) 6.095 14.745 ( -4.688 2.458 3.549) 6.373 15.151 ( 1.128 2.547 -1.678) 3.252 15.932 ( -2.124 4.141 -11.861) 12.741 16.780 ( -1.479 -1.274 3.612) 4.106 ======================= Grid point 486 (248/282) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -9.359 3.331 11.255) 15.012 1.127 ( -9.075 -1.777 11.511) 14.765 1.497 ( 3.972 -2.942 -0.939) 5.031 1.722 ( 2.788 1.165 -3.936) 4.962 2.105 ( 2.951 -0.150 -5.415) 6.169 2.189 ( -5.057 -1.203 2.923) 5.963 2.612 ( -2.527 0.112 -2.712) 3.709 2.711 ( 0.780 0.694 5.964) 6.054 2.884 ( 2.236 -0.548 -1.657) 2.836 3.269 ( -0.884 -0.552 1.593) 1.904 3.712 ( -5.661 -1.105 1.588) 5.982 4.140 ( 3.729 0.692 -5.401) 6.600 4.924 ( -5.014 -1.407 6.981) 8.710 5.302 ( -3.015 0.538 -3.953) 5.001 7.109 ( -12.033 -0.280 8.185) 14.556 7.395 ( 1.739 -1.550 -10.546) 10.801 9.688 ( -2.593 -0.445 2.752) 3.807 10.408 ( 13.795 0.751 4.970) 14.682 11.378 ( -1.185 -0.240 1.899) 2.251 11.500 ( 3.828 1.475 0.759) 4.172 14.690 ( -3.832 2.532 3.536) 5.797 15.073 ( -1.328 7.152 -3.396) 8.028 15.782 ( -2.270 3.475 -5.650) 7.011 16.761 ( -5.343 -3.631 -4.173) 7.690 ======================= Grid point 495 (249/282) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -12.133 -0.000 13.340) 18.033 1.105 ( -9.463 -0.000 11.772) 15.104 1.450 ( 6.126 0.000 -3.341) 6.978 1.736 ( 2.683 0.000 -4.545) 5.278 2.104 ( 3.896 0.000 -6.025) 7.175 2.171 ( -7.644 -0.000 5.214) 9.252 2.617 ( -0.894 -0.000 -2.445) 2.604 2.716 ( -0.634 -0.000 6.538) 6.569 2.877 ( 3.199 0.000 -3.229) 4.546 3.263 ( -1.603 -0.000 2.661) 3.107 3.699 ( -5.503 -0.000 1.307) 5.656 4.148 ( 3.405 0.000 -5.105) 6.136 4.907 ( -5.520 -0.000 7.496) 9.310 5.309 ( -3.291 -0.000 -4.271) 5.391 7.105 ( -13.236 -0.000 7.552) 15.239 7.376 ( 0.535 0.000 -10.910) 10.923 9.682 ( -3.368 -0.000 2.661) 4.292 10.415 ( 16.116 0.000 3.981) 16.601 11.374 ( -0.597 -0.000 2.135) 2.217 11.519 ( 6.001 0.000 1.356) 6.152 14.729 ( -5.438 -0.000 3.983) 6.741 15.147 ( 0.807 0.000 -5.644) 5.702 15.855 ( 2.507 0.000 -13.254) 13.489 16.707 ( -10.881 -0.000 -1.564) 10.993 ======================= Grid point 496 (250/282) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -9.227 1.726 13.084) 16.103 1.123 ( -5.148 -1.128 12.332) 13.411 1.514 ( 6.251 -1.650 -3.364) 7.288 1.718 ( 1.184 0.226 -4.763) 4.913 2.085 ( 0.746 0.385 -5.239) 5.306 2.124 ( -6.426 -1.531 2.898) 7.214 2.593 ( 0.791 1.406 -1.943) 2.526 2.752 ( -2.267 -0.519 6.672) 7.066 2.885 ( 2.191 -0.597 -3.944) 4.551 3.241 ( -3.505 0.060 0.071) 3.507 3.672 ( -2.899 -0.540 4.338) 5.245 4.156 ( 3.960 0.281 -3.810) 5.503 4.899 ( -6.651 -0.792 7.529) 10.077 5.223 ( -4.374 -0.018 -3.983) 5.916 7.027 ( -11.571 -1.003 9.773) 15.179 7.325 ( 4.060 -1.530 -10.233) 11.115 9.656 ( -4.410 -0.508 2.288) 4.994 10.512 ( 6.512 0.635 -12.912) 14.475 11.405 ( -0.220 0.144 6.809) 6.814 11.724 ( 20.790 2.817 8.596) 22.672 14.682 ( -5.676 1.043 3.611) 6.808 15.069 ( -1.354 3.243 -8.719) 9.401 15.772 ( 3.331 4.521 -9.154) 10.740 16.509 ( -18.968 -6.076 -6.206) 20.862 ======================= Grid point 506 (251/282) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -7.712 -0.000 13.006) 15.120 1.166 ( -1.127 -0.000 8.749) 8.821 1.558 ( 6.460 0.000 -3.302) 7.255 1.687 ( 0.332 0.000 -4.386) 4.398 2.044 ( -0.794 -0.000 -5.836) 5.889 2.048 ( -7.021 -0.000 2.080) 7.323 2.618 ( 3.654 0.000 -1.922) 4.129 2.770 ( -1.830 -0.000 5.473) 5.771 2.860 ( -0.782 -0.000 -2.516) 2.635 3.193 ( -3.918 -0.000 -0.661) 3.973 3.697 ( -0.347 -0.000 6.726) 6.735 4.175 ( 3.404 0.000 -3.430) 4.832 4.868 ( -7.562 -0.000 7.803) 10.866 5.141 ( -3.219 -0.000 -3.582) 4.816 6.969 ( -10.639 -0.000 11.078) 15.360 7.296 ( 6.378 0.000 -9.847) 11.732 9.616 ( -4.792 -0.000 3.057) 5.684 10.415 ( 0.798 0.000 -19.220) 19.237 11.485 ( 0.038 0.000 12.210) 12.210 12.133 ( 30.225 0.000 3.616) 30.440 14.636 ( -6.878 -0.000 3.079) 7.536 14.964 ( -4.879 -0.000 -12.740) 13.643 15.811 ( 11.228 0.000 -12.577) 16.860 16.094 ( -32.651 -0.000 0.108) 32.652 ======================= Grid point 507 (252/282) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 4.514 0.000 -6.779) 8.144 1.188 ( -4.514 -0.000 6.779) 8.144 1.624 ( 0.535 0.000 -1.012) 1.144 1.624 ( -0.535 -0.000 1.012) 1.144 1.914 ( -0.903 -0.000 -0.281) 0.946 1.914 ( 0.903 0.000 0.281) 0.946 2.658 ( -3.387 -0.000 -0.305) 3.401 2.658 ( 3.387 0.000 0.305) 3.401 3.051 ( -1.400 -0.000 -4.120) 4.351 3.051 ( 1.400 0.000 4.120) 4.351 4.017 ( 0.850 0.000 -8.635) 8.676 4.017 ( -0.850 -0.000 8.635) 8.676 4.979 ( 5.965 0.000 -7.360) 9.473 4.979 ( -5.965 -0.000 7.360) 9.473 7.138 ( 8.149 0.000 -9.893) 12.817 7.138 ( -8.149 -0.000 9.893) 12.817 9.794 ( 0.759 0.000 -12.047) 12.071 9.794 ( -0.759 -0.000 12.047) 12.071 12.198 ( 6.663 0.000 -24.000) 24.907 12.198 ( -6.663 -0.000 24.000) 24.907 14.530 ( 0.287 0.000 -0.145) 0.321 14.530 ( -0.287 -0.000 0.145) 0.321 15.723 ( 21.368 0.000 -13.264) 25.150 15.723 ( -21.368 -0.000 13.264) 25.150 ======================= Grid point 509 (253/282) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.541 -0.324 -2.108) 2.200 1.219 ( 1.434 -3.675 -0.319) 3.958 1.593 ( -0.568 2.704 -1.488) 3.138 1.623 ( 0.095 0.535 0.914) 1.064 1.936 ( 1.762 -1.835 0.745) 2.651 1.965 ( 3.176 -2.123 1.960) 4.294 2.605 ( -4.315 1.066 0.440) 4.467 2.703 ( 1.978 -0.808 2.150) 3.031 2.997 ( -0.039 0.993 -5.147) 5.242 3.097 ( 2.377 1.279 3.117) 4.123 3.953 ( 0.806 -0.567 -9.748) 9.797 4.069 ( -1.529 -0.247 6.730) 6.906 4.983 ( -2.553 -0.163 5.792) 6.332 5.010 ( 6.979 -1.159 -6.180) 9.394 7.136 ( -7.065 -2.539 8.641) 11.446 7.173 ( 7.973 -2.521 -9.502) 12.657 9.718 ( 1.360 1.058 -7.772) 7.961 9.900 ( 0.592 0.733 14.951) 14.980 12.012 ( -0.211 2.534 -23.517) 23.654 12.208 ( -15.120 4.164 16.384) 22.680 14.557 ( 1.848 0.212 3.383) 3.861 14.608 ( 4.344 -3.342 5.277) 7.608 15.623 ( -15.763 -3.877 12.381) 20.416 15.935 ( 23.640 -4.058 -9.022) 25.626 ======================= Grid point 510 (254/282) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.928 0.609 -3.774) 3.934 1.290 ( 1.832 -4.947 -0.740) 5.327 1.537 ( -0.707 2.534 -2.108) 3.371 1.632 ( -0.369 0.171 2.544) 2.577 1.996 ( 2.663 -2.279 0.316) 3.520 2.056 ( 3.695 -2.231 2.710) 5.096 2.538 ( -3.364 2.449 0.794) 4.237 2.768 ( 1.087 -2.437 3.985) 4.796 2.943 ( 0.655 1.449 -5.528) 5.752 3.136 ( 3.320 2.073 2.865) 4.850 3.894 ( 1.419 -1.224 -10.079) 10.252 4.092 ( -2.734 -0.088 4.382) 5.166 5.010 ( 0.908 0.172 2.668) 2.823 5.075 ( 6.428 -2.096 -3.276) 7.513 7.163 ( -5.528 -4.260 6.972) 9.865 7.231 ( 6.767 -3.990 -8.423) 11.518 9.676 ( 1.599 1.686 -2.768) 3.614 10.037 ( 1.968 0.999 16.494) 16.641 11.786 ( -2.484 2.127 -18.659) 18.944 12.017 ( -18.367 6.282 5.142) 20.081 14.609 ( 1.763 0.934 4.257) 4.701 14.752 ( 2.759 -2.671 7.663) 8.572 15.621 ( -8.382 -6.181 8.216) 13.266 16.237 ( 21.007 -6.110 -1.361) 21.920 ======================= Grid point 511 (255/282) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.732 1.775 -3.895) 4.343 1.357 ( 2.320 -4.233 -2.783) 5.572 1.485 ( -1.944 1.428 -0.656) 2.500 1.648 ( -1.092 0.028 3.456) 3.624 2.052 ( 2.181 -2.518 -0.898) 3.450 2.136 ( 2.124 -0.518 2.769) 3.528 2.500 ( 0.231 1.674 2.052) 2.658 2.843 ( -0.025 -2.905 4.042) 4.978 2.881 ( -0.337 1.891 -5.579) 5.900 3.186 ( 4.483 1.746 3.396) 5.889 3.855 ( 2.647 -1.776 -9.248) 9.782 4.076 ( -4.026 0.379 2.427) 4.717 5.040 ( 2.121 0.227 0.535) 2.199 5.155 ( 5.312 -1.817 -1.172) 5.735 7.210 ( -4.293 -4.588 6.175) 8.809 7.286 ( 5.254 -3.748 -7.759) 10.093 9.675 ( 2.083 1.251 1.403) 2.806 10.188 ( 2.050 1.146 15.982) 16.154 11.603 ( -2.729 0.808 -13.431) 13.730 11.736 ( -14.942 5.552 -3.330) 16.285 14.642 ( 0.744 1.409 3.377) 3.734 14.846 ( -0.579 -0.742 6.866) 6.930 15.681 ( -2.432 -5.900 3.748) 7.401 16.540 ( 14.275 -5.081 3.693) 15.596 ======================= Grid point 512 (256/282) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.362 1.653 -2.488) 3.008 1.398 ( 4.631 -3.189 -8.268) 9.999 1.448 ( -4.743 1.303 5.841) 7.636 1.659 ( -0.996 0.078 2.469) 2.663 2.096 ( 1.500 -2.996 -1.776) 3.793 2.157 ( -0.194 2.221 2.261) 3.176 2.550 ( 4.044 -1.036 3.964) 5.757 2.789 ( -3.138 2.326 -5.149) 6.463 2.894 ( -0.158 -1.567 1.794) 2.387 3.255 ( 3.666 0.631 3.059) 4.816 3.850 ( 3.406 -1.740 -6.374) 7.433 4.030 ( -4.269 0.812 1.426) 4.573 5.063 ( 1.503 0.111 -0.138) 1.514 5.220 ( 3.104 -0.910 -0.282) 3.247 7.261 ( -3.362 -3.250 5.812) 7.459 7.315 ( 3.811 -1.932 -6.897) 8.113 9.713 ( 2.073 0.279 2.613) 3.347 10.307 ( 0.570 1.158 10.873) 10.950 11.470 ( -3.483 0.559 -8.041) 8.781 11.511 ( -6.077 2.464 -4.834) 8.147 14.653 ( 0.081 1.030 1.815) 2.088 14.880 ( -1.339 0.132 3.965) 4.187 15.744 ( -0.104 -3.418 1.135) 3.603 16.749 ( 6.719 -2.564 3.459) 7.980 ======================= Grid point 513 (257/282) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -0.000 -0.000 0.000) 0.000 1.412 ( -0.000 0.000 0.000) 0.000 1.435 ( 0.000 -0.000 -0.000) 0.000 1.663 ( 0.000 -0.000 0.000) 0.000 2.132 ( -0.000 0.000 0.000) 0.000 2.133 ( 0.000 -0.000 -0.000) 0.000 2.664 ( -0.000 0.000 -0.000) 0.000 2.671 ( 0.000 -0.000 0.000) 0.000 2.909 ( 0.000 -0.000 -0.000) 0.000 3.290 ( 0.000 -0.000 -0.000) 0.000 3.861 ( 0.000 -0.000 -0.000) 0.000 3.997 ( 0.000 -0.000 -0.000) 0.000 5.071 ( 0.000 -0.000 0.000) 0.000 5.244 ( 0.000 -0.000 -0.000) 0.000 7.288 ( 0.000 -0.000 -0.000) 0.000 7.317 ( 0.000 -0.000 0.000) 0.000 9.740 ( 0.000 -0.000 -0.000) 0.000 10.348 ( 0.000 -0.000 -0.000) 0.000 11.402 ( 0.000 -0.000 -0.000) 0.000 11.446 ( 0.000 -0.000 -0.000) 0.000 14.654 ( 0.000 -0.000 -0.000) 0.000 14.885 ( 0.000 -0.000 -0.000) 0.000 15.769 ( 0.000 -0.000 -0.000) 0.000 16.820 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 520 (258/282) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 5.769 0.000 -7.763) 9.672 1.190 ( -2.137 -0.000 3.994) 4.530 1.589 ( -0.071 -0.000 -4.601) 4.601 1.617 ( -1.540 -0.000 2.081) 2.589 1.967 ( 2.315 0.000 1.972) 3.040 2.024 ( 4.693 0.000 2.976) 5.557 2.573 ( -3.617 -0.000 1.767) 4.025 2.734 ( 0.660 0.000 3.377) 3.441 2.961 ( 0.821 0.000 -6.146) 6.201 3.162 ( 3.131 0.000 2.568) 4.050 3.879 ( 1.781 0.000 -10.693) 10.840 4.090 ( -2.937 -0.000 5.212) 5.983 5.025 ( -0.003 -0.000 7.432) 7.432 5.036 ( 8.001 0.000 -8.096) 11.382 7.111 ( -6.448 -0.000 9.327) 11.339 7.182 ( 9.106 0.000 -10.332) 13.772 9.697 ( 2.209 0.000 -4.352) 4.881 10.048 ( 1.000 0.000 17.061) 17.090 11.814 ( -3.388 -0.000 -20.354) 20.634 12.096 ( -21.583 -0.000 6.990) 22.686 14.633 ( 2.525 0.000 4.258) 4.950 14.716 ( 4.906 0.000 11.128) 12.161 15.541 ( -10.841 -0.000 12.979) 16.911 16.159 ( 25.674 0.000 -5.653) 26.289 ======================= Grid point 521 (259/282) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 2.797 3.881 -3.086) 5.693 1.255 ( 3.574 -4.388 -2.401) 6.148 1.526 ( -0.994 1.587 -4.981) 5.322 1.628 ( -1.939 -1.241 3.068) 3.836 2.009 ( 0.849 -0.964 1.590) 2.044 2.115 ( 4.466 -0.793 3.086) 5.486 2.545 ( -1.873 1.496 2.338) 3.348 2.784 ( 0.340 -1.685 4.381) 4.706 2.913 ( 0.303 0.718 -6.429) 6.476 3.220 ( 3.993 0.873 2.189) 4.637 3.827 ( 3.489 -0.620 -10.359) 10.949 4.082 ( -4.311 0.129 3.802) 5.749 5.055 ( 5.639 0.926 -4.867) 7.506 5.112 ( 3.301 -1.605 3.997) 5.426 7.131 ( -4.483 -1.834 9.293) 10.480 7.223 ( 9.148 -1.418 -9.530) 13.287 9.700 ( 2.485 0.629 -1.034) 2.764 10.200 ( 0.709 0.110 16.478) 16.494 11.618 ( -3.880 0.340 -14.642) 15.151 11.831 ( -20.503 2.168 -1.623) 20.681 14.682 ( 0.620 1.253 4.592) 4.800 14.859 ( 2.386 1.001 11.627) 11.911 15.564 ( -4.295 -3.098 10.058) 11.367 16.449 ( 21.267 -2.184 -0.130) 21.379 ======================= Grid point 522 (260/282) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 3.713 5.099 -3.524) 7.225 1.324 ( 5.504 -3.137 -6.073) 8.776 1.468 ( -2.177 0.154 -0.435) 2.225 1.641 ( -2.597 -1.191 3.143) 4.247 2.037 ( -0.344 -1.803 0.708) 1.967 2.187 ( 2.462 0.413 2.532) 3.556 2.546 ( 0.887 0.578 3.425) 3.585 2.818 ( -4.660 -0.427 -0.077) 4.680 2.865 ( 3.026 -0.160 -2.827) 4.144 3.275 ( 3.961 0.897 1.144) 4.219 3.814 ( 5.436 -1.128 -8.348) 10.025 4.048 ( -5.016 0.601 3.464) 6.126 5.069 ( 4.509 0.368 -5.261) 6.939 5.197 ( 2.019 -0.897 4.282) 4.818 7.193 ( -2.248 -2.219 9.496) 10.008 7.277 ( 8.720 -1.192 -8.191) 12.023 9.725 ( 2.615 0.528 0.584) 2.732 10.315 ( -1.870 -0.186 11.182) 11.338 11.473 ( -3.667 -0.109 -8.554) 9.308 11.565 ( -12.597 1.706 -4.221) 13.395 14.695 ( -0.717 2.104 3.795) 4.398 14.936 ( 0.031 3.481 9.992) 10.581 15.654 ( 0.572 -3.639 6.098) 7.125 16.698 ( 13.008 -1.575 1.699) 13.212 ======================= Grid point 523 (261/282) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 3.776 5.238 -2.906) 7.081 1.368 ( 7.165 -2.015 -8.631) 11.397 1.462 ( -2.588 0.214 5.359) 5.955 1.642 ( -2.446 -1.360 1.066) 2.994 2.060 ( -0.406 -2.670 -0.184) 2.706 2.202 ( -0.234 2.471 2.258) 3.355 2.615 ( 3.032 -1.849 4.730) 5.915 2.715 ( -6.050 1.373 -4.162) 7.471 2.901 ( 2.417 -0.530 -0.573) 2.540 3.300 ( 1.255 0.696 -1.811) 2.311 3.846 ( 5.720 -0.989 -4.545) 7.373 4.012 ( -3.777 0.989 4.327) 5.828 5.071 ( 2.982 -0.002 -4.881) 5.719 5.245 ( -0.959 0.066 4.088) 4.200 7.275 ( -0.670 -0.798 9.462) 9.520 7.326 ( 8.085 0.460 -6.367) 10.301 9.747 ( 1.483 0.505 -1.116) 1.923 10.328 ( -4.739 -1.507 -0.245) 4.979 11.394 ( -2.276 -0.622 -1.381) 2.734 11.445 ( -3.066 0.001 1.023) 3.232 14.683 ( -0.862 2.326 2.333) 3.406 14.954 ( -0.128 4.799 7.039) 8.520 15.746 ( 2.242 -1.664 3.662) 4.605 16.823 ( 5.304 0.268 -0.882) 5.384 ======================= Grid point 524 (262/282) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 3.951 3.459 -0.553) 5.281 1.415 ( 6.633 -1.210 -5.349) 8.607 1.468 ( -2.047 2.130 5.704) 6.424 1.633 ( -1.296 -1.878 -2.080) 3.088 2.088 ( 0.271 -3.158 -1.333) 3.439 2.173 ( -1.934 3.228 2.679) 4.619 2.584 ( -6.164 1.498 -3.851) 7.421 2.725 ( 2.824 -2.911 5.204) 6.598 2.920 ( 2.157 0.590 -1.734) 2.829 3.252 ( -2.888 0.429 -5.240) 5.998 3.884 ( 1.900 0.881 1.552) 2.607 4.019 ( 0.962 0.096 3.146) 3.292 5.062 ( 1.652 -0.027 -4.290) 4.597 5.240 ( -4.083 0.867 3.975) 5.764 7.333 ( 2.356 2.555 3.224) 4.741 7.365 ( 4.509 2.228 1.112) 5.151 9.717 ( -1.265 0.648 -4.482) 4.702 10.252 ( -3.986 -3.429 -10.806) 12.017 11.426 ( 1.949 -2.769 5.131) 6.147 11.479 ( 1.067 -0.466 7.643) 7.731 14.663 ( -0.160 2.005 0.674) 2.122 14.943 ( 0.794 4.884 3.207) 5.896 15.802 ( 2.323 1.535 2.663) 3.853 16.810 ( -0.805 2.490 -4.850) 5.511 ======================= Grid point 525 (263/282) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 4.468 1.568 2.251) 5.243 1.449 ( 1.979 2.874 -1.487) 3.793 1.469 ( 0.915 0.544 3.991) 4.130 1.620 ( -0.336 -2.207 -4.430) 4.961 2.102 ( -0.662 -0.460 -2.140) 2.287 2.136 ( -2.027 1.414 2.277) 3.361 2.484 ( -3.389 0.249 -2.071) 3.979 2.827 ( 1.148 -2.615 5.096) 5.841 2.906 ( 1.075 2.175 -3.269) 4.070 3.152 ( -5.094 -0.912 -5.823) 7.790 3.905 ( -0.284 2.246 6.332) 6.725 4.066 ( 3.027 -0.336 0.452) 3.079 5.042 ( 1.009 0.293 -3.890) 4.030 5.194 ( -6.251 1.503 4.077) 7.613 7.332 ( 4.153 5.383 -1.093) 6.886 7.388 ( 0.701 4.593 5.355) 7.090 9.651 ( -2.090 -0.619 -4.510) 5.009 10.135 ( -3.662 -3.531 -15.761) 16.562 11.582 ( 3.525 -1.918 10.493) 11.234 11.593 ( 5.688 -5.038 7.183) 10.456 14.643 ( 0.689 1.799 -0.778) 2.077 14.911 ( 0.891 4.512 -0.513) 4.628 15.813 ( 2.879 4.993 1.786) 6.034 16.668 ( -6.547 5.267 -7.217) 11.076 ======================= Grid point 526 (264/282) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 4.745 1.163 4.185) 6.433 1.408 ( 0.007 4.791 0.008) 4.791 1.501 ( 0.245 -0.176 2.292) 2.312 1.603 ( -0.271 -2.204 -5.074) 5.538 2.055 ( -2.062 2.236 -0.605) 3.101 2.103 ( -2.907 1.381 -0.592) 3.272 2.481 ( 2.171 -2.024 0.420) 2.998 2.834 ( -1.982 2.939 -4.843) 6.002 2.900 ( -0.124 -2.043 4.720) 5.145 3.078 ( -3.499 -2.523 -3.799) 5.748 3.935 ( -0.257 2.187 8.046) 8.342 4.094 ( 2.216 0.148 -2.135) 3.081 5.018 ( 1.476 0.767 -3.986) 4.319 5.124 ( -7.182 1.977 4.419) 8.661 7.297 ( 4.087 6.724 -2.031) 8.126 7.358 ( -1.772 6.441 4.998) 8.343 9.626 ( -1.017 -2.275 -0.411) 2.526 9.993 ( -3.580 -2.902 -15.923) 16.577 11.728 ( 0.803 -2.471 14.964) 15.188 11.830 ( 11.631 -8.741 -0.446) 14.556 14.622 ( 1.252 2.299 -1.525) 3.030 14.841 ( -1.276 4.767 -3.138) 5.848 15.795 ( 5.737 7.753 -0.277) 9.649 16.414 ( -12.336 8.080 -5.699) 15.810 ======================= Grid point 527 (265/282) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 3.875 2.764 4.068) 6.261 1.335 ( -1.476 5.588 -0.625) 5.813 1.528 ( 0.249 -2.061 1.191) 2.394 1.584 ( -1.127 -2.325 -3.459) 4.318 2.000 ( -0.983 2.905 -0.429) 3.097 2.031 ( -3.014 2.810 -0.777) 4.193 2.565 ( 4.944 -2.076 1.566) 5.586 2.732 ( -3.678 1.384 -3.886) 5.527 2.959 ( 0.148 -1.937 4.295) 4.714 3.048 ( -2.179 -2.540 -3.094) 4.558 3.979 ( -0.174 1.564 8.254) 8.403 4.080 ( 1.117 0.659 -5.015) 5.180 4.999 ( 3.122 1.155 -4.556) 5.643 5.050 ( -6.884 1.980 4.892) 8.674 7.247 ( 4.548 6.568 -3.761) 8.830 7.284 ( -4.082 6.564 5.106) 9.263 9.672 ( -0.023 -2.748 5.357) 6.020 9.863 ( -2.324 -2.463 -13.703) 14.116 11.913 ( -0.795 -5.192 18.316) 19.054 12.039 ( 11.031 -9.137 -10.793) 17.935 14.596 ( 1.837 3.427 -0.961) 4.005 14.714 ( -4.138 5.445 -3.742) 7.795 15.782 ( 11.291 8.723 -3.896) 14.791 16.102 ( -16.683 9.159 0.266) 19.034 ======================= Grid point 528 (266/282) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 3.578 4.120 -7.204) 9.037 1.241 ( -3.578 4.120 7.204) 9.037 1.580 ( -1.052 -2.887 -1.484) 3.412 1.580 ( 1.052 -2.887 1.484) 3.412 1.962 ( 0.006 3.236 -1.289) 3.483 1.962 ( -0.006 3.236 1.289) 3.483 2.654 ( -4.113 -0.375 -1.755) 4.487 2.654 ( 4.113 -0.375 1.755) 4.487 3.025 ( -0.960 -1.978 -4.090) 4.643 3.025 ( 0.960 -1.978 4.090) 4.643 4.027 ( 1.280 0.838 -8.427) 8.565 4.027 ( -1.280 0.838 8.427) 8.565 4.995 ( 6.048 1.290 -7.280) 9.552 4.995 ( -6.048 1.290 7.280) 9.552 7.199 ( 7.321 5.020 -9.383) 12.917 7.199 ( -7.321 5.020 9.383) 12.917 9.771 ( -0.158 -1.937 -11.010) 11.180 9.771 ( 0.158 -1.937 11.010) 11.180 12.112 ( 6.008 -6.609 -20.354) 22.228 12.112 ( -6.008 -6.609 20.354) 22.228 14.581 ( -2.918 4.081 -1.453) 5.223 14.581 ( 2.918 4.081 1.453) 5.223 15.817 ( 11.558 7.396 -14.076) 19.658 15.817 ( -11.558 7.396 14.076) 19.658 ======================= Grid point 532 (267/282) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 8.901 0.000 -8.271) 12.150 1.237 ( 2.633 0.000 1.666) 3.116 1.463 ( -1.043 -0.000 -7.827) 7.896 1.625 ( -3.399 -0.000 5.547) 6.506 2.015 ( -1.475 -0.000 2.329) 2.757 2.189 ( 4.053 0.000 2.518) 4.771 2.558 ( -0.934 -0.000 3.120) 3.257 2.802 ( -3.184 -0.000 3.554) 4.772 2.870 ( 2.497 0.000 -6.399) 6.869 3.287 ( 3.945 0.000 0.463) 3.972 3.800 ( 5.859 0.000 -8.792) 10.565 4.055 ( -5.035 -0.000 4.028) 6.448 5.075 ( 5.963 0.000 -8.473) 10.361 5.185 ( 1.347 0.000 7.319) 7.442 7.166 ( -1.597 -0.000 10.603) 10.722 7.263 ( 10.398 0.000 -8.444) 13.395 9.732 ( 2.839 0.000 -0.324) 2.857 10.311 ( -2.791 -0.000 11.356) 11.694 11.471 ( -4.059 -0.000 -8.744) 9.640 11.585 ( -14.996 -0.000 -3.947) 15.506 14.726 ( -1.346 -0.000 5.591) 5.751 14.986 ( 1.379 0.000 10.070) 10.164 15.604 ( -0.181 -0.000 10.065) 10.067 16.679 ( 15.951 0.000 0.729) 15.967 ======================= Grid point 533 (268/282) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 6.424 6.658 -4.024) 10.089 1.327 ( 8.268 -1.749 -6.189) 10.474 1.415 ( -0.369 -3.573 -3.731) 5.179 1.623 ( -4.666 -0.147 5.538) 7.243 2.015 ( -2.232 -0.986 2.106) 3.223 2.242 ( 1.971 0.876 1.715) 2.755 2.587 ( 0.588 -0.547 4.332) 4.406 2.731 ( -7.200 0.189 -2.037) 7.485 2.891 ( 4.668 -0.228 -2.579) 5.338 3.315 ( 1.837 0.399 -2.772) 3.349 3.826 ( 7.460 -0.481 -5.865) 9.501 4.032 ( -4.334 0.505 5.564) 7.071 5.071 ( 4.568 0.006 -7.884) 9.112 5.246 ( -1.276 0.030 6.687) 6.808 7.260 ( 1.187 -0.366 11.434) 11.502 7.334 ( 10.828 0.157 -6.421) 12.590 9.758 ( 2.559 0.324 -1.643) 3.058 10.294 ( -7.912 -0.927 -0.710) 7.998 11.379 ( -3.517 -0.416 -2.135) 4.135 11.446 ( -4.933 0.046 1.701) 5.218 14.742 ( -1.595 1.852 5.313) 5.849 15.052 ( -0.098 2.507 7.842) 8.233 15.709 ( 2.717 -1.033 8.751) 9.221 16.830 ( 8.704 0.228 -1.614) 8.855 ======================= Grid point 534 (269/282) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 4.779 6.480 -3.520) 8.787 1.393 ( 8.979 -0.680 -5.859) 10.743 1.463 ( 2.383 -3.163 -0.770) 4.034 1.603 ( -5.030 -0.043 4.068) 6.469 2.022 ( -1.475 -2.106 0.960) 2.745 2.242 ( -0.839 2.411 1.553) 2.988 2.611 ( -7.604 0.673 -2.713) 8.101 2.661 ( 1.891 -2.257 5.358) 6.114 2.925 ( 4.153 -0.036 -3.136) 5.204 3.268 ( -2.221 0.699 -6.375) 6.787 3.889 ( 6.990 -0.235 -2.557) 7.447 4.034 ( -2.219 0.907 6.909) 7.313 5.060 ( 3.667 -0.090 -7.031) 7.931 5.259 ( -4.475 0.665 6.232) 7.701 7.376 ( 2.325 1.147 11.015) 11.316 7.413 ( 10.394 1.628 -3.807) 11.189 9.742 ( 0.200 1.287 -5.157) 5.319 10.161 ( -7.845 -3.742 -11.493) 14.409 11.369 ( -1.342 -1.796 4.298) 4.848 11.472 ( 0.716 -0.170 8.282) 8.315 14.735 ( -0.535 3.384 3.945) 5.224 15.062 ( -0.790 4.133 5.529) 6.948 15.824 ( 3.785 0.488 7.583) 8.490 16.860 ( 2.991 1.575 -5.947) 6.841 ======================= Grid point 535 (270/282) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 4.898 4.119 -0.600) 6.428 1.466 ( 7.814 -0.146 -3.475) 8.553 1.508 ( 2.418 -0.113 -0.793) 2.547 1.572 ( -4.497 -0.363 2.169) 5.006 2.045 ( 0.317 -2.826 -1.009) 3.017 2.200 ( -2.892 2.892 2.053) 4.576 2.498 ( -5.710 0.663 -1.539) 5.951 2.761 ( 1.649 -2.807 5.346) 6.259 2.939 ( 3.036 0.675 -3.661) 4.804 3.148 ( -5.631 0.443 -7.992) 9.786 3.949 ( 4.288 1.247 1.317) 4.656 4.067 ( 0.318 0.494 5.103) 5.137 5.049 ( 3.426 0.175 -6.219) 7.102 5.227 ( -6.771 1.279 6.020) 9.150 7.450 ( 4.318 4.316 4.442) 7.550 7.488 ( 6.253 3.565 3.152) 7.858 9.655 ( -2.353 1.074 -7.106) 7.562 10.024 ( -5.040 -5.593 -15.727) 17.436 11.463 ( 2.657 -4.259 7.414) 8.953 11.571 ( 1.116 -0.379 10.810) 10.874 14.720 ( 1.179 4.141 2.471) 4.965 15.031 ( -0.922 4.863 2.515) 5.552 15.911 ( 4.037 3.307 7.069) 8.787 16.774 ( -1.271 3.582 -9.550) 10.278 ======================= Grid point 536 (271/282) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 5.636 1.921 2.243) 6.363 1.506 ( 2.046 3.201 -0.891) 3.902 1.526 ( 4.071 -0.232 -2.230) 4.648 1.538 ( -3.676 -0.785 0.622) 3.810 2.065 ( 0.868 -1.489 -3.289) 3.713 2.143 ( -4.370 2.353 2.763) 5.680 2.452 ( -0.279 -0.481 1.102) 1.234 2.845 ( 0.470 -2.269 3.288) 4.023 2.902 ( -1.744 2.411 -4.185) 5.135 3.027 ( -3.700 -1.689 -5.595) 6.917 3.990 ( 2.150 2.264 4.261) 5.282 4.100 ( 1.014 0.408 1.491) 1.849 5.038 ( 3.785 0.815 -5.598) 6.806 5.167 ( -7.720 1.710 5.818) 9.817 7.462 ( 3.897 6.798 2.183) 8.134 7.515 ( 2.679 6.350 3.464) 7.713 9.580 ( -1.524 -1.347 -3.782) 4.294 9.898 ( -4.330 -5.045 -15.698) 17.047 11.640 ( 6.176 -6.858 4.519) 10.275 11.680 ( -0.172 -1.522 11.343) 11.446 14.709 ( 2.905 4.663 1.489) 5.692 14.964 ( -1.755 5.232 -0.440) 5.536 15.965 ( 4.954 6.382 6.491) 10.364 16.589 ( -5.381 6.369 -10.577) 13.468 ======================= Grid point 537 (272/282) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.966 1.149 4.028) 7.290 1.454 ( -2.094 3.150 -2.179) 4.366 1.517 ( -2.329 0.668 3.209) 4.021 1.539 ( 2.514 0.157 -4.716) 5.347 2.049 ( 1.125 0.914 -3.238) 3.547 2.083 ( -4.666 1.775 2.374) 5.528 2.519 ( 5.021 -1.607 3.440) 6.295 2.761 ( -5.955 0.997 -6.379) 8.784 2.917 ( 0.152 -1.460 4.449) 4.684 2.992 ( -0.933 -1.982 -3.562) 4.182 4.024 ( 1.064 2.133 5.341) 5.849 4.099 ( 0.381 0.933 -2.048) 2.283 5.032 ( 4.694 1.489 -5.269) 7.212 5.097 ( -7.440 1.963 5.528) 9.474 7.426 ( 2.889 8.160 0.711) 8.685 7.463 ( -0.334 8.130 1.826) 8.339 9.597 ( 0.496 -3.316 2.638) 4.267 9.783 ( -3.537 -4.237 -12.876) 14.009 11.797 ( -1.883 -4.258 11.986) 12.859 11.823 ( 7.105 -8.313 -3.447) 11.466 14.706 ( 4.158 5.427 1.307) 6.961 14.853 ( -3.763 5.921 -2.258) 7.370 15.998 ( 7.523 8.881 4.988) 12.662 16.326 ( -9.306 9.060 -8.057) 15.284 ======================= Grid point 538 (273/282) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 2.742 3.852 -9.467) 10.582 1.348 ( -2.742 3.852 9.467) 10.582 1.524 ( 0.705 -1.055 -3.476) 3.700 1.524 ( -0.705 -1.055 3.476) 3.700 2.031 ( 2.400 2.218 -3.003) 4.438 2.031 ( -2.400 2.218 3.003) 4.438 2.640 ( -5.956 -0.740 -4.138) 7.290 2.640 ( 5.956 -0.740 4.138) 7.290 2.975 ( -0.036 -1.923 -4.240) 4.656 2.975 ( 0.036 -1.923 4.240) 4.656 4.055 ( 2.175 1.442 -7.640) 8.073 4.055 ( -2.175 1.442 7.640) 8.073 5.034 ( 6.334 1.867 -7.082) 9.683 5.034 ( -6.334 1.867 7.082) 9.683 7.359 ( 5.730 8.089 -8.279) 12.915 7.359 ( -5.730 8.089 8.279) 12.915 9.704 ( -1.847 -3.576 -8.973) 9.835 9.704 ( 1.847 -3.576 8.973) 9.835 11.931 ( 4.956 -7.771 -12.596) 15.608 11.931 ( -4.956 -7.771 12.596) 15.608 14.706 ( -4.158 6.078 -2.337) 7.726 14.706 ( 4.158 6.078 2.337) 7.726 16.033 ( 5.281 10.023 -16.431) 19.958 16.033 ( -5.281 10.023 16.431) 19.958 ======================= Grid point 544 (274/282) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -2.151 -0.000 -2.766) 3.504 1.340 ( 10.659 0.000 -9.703) 14.414 1.396 ( 9.704 0.000 -1.552) 9.827 1.609 ( -5.721 -0.000 6.457) 8.626 1.997 ( -2.545 -0.000 2.200) 3.364 2.273 ( 0.200 0.000 0.587) 0.620 2.618 ( -8.157 -0.000 -1.915) 8.378 2.632 ( 1.003 0.000 5.618) 5.707 2.924 ( 5.088 0.000 -4.156) 6.569 3.277 ( -1.974 -0.000 -6.659) 6.946 3.885 ( 8.204 0.000 -3.323) 8.852 4.047 ( -2.650 -0.000 7.526) 7.979 5.059 ( 4.256 0.000 -7.867) 8.944 5.268 ( -4.479 -0.000 6.936) 8.257 7.389 ( 3.306 0.000 12.358) 12.793 7.434 ( 11.648 0.000 -3.990) 12.312 9.762 ( 1.541 0.000 -4.876) 5.114 10.109 ( -10.165 -0.000 -12.318) 15.971 11.347 ( -2.265 -0.000 4.067) 4.655 11.470 ( 0.620 0.000 8.434) 8.457 14.782 ( -1.201 -0.000 5.722) 5.847 15.111 ( -1.001 -0.000 4.669) 4.775 15.830 ( 3.820 0.000 10.886) 11.537 16.879 ( 4.240 0.000 -6.456) 7.724 ======================= Grid point 545 (275/282) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.400 3.993 -2.050) 4.702 1.408 ( 6.962 -3.558 -8.783) 11.759 1.509 ( 8.844 0.491 -0.254) 8.861 1.591 ( -4.793 0.711 6.268) 7.923 1.994 ( -1.038 -1.227 1.150) 1.976 2.254 ( -2.161 1.378 0.120) 2.565 2.509 ( -6.829 0.258 -0.790) 6.879 2.707 ( 1.528 -1.435 6.173) 6.520 2.945 ( 4.520 0.006 -5.180) 6.875 3.161 ( -5.737 0.412 -8.677) 10.411 3.964 ( 7.502 0.165 -1.588) 7.670 4.083 ( -1.536 0.568 7.703) 7.875 5.051 ( 4.556 0.010 -7.208) 8.527 5.250 ( -6.903 0.561 6.882) 9.763 7.524 ( 3.732 1.761 10.535) 11.314 7.546 ( 10.398 1.228 -0.506) 10.482 9.699 ( -1.542 2.142 -7.911) 8.340 9.897 ( -6.809 -4.163 -16.435) 18.270 11.395 ( 0.502 -1.441 8.088) 8.231 11.566 ( 1.195 -0.099 10.171) 10.242 14.805 ( 0.163 2.340 4.875) 5.410 15.111 ( -1.914 1.680 2.264) 3.407 15.968 ( 3.989 1.350 11.876) 12.601 16.832 ( 1.250 1.231 -11.055) 11.194 ======================= Grid point 546 (276/282) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 2.782 2.163 0.802) 3.614 1.442 ( 2.628 -3.539 -7.850) 9.003 1.580 ( 2.732 2.266 2.829) 4.539 1.584 ( 1.003 1.956 2.403) 3.257 2.019 ( 1.408 -1.857 -0.815) 2.469 2.198 ( -4.078 1.978 0.798) 4.602 2.449 ( -2.236 0.030 1.602) 2.751 2.793 ( 1.155 -1.953 4.659) 5.182 2.943 ( 1.470 0.882 -5.511) 5.772 3.002 ( -6.330 -0.330 -7.613) 9.906 4.031 ( 5.581 1.078 -0.219) 5.689 4.115 ( -1.149 0.805 5.676) 5.846 5.053 ( 5.305 0.365 -6.575) 8.456 5.202 ( -8.084 1.152 6.720) 10.575 7.602 ( 4.414 4.705 5.266) 8.328 7.637 ( 5.744 3.588 3.415) 7.585 9.575 ( -2.579 1.119 -7.268) 7.793 9.766 ( -4.117 -5.774 -14.898) 16.500 11.518 ( 3.509 -3.404 7.540) 8.986 11.656 ( -0.408 -0.591 8.982) 9.011 14.817 ( 2.121 3.893 3.744) 5.803 15.065 ( -2.634 2.936 0.029) 3.945 16.087 ( 4.015 3.799 12.123) 13.324 16.703 ( -1.151 3.183 -13.614) 14.028 ======================= Grid point 547 (277/282) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 3.829 0.141 3.047) 4.895 1.428 ( -1.622 -2.735 -5.596) 6.436 1.582 ( 0.204 2.826 2.653) 3.882 1.593 ( 2.413 3.188 -0.301) 4.010 2.047 ( 2.820 -0.680 -2.623) 3.911 2.125 ( -5.519 1.771 1.890) 6.097 2.493 ( 4.216 -0.687 4.700) 6.351 2.775 ( -6.259 0.138 -8.517) 10.570 2.891 ( -1.619 -0.821 5.911) 6.184 2.956 ( 1.272 -1.095 -5.260) 5.521 4.072 ( 3.319 1.800 1.071) 3.925 4.123 ( -1.188 1.078 2.085) 2.630 5.063 ( 6.143 1.042 -6.157) 8.759 5.140 ( -8.040 1.534 6.377) 10.375 7.611 ( 2.595 7.059 3.378) 8.245 7.644 ( 2.112 6.671 1.065) 7.078 9.528 ( -0.142 -2.206 -0.616) 2.294 9.671 ( -3.523 -4.994 -11.705) 13.205 11.666 ( 4.896 -4.897 2.378) 7.321 11.720 ( -2.274 -2.222 6.970) 7.661 14.831 ( 3.927 4.793 2.934) 6.856 14.976 ( -3.617 4.230 -1.808) 5.852 16.180 ( 4.783 6.267 11.628) 14.049 16.505 ( -3.964 5.841 -13.363) 15.113 ======================= Grid point 548 (278/282) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.471 -1.103 -8.174) 8.261 1.374 ( -0.471 -1.103 8.174) 8.261 1.562 ( 1.121 3.398 -2.821) 4.557 1.562 ( -1.121 3.398 2.821) 4.557 2.065 ( 4.223 0.895 -3.076) 5.301 2.065 ( -4.223 0.895 3.076) 5.301 2.623 ( -7.034 -0.565 -6.458) 9.566 2.623 ( 7.034 -0.565 6.458) 9.566 2.939 ( 1.034 -1.194 -5.359) 5.587 2.939 ( -1.034 -1.194 5.359) 5.587 4.092 ( 2.950 1.650 -6.117) 6.989 4.092 ( -2.950 1.650 6.117) 6.989 5.078 ( 6.928 1.681 -6.862) 9.895 5.078 ( -6.928 1.681 6.862) 9.895 7.559 ( 4.582 8.334 -7.396) 12.048 7.559 ( -4.582 8.334 7.396) 12.048 9.610 ( -1.969 -4.184 -7.376) 8.706 9.610 ( 1.969 -4.184 7.376) 8.706 11.774 ( 4.258 -5.226 -5.461) 8.675 11.774 ( -4.258 -5.226 5.461) 8.675 14.847 ( -4.003 5.535 -2.954) 7.442 14.847 ( 4.003 5.535 2.954) 7.442 16.255 ( 1.566 8.202 -17.269) 19.182 16.255 ( -1.566 8.202 17.269) 19.182 ======================= Grid point 556 (279/282) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.378 -0.000 1.026) 1.094 1.390 ( 4.905 0.000 -8.612) 9.911 1.601 ( -2.050 -0.000 5.188) 5.578 1.617 ( 6.880 0.000 -0.402) 6.892 1.994 ( 1.183 0.000 0.798) 1.427 2.224 ( -3.726 -0.000 -0.391) 3.746 2.449 ( -2.872 -0.000 1.726) 3.351 2.767 ( 1.326 0.000 5.427) 5.587 2.950 ( 3.940 0.000 -6.375) 7.494 3.002 ( -8.387 -0.000 -8.112) 11.668 4.043 ( 6.878 0.000 -1.566) 7.054 4.127 ( -1.899 -0.000 6.893) 7.149 5.057 ( 5.795 0.000 -6.822) 8.951 5.217 ( -8.218 -0.000 6.982) 10.783 7.667 ( 1.603 0.000 11.664) 11.774 7.673 ( 10.007 0.000 -1.538) 10.124 9.625 ( -3.283 -0.000 -7.114) 7.835 9.658 ( -3.675 -0.000 -16.209) 16.620 11.478 ( 2.764 0.000 8.496) 8.934 11.649 ( -0.383 -0.000 8.150) 8.159 14.868 ( 1.119 0.000 4.779) 4.908 15.099 ( -2.671 -0.000 -0.342) 2.693 16.134 ( 3.203 0.000 14.678) 15.023 16.740 ( 0.346 0.000 -14.860) 14.864 ======================= Grid point 557 (280/282) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.742 0.241 3.113) 3.209 1.374 ( 1.105 -1.445 -6.506) 6.756 1.622 ( -0.059 0.760 3.673) 3.751 1.656 ( 2.349 1.518 -1.424) 3.138 2.033 ( 3.828 -0.310 -0.152) 3.843 2.159 ( -5.382 0.888 0.121) 5.457 2.483 ( 3.580 -0.190 5.240) 6.349 2.772 ( -4.538 -0.231 -8.089) 9.278 2.878 ( -4.386 -0.245 5.785) 7.263 2.939 ( 2.766 -0.365 -6.866) 7.412 4.102 ( 5.376 0.620 -1.996) 5.768 4.145 ( -2.729 0.603 5.025) 5.750 5.079 ( 6.981 0.340 -6.546) 9.576 5.166 ( -8.484 0.603 6.791) 10.884 7.739 ( 2.245 3.320 5.070) 6.463 7.754 ( 3.993 2.211 1.160) 4.709 9.507 ( -1.069 0.652 -5.464) 5.605 9.563 ( -2.944 -3.751 -8.515) 9.759 11.591 ( 4.132 -1.540 5.174) 6.798 11.688 ( -2.382 -0.639 4.481) 5.115 14.914 ( 2.496 1.949 4.060) 5.149 15.043 ( -3.161 1.401 -2.114) 4.052 16.283 ( 2.560 2.282 15.720) 16.090 16.596 ( -0.816 1.909 -16.339) 16.470 ======================= Grid point 558 (281/282) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.102 -1.209 -5.857) 5.981 1.342 ( 0.102 -1.209 5.857) 5.981 1.631 ( 0.095 2.077 -2.068) 2.933 1.631 ( -0.095 2.077 2.068) 2.933 2.084 ( -4.873 0.724 0.895) 5.007 2.084 ( 4.873 0.724 -0.895) 5.007 2.614 ( -7.204 -0.251 -8.048) 10.804 2.614 ( 7.204 -0.251 8.048) 10.804 2.916 ( 1.852 -0.757 -6.988) 7.268 2.916 ( -1.852 -0.757 6.988) 7.268 4.127 ( 3.611 1.172 -4.393) 5.806 4.127 ( -3.611 1.172 4.393) 5.806 5.110 ( 7.708 0.966 -6.698) 10.257 5.110 ( -7.708 0.966 6.698) 10.257 7.729 ( 4.131 5.526 -6.824) 9.704 7.729 ( -4.131 5.526 6.824) 9.704 9.521 ( 0.001 -3.020 -5.464) 6.243 9.521 ( -0.001 -3.020 5.464) 6.243 11.686 ( -2.174 -2.341 -0.174) 3.199 11.686 ( 2.174 -2.341 0.174) 3.199 14.953 ( -3.294 3.156 -3.348) 5.658 14.953 ( 3.294 3.156 3.348) 5.659 16.405 ( -0.532 4.354 -17.234) 17.783 16.405 ( 0.532 4.354 17.234) 17.783 ======================= Grid point 569 (282/282) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.176 0.000 -5.069) 5.072 1.326 ( -0.176 -0.000 5.069) 5.072 1.656 ( -0.066 -0.000 -2.951) 2.951 1.656 ( 0.066 0.000 2.951) 2.951 2.094 ( -5.579 -0.000 -0.143) 5.581 2.094 ( 5.579 0.000 0.143) 5.581 2.611 ( -7.168 -0.000 -8.590) 11.188 2.611 ( 7.168 0.000 8.590) 11.188 2.906 ( 2.178 0.000 -7.796) 8.094 2.906 ( -2.178 -0.000 7.796) 8.094 4.142 ( 4.224 0.000 -3.644) 5.579 4.142 ( -4.224 -0.000 3.644) 5.579 5.121 ( 8.109 0.000 -6.637) 10.479 5.121 ( -8.109 -0.000 6.637) 10.479 7.797 ( 4.127 0.000 -6.434) 7.643 7.797 ( -4.127 -0.000 6.434) 7.643 9.482 ( 3.289 0.000 -3.773) 5.006 9.482 ( -3.289 -0.000 3.773) 5.006 11.659 ( -3.815 -0.000 -0.789) 3.895 11.659 ( 3.815 0.000 0.789) 3.895 14.990 ( -2.883 -0.000 -3.480) 4.519 14.990 ( 2.883 0.000 3.480) 4.519 16.457 ( -1.177 -0.000 -17.138) 17.178 16.457 ( 1.177 0.000 17.138) 17.178 =================== 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 3/24000 10.0 131.296 70.560 253.393 -0.000 -11.663 0.000 3/24000 20.0 44.155 20.132 87.664 -0.000 -6.210 0.000 3/24000 30.0 21.112 9.390 41.981 -0.000 -3.180 0.000 3/24000 40.0 13.112 5.802 26.039 -0.000 -2.063 0.000 3/24000 50.0 9.382 4.144 18.607 -0.000 -1.523 0.000 3/24000 60.0 7.292 3.216 14.436 -0.000 -1.214 0.000 3/24000 70.0 5.975 2.629 11.797 -0.000 -1.016 0.000 3/24000 80.0 5.077 2.228 9.985 -0.000 -0.880 0.000 3/24000 90.0 4.429 1.939 8.667 -0.000 -0.780 0.000 3/24000 100.0 3.943 1.722 7.667 -0.000 -0.704 0.000 3/24000 110.0 3.566 1.554 6.883 -0.000 -0.644 0.000 3/24000 120.0 3.267 1.421 6.253 -0.000 -0.597 0.000 3/24000 130.0 3.024 1.314 5.736 -0.000 -0.557 0.000 3/24000 140.0 2.822 1.226 5.303 -0.000 -0.525 0.000 3/24000 150.0 2.651 1.152 4.936 -0.000 -0.497 0.000 3/24000 160.0 2.505 1.089 4.620 -0.000 -0.473 0.000 3/24000 170.0 2.378 1.034 4.346 -0.000 -0.451 0.000 3/24000 180.0 2.266 0.987 4.104 -0.000 -0.433 0.000 3/24000 190.0 2.165 0.944 3.890 -0.000 -0.415 0.000 3/24000 200.0 2.075 0.906 3.698 -0.000 -0.400 0.000 3/24000 210.0 1.994 0.872 3.526 -0.000 -0.386 0.000 3/24000 220.0 1.919 0.840 3.370 -0.000 -0.373 0.000 3/24000 230.0 1.850 0.812 3.228 -0.000 -0.360 0.000 3/24000 240.0 1.786 0.785 3.097 -0.000 -0.349 0.000 3/24000 250.0 1.727 0.760 2.978 -0.000 -0.338 0.000 3/24000 260.0 1.672 0.737 2.867 -0.000 -0.328 0.000 3/24000 270.0 1.620 0.715 2.765 -0.000 -0.319 0.000 3/24000 280.0 1.572 0.695 2.670 -0.000 -0.310 0.000 3/24000 290.0 1.526 0.675 2.581 -0.000 -0.301 0.000 3/24000 300.0 1.483 0.657 2.498 -0.000 -0.293 0.000 3/24000 310.0 1.443 0.640 2.421 -0.000 -0.286 0.000 3/24000 320.0 1.404 0.623 2.348 -0.000 -0.278 0.000 3/24000 330.0 1.367 0.608 2.279 -0.000 -0.271 0.000 3/24000 340.0 1.333 0.593 2.215 -0.000 -0.265 0.000 3/24000 350.0 1.300 0.579 2.154 -0.000 -0.259 0.000 3/24000 360.0 1.268 0.565 2.096 -0.000 -0.253 0.000 3/24000 370.0 1.238 0.552 2.041 -0.000 -0.247 0.000 3/24000 380.0 1.209 0.540 1.989 -0.000 -0.241 0.000 3/24000 390.0 1.182 0.528 1.940 -0.000 -0.236 0.000 3/24000 400.0 1.156 0.517 1.893 -0.000 -0.231 0.000 3/24000 410.0 1.130 0.506 1.848 -0.000 -0.226 0.000 3/24000 420.0 1.106 0.495 1.806 -0.000 -0.221 0.000 3/24000 430.0 1.083 0.485 1.765 -0.000 -0.217 0.000 3/24000 440.0 1.061 0.476 1.726 -0.000 -0.212 0.000 3/24000 450.0 1.039 0.466 1.689 -0.000 -0.208 0.000 3/24000 460.0 1.019 0.457 1.653 -0.000 -0.204 0.000 3/24000 470.0 0.999 0.449 1.619 -0.000 -0.200 0.000 3/24000 480.0 0.980 0.440 1.586 -0.000 -0.197 0.000 3/24000 490.0 0.962 0.432 1.554 -0.000 -0.193 0.000 3/24000 500.0 0.944 0.425 1.524 -0.000 -0.190 0.000 3/24000 510.0 0.927 0.417 1.495 -0.000 -0.186 0.000 3/24000 520.0 0.911 0.410 1.467 -0.000 -0.183 0.000 3/24000 530.0 0.895 0.403 1.440 -0.000 -0.180 0.000 3/24000 540.0 0.879 0.396 1.414 -0.000 -0.177 0.000 3/24000 550.0 0.864 0.390 1.388 -0.000 -0.174 0.000 3/24000 560.0 0.850 0.383 1.364 -0.000 -0.171 0.000 3/24000 570.0 0.836 0.377 1.341 -0.000 -0.168 0.000 3/24000 580.0 0.822 0.371 1.318 -0.000 -0.166 0.000 3/24000 590.0 0.809 0.365 1.296 -0.000 -0.163 0.000 3/24000 600.0 0.797 0.360 1.275 -0.000 -0.160 0.000 3/24000 610.0 0.784 0.354 1.254 -0.000 -0.158 0.000 3/24000 620.0 0.772 0.349 1.235 -0.000 -0.156 0.000 3/24000 630.0 0.761 0.344 1.215 -0.000 -0.153 0.000 3/24000 640.0 0.750 0.339 1.197 -0.000 -0.151 0.000 3/24000 650.0 0.739 0.334 1.179 -0.000 -0.149 0.000 3/24000 660.0 0.728 0.329 1.161 -0.000 -0.147 0.000 3/24000 670.0 0.718 0.324 1.144 -0.000 -0.145 0.000 3/24000 680.0 0.708 0.320 1.127 -0.000 -0.143 0.000 3/24000 690.0 0.698 0.316 1.111 -0.000 -0.141 0.000 3/24000 700.0 0.688 0.311 1.096 -0.000 -0.139 0.000 3/24000 710.0 0.679 0.307 1.080 -0.000 -0.137 0.000 3/24000 720.0 0.670 0.303 1.066 -0.000 -0.135 0.000 3/24000 730.0 0.661 0.299 1.051 -0.000 -0.133 0.000 3/24000 740.0 0.653 0.295 1.037 -0.000 -0.132 0.000 3/24000 750.0 0.644 0.292 1.024 -0.000 -0.130 0.000 3/24000 760.0 0.636 0.288 1.010 -0.000 -0.128 0.000 3/24000 770.0 0.628 0.285 0.997 -0.000 -0.127 0.000 3/24000 780.0 0.620 0.281 0.985 -0.000 -0.125 0.000 3/24000 790.0 0.613 0.278 0.972 -0.000 -0.124 0.000 3/24000 800.0 0.606 0.274 0.960 -0.000 -0.122 0.000 3/24000 810.0 0.598 0.271 0.949 -0.000 -0.121 0.000 3/24000 820.0 0.591 0.268 0.937 -0.000 -0.119 0.000 3/24000 830.0 0.584 0.265 0.926 -0.000 -0.118 0.000 3/24000 840.0 0.578 0.262 0.915 -0.000 -0.117 0.000 3/24000 850.0 0.571 0.259 0.905 -0.000 -0.115 0.000 3/24000 860.0 0.565 0.256 0.894 -0.000 -0.114 0.000 3/24000 870.0 0.558 0.253 0.884 -0.000 -0.113 0.000 3/24000 880.0 0.552 0.250 0.874 -0.000 -0.112 0.000 3/24000 890.0 0.546 0.248 0.864 -0.000 -0.110 0.000 3/24000 900.0 0.540 0.245 0.855 -0.000 -0.109 0.000 3/24000 910.0 0.535 0.243 0.845 -0.000 -0.108 0.000 3/24000 920.0 0.529 0.240 0.836 -0.000 -0.107 0.000 3/24000 930.0 0.523 0.237 0.827 -0.000 -0.106 0.000 3/24000 940.0 0.518 0.235 0.819 -0.000 -0.105 0.000 3/24000 950.0 0.513 0.233 0.810 -0.000 -0.104 0.000 3/24000 960.0 0.507 0.230 0.802 -0.000 -0.103 0.000 3/24000 970.0 0.502 0.228 0.794 -0.000 -0.102 0.000 3/24000 980.0 0.497 0.226 0.786 -0.000 -0.101 0.000 3/24000 990.0 0.492 0.224 0.778 -0.000 -0.100 0.000 3/24000 1000.0 0.488 0.221 0.770 -0.000 -0.099 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:16:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|