----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:57:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.958672412936582 0.000000000000000 0.000000000000000 b -2.479336206468291 4.294336278648160 0.000000000000000 c 0.000000000000000 0.000000000000000 4.632444810000000 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 2 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 *3 F 0.67047618953876 0.67047618953876 0.25654706103050 18.998 4 F 0.32952381046124 0.00000000000000 0.25654706103050 18.998 5 F 0.32952381046124 0.32952381046124 0.74345293896950 18.998 6 F 0.00000000000000 0.67047618953876 0.74345293896950 18.998 7 F 0.67047618953876 0.00000000000000 0.74345293896950 18.998 8 F 0.00000000000000 0.32952381046124 0.25654706103050 18.998 *9 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.958672412936582 0.000000000000000 0.000000000000000 b -2.479336206468291 4.294336278648160 0.000000000000000 c 0.000000000000000 0.000000000000000 4.632444810000000 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 2 *3 F 0.67047618953876 0.67047618953876 0.25654706103050 18.998 > 3 4 F 0.32952381046124 0.00000000000000 0.25654706103050 18.998 > 4 5 F 0.32952381046124 0.32952381046124 0.74345293896950 18.998 > 5 6 F 0.00000000000000 0.67047618953876 0.74345293896950 18.998 > 6 7 F 0.67047618953876 0.00000000000000 0.74345293896950 18.998 > 7 8 F 0.00000000000000 0.32952381046124 0.25654706103050 18.998 > 8 *9 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.917344825873164 0.000000000000000 0.000000000000000 b -4.958672412936582 8.588672557296320 0.000000000000000 c 0.000000000000000 0.000000000000000 13.897334430000001 Atomic positions (fractional): *1 Li 0.33333333333333 0.16666666666667 0.16666666666667 6.941 > 1 2 Li 0.83333333333333 0.16666666666667 0.16666666666667 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 4 Li 0.83333333333333 0.66666666666667 0.16666666666667 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.50000000000000 6.941 > 1 6 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 1 7 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 8 Li 0.83333333333333 0.66666666666667 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 2 14 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 2 15 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 2 16 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 2 17 Li 0.16666666666667 0.33333333333333 0.50000000000000 6.941 > 2 18 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 2 19 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 2 20 Li 0.66666666666667 0.83333333333333 0.50000000000000 6.941 > 2 21 Li 0.16666666666667 0.33333333333333 0.83333333333333 6.941 > 2 22 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 2 23 Li 0.16666666666667 0.83333333333333 0.83333333333333 6.941 > 2 24 Li 0.66666666666667 0.83333333333333 0.83333333333333 6.941 > 2 *25 F 0.33523809476938 0.33523809476938 0.08551568701017 18.998 > 3 26 F 0.83523809476938 0.33523809476938 0.08551568701017 18.998 > 3 27 F 0.33523809476938 0.83523809476938 0.08551568701017 18.998 > 3 28 F 0.83523809476938 0.83523809476938 0.08551568701017 18.998 > 3 29 F 0.33523809476938 0.33523809476938 0.41884902034350 18.998 > 3 30 F 0.83523809476938 0.33523809476938 0.41884902034350 18.998 > 3 31 F 0.33523809476938 0.83523809476938 0.41884902034350 18.998 > 3 32 F 0.83523809476938 0.83523809476938 0.41884902034350 18.998 > 3 33 F 0.33523809476938 0.33523809476938 0.75218235367683 18.998 > 3 34 F 0.83523809476938 0.33523809476938 0.75218235367683 18.998 > 3 35 F 0.33523809476938 0.83523809476938 0.75218235367683 18.998 > 3 36 F 0.83523809476938 0.83523809476938 0.75218235367683 18.998 > 3 37 F 0.16476190523062 0.00000000000000 0.08551568701017 18.998 > 4 38 F 0.66476190523062 0.00000000000000 0.08551568701017 18.998 > 4 39 F 0.16476190523062 0.50000000000000 0.08551568701017 18.998 > 4 40 F 0.66476190523062 0.50000000000000 0.08551568701017 18.998 > 4 41 F 0.16476190523062 0.00000000000000 0.41884902034350 18.998 > 4 42 F 0.66476190523062 0.00000000000000 0.41884902034350 18.998 > 4 43 F 0.16476190523062 0.50000000000000 0.41884902034350 18.998 > 4 44 F 0.66476190523062 0.50000000000000 0.41884902034350 18.998 > 4 45 F 0.16476190523062 0.00000000000000 0.75218235367683 18.998 > 4 46 F 0.66476190523062 0.00000000000000 0.75218235367683 18.998 > 4 47 F 0.16476190523062 0.50000000000000 0.75218235367683 18.998 > 4 48 F 0.66476190523062 0.50000000000000 0.75218235367683 18.998 > 4 49 F 0.16476190523062 0.16476190523062 0.24781764632317 18.998 > 5 50 F 0.66476190523062 0.16476190523062 0.24781764632317 18.998 > 5 51 F 0.16476190523062 0.66476190523062 0.24781764632317 18.998 > 5 52 F 0.66476190523062 0.66476190523062 0.24781764632317 18.998 > 5 53 F 0.16476190523062 0.16476190523062 0.58115097965650 18.998 > 5 54 F 0.66476190523062 0.16476190523062 0.58115097965650 18.998 > 5 55 F 0.16476190523062 0.66476190523062 0.58115097965650 18.998 > 5 56 F 0.66476190523062 0.66476190523062 0.58115097965650 18.998 > 5 57 F 0.16476190523062 0.16476190523062 0.91448431298983 18.998 > 5 58 F 0.66476190523062 0.16476190523062 0.91448431298983 18.998 > 5 59 F 0.16476190523062 0.66476190523062 0.91448431298983 18.998 > 5 60 F 0.66476190523062 0.66476190523062 0.91448431298983 18.998 > 5 61 F 0.00000000000000 0.33523809476938 0.24781764632317 18.998 > 6 62 F 0.50000000000000 0.33523809476938 0.24781764632317 18.998 > 6 63 F 0.00000000000000 0.83523809476938 0.24781764632317 18.998 > 6 64 F 0.50000000000000 0.83523809476938 0.24781764632317 18.998 > 6 65 F 0.00000000000000 0.33523809476938 0.58115097965650 18.998 > 6 66 F 0.50000000000000 0.33523809476938 0.58115097965650 18.998 > 6 67 F 0.00000000000000 0.83523809476938 0.58115097965650 18.998 > 6 68 F 0.50000000000000 0.83523809476938 0.58115097965650 18.998 > 6 69 F 0.00000000000000 0.33523809476938 0.91448431298983 18.998 > 6 70 F 0.50000000000000 0.33523809476938 0.91448431298983 18.998 > 6 71 F 0.00000000000000 0.83523809476938 0.91448431298983 18.998 > 6 72 F 0.50000000000000 0.83523809476938 0.91448431298983 18.998 > 6 73 F 0.33523809476938 0.00000000000000 0.24781764632317 18.998 > 7 74 F 0.83523809476938 0.00000000000000 0.24781764632317 18.998 > 7 75 F 0.33523809476938 0.50000000000000 0.24781764632317 18.998 > 7 76 F 0.83523809476938 0.50000000000000 0.24781764632317 18.998 > 7 77 F 0.33523809476938 0.00000000000000 0.58115097965650 18.998 > 7 78 F 0.83523809476938 0.00000000000000 0.58115097965650 18.998 > 7 79 F 0.33523809476938 0.50000000000000 0.58115097965650 18.998 > 7 80 F 0.83523809476938 0.50000000000000 0.58115097965650 18.998 > 7 81 F 0.33523809476938 0.00000000000000 0.91448431298983 18.998 > 7 82 F 0.83523809476938 0.00000000000000 0.91448431298983 18.998 > 7 83 F 0.33523809476938 0.50000000000000 0.91448431298983 18.998 > 7 84 F 0.83523809476938 0.50000000000000 0.91448431298983 18.998 > 7 85 F 0.00000000000000 0.16476190523062 0.08551568701017 18.998 > 8 86 F 0.50000000000000 0.16476190523062 0.08551568701017 18.998 > 8 87 F 0.00000000000000 0.66476190523062 0.08551568701017 18.998 > 8 88 F 0.50000000000000 0.66476190523062 0.08551568701017 18.998 > 8 89 F 0.00000000000000 0.16476190523062 0.41884902034350 18.998 > 8 90 F 0.50000000000000 0.16476190523062 0.41884902034350 18.998 > 8 91 F 0.00000000000000 0.66476190523062 0.41884902034350 18.998 > 8 92 F 0.50000000000000 0.66476190523062 0.41884902034350 18.998 > 8 93 F 0.00000000000000 0.16476190523062 0.75218235367683 18.998 > 8 94 F 0.50000000000000 0.16476190523062 0.75218235367683 18.998 > 8 95 F 0.00000000000000 0.66476190523062 0.75218235367683 18.998 > 8 96 F 0.50000000000000 0.66476190523062 0.75218235367683 18.998 > 8 *97 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 9 98 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 9 99 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 9 100 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 9 101 Zr 0.00000000000000 0.00000000000000 0.33333333333333 91.224 > 9 102 Zr 0.50000000000000 0.00000000000000 0.33333333333333 91.224 > 9 103 Zr 0.00000000000000 0.50000000000000 0.33333333333333 91.224 > 9 104 Zr 0.50000000000000 0.50000000000000 0.33333333333333 91.224 > 9 105 Zr 0.00000000000000 0.00000000000000 0.66666666666667 91.224 > 9 106 Zr 0.50000000000000 0.00000000000000 0.66666666666667 91.224 > 9 107 Zr 0.00000000000000 0.50000000000000 0.66666666666667 91.224 > 9 108 Zr 0.50000000000000 0.50000000000000 0.66666666666667 91.224 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3671869 -0.0000000 0.0000000 0.0000000 2.3671869 0.0000000 0.0000000 0.0000000 2.3992655 -------------------------- Born effective charges -------------------------- 1 Li 1.1709925 -0.0000000 0.0000000 -0.0000000 1.1709925 0.0000000 0.0000000 0.0000000 1.2692875 2 Li 1.1709925 -0.0000000 0.0000000 -0.0000000 1.1709925 0.0000000 0.0000000 0.0000000 1.2692875 3 F -0.9600981 -0.3200678 0.3010364 -0.3200678 -1.3296806 0.5214104 0.2919186 0.5056178 -1.1850173 4 F -1.5144718 0.0000000 -0.6020729 -0.0000000 -0.7753068 0.0000000 -0.5838371 0.0000000 -1.1850173 5 F -0.9600981 -0.3200678 0.3010364 -0.3200678 -1.3296806 0.5214104 0.2919186 0.5056178 -1.1850173 6 F -0.9600981 0.3200678 0.3010364 0.3200678 -1.3296806 -0.5214104 0.2919186 -0.5056178 -1.1850173 7 F -1.5144718 0.0000000 -0.6020729 -0.0000000 -0.7753068 0.0000000 -0.5838371 0.0000000 -1.1850173 8 F -0.9600981 0.3200678 0.3010364 0.3200678 -1.3296806 -0.5214104 0.2919186 -0.5056178 -1.1850173 9 Zr 4.5273510 -0.0000000 0.0000000 -0.0000000 4.5273510 0.0000000 0.0000000 0.0000000 4.5715287 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 420 Number of blocks in projector: 231 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (420, 411), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (68, 65), data: True |-- (156, 154), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.312 Solver_block: 160 / 160 - Time: 0.211 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.537 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 420 Number of blocks in projector: 231 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (420, 411), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (68, 65), data: True |-- (156, 154), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:57:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:57]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.958672412936582 0.000000000000000 0.000000000000000 b -2.479336206468291 4.294336278648160 0.000000000000000 c 0.000000000000000 0.000000000000000 4.632444810000000 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 2 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 3 F 0.67047618953876 0.67047618953876 0.25654706103050 18.998 4 F 0.32952381046124 0.00000000000000 0.25654706103050 18.998 5 F 0.32952381046124 0.32952381046124 0.74345293896950 18.998 6 F 0.00000000000000 0.67047618953876 0.74345293896950 18.998 7 F 0.67047618953876 0.00000000000000 0.74345293896950 18.998 8 F 0.00000000000000 0.32952381046124 0.25654706103050 18.998 9 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.917344825873164 0.000000000000000 0.000000000000000 b -4.958672412936582 8.588672557296320 0.000000000000000 c 0.000000000000000 0.000000000000000 13.897334430000001 Atomic positions (fractional): 1 Li 0.33333333333333 0.16666666666667 0.16666666666667 6.941 > 1 2 Li 0.83333333333333 0.16666666666667 0.16666666666667 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 4 Li 0.83333333333333 0.66666666666667 0.16666666666667 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.50000000000000 6.941 > 1 6 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 1 7 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 8 Li 0.83333333333333 0.66666666666667 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 13 15 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 13 16 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.50000000000000 6.941 > 13 18 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 13 19 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 13 20 Li 0.66666666666667 0.83333333333333 0.50000000000000 6.941 > 13 21 Li 0.16666666666667 0.33333333333333 0.83333333333333 6.941 > 13 22 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 13 23 Li 0.16666666666667 0.83333333333333 0.83333333333333 6.941 > 13 24 Li 0.66666666666667 0.83333333333333 0.83333333333333 6.941 > 13 25 F 0.33523809476938 0.33523809476938 0.08551568701017 18.998 > 25 26 F 0.83523809476938 0.33523809476938 0.08551568701017 18.998 > 25 27 F 0.33523809476938 0.83523809476938 0.08551568701017 18.998 > 25 28 F 0.83523809476938 0.83523809476938 0.08551568701017 18.998 > 25 29 F 0.33523809476938 0.33523809476938 0.41884902034350 18.998 > 25 30 F 0.83523809476938 0.33523809476938 0.41884902034350 18.998 > 25 31 F 0.33523809476938 0.83523809476938 0.41884902034350 18.998 > 25 32 F 0.83523809476938 0.83523809476938 0.41884902034350 18.998 > 25 33 F 0.33523809476938 0.33523809476938 0.75218235367683 18.998 > 25 34 F 0.83523809476938 0.33523809476938 0.75218235367683 18.998 > 25 35 F 0.33523809476938 0.83523809476938 0.75218235367683 18.998 > 25 36 F 0.83523809476938 0.83523809476938 0.75218235367683 18.998 > 25 37 F 0.16476190523062 0.00000000000000 0.08551568701017 18.998 > 37 38 F 0.66476190523062 0.00000000000000 0.08551568701017 18.998 > 37 39 F 0.16476190523062 0.50000000000000 0.08551568701017 18.998 > 37 40 F 0.66476190523062 0.50000000000000 0.08551568701017 18.998 > 37 41 F 0.16476190523062 0.00000000000000 0.41884902034350 18.998 > 37 42 F 0.66476190523062 0.00000000000000 0.41884902034350 18.998 > 37 43 F 0.16476190523062 0.50000000000000 0.41884902034350 18.998 > 37 44 F 0.66476190523062 0.50000000000000 0.41884902034350 18.998 > 37 45 F 0.16476190523062 0.00000000000000 0.75218235367683 18.998 > 37 46 F 0.66476190523062 0.00000000000000 0.75218235367683 18.998 > 37 47 F 0.16476190523062 0.50000000000000 0.75218235367683 18.998 > 37 48 F 0.66476190523062 0.50000000000000 0.75218235367683 18.998 > 37 49 F 0.16476190523062 0.16476190523062 0.24781764632317 18.998 > 49 50 F 0.66476190523062 0.16476190523062 0.24781764632317 18.998 > 49 51 F 0.16476190523062 0.66476190523062 0.24781764632317 18.998 > 49 52 F 0.66476190523062 0.66476190523062 0.24781764632317 18.998 > 49 53 F 0.16476190523062 0.16476190523062 0.58115097965650 18.998 > 49 54 F 0.66476190523062 0.16476190523062 0.58115097965650 18.998 > 49 55 F 0.16476190523062 0.66476190523062 0.58115097965650 18.998 > 49 56 F 0.66476190523062 0.66476190523062 0.58115097965650 18.998 > 49 57 F 0.16476190523062 0.16476190523062 0.91448431298983 18.998 > 49 58 F 0.66476190523062 0.16476190523062 0.91448431298983 18.998 > 49 59 F 0.16476190523062 0.66476190523062 0.91448431298983 18.998 > 49 60 F 0.66476190523062 0.66476190523062 0.91448431298983 18.998 > 49 61 F 0.00000000000000 0.33523809476938 0.24781764632317 18.998 > 61 62 F 0.50000000000000 0.33523809476938 0.24781764632317 18.998 > 61 63 F 0.00000000000000 0.83523809476938 0.24781764632317 18.998 > 61 64 F 0.50000000000000 0.83523809476938 0.24781764632317 18.998 > 61 65 F 0.00000000000000 0.33523809476938 0.58115097965650 18.998 > 61 66 F 0.50000000000000 0.33523809476938 0.58115097965650 18.998 > 61 67 F 0.00000000000000 0.83523809476938 0.58115097965650 18.998 > 61 68 F 0.50000000000000 0.83523809476938 0.58115097965650 18.998 > 61 69 F 0.00000000000000 0.33523809476938 0.91448431298983 18.998 > 61 70 F 0.50000000000000 0.33523809476938 0.91448431298983 18.998 > 61 71 F 0.00000000000000 0.83523809476938 0.91448431298983 18.998 > 61 72 F 0.50000000000000 0.83523809476938 0.91448431298983 18.998 > 61 73 F 0.33523809476938 0.00000000000000 0.24781764632317 18.998 > 73 74 F 0.83523809476938 0.00000000000000 0.24781764632317 18.998 > 73 75 F 0.33523809476938 0.50000000000000 0.24781764632317 18.998 > 73 76 F 0.83523809476938 0.50000000000000 0.24781764632317 18.998 > 73 77 F 0.33523809476938 0.00000000000000 0.58115097965650 18.998 > 73 78 F 0.83523809476938 0.00000000000000 0.58115097965650 18.998 > 73 79 F 0.33523809476938 0.50000000000000 0.58115097965650 18.998 > 73 80 F 0.83523809476938 0.50000000000000 0.58115097965650 18.998 > 73 81 F 0.33523809476938 0.00000000000000 0.91448431298983 18.998 > 73 82 F 0.83523809476938 0.00000000000000 0.91448431298983 18.998 > 73 83 F 0.33523809476938 0.50000000000000 0.91448431298983 18.998 > 73 84 F 0.83523809476938 0.50000000000000 0.91448431298983 18.998 > 73 85 F 0.00000000000000 0.16476190523062 0.08551568701017 18.998 > 85 86 F 0.50000000000000 0.16476190523062 0.08551568701017 18.998 > 85 87 F 0.00000000000000 0.66476190523062 0.08551568701017 18.998 > 85 88 F 0.50000000000000 0.66476190523062 0.08551568701017 18.998 > 85 89 F 0.00000000000000 0.16476190523062 0.41884902034350 18.998 > 85 90 F 0.50000000000000 0.16476190523062 0.41884902034350 18.998 > 85 91 F 0.00000000000000 0.66476190523062 0.41884902034350 18.998 > 85 92 F 0.50000000000000 0.66476190523062 0.41884902034350 18.998 > 85 93 F 0.00000000000000 0.16476190523062 0.75218235367683 18.998 > 85 94 F 0.50000000000000 0.16476190523062 0.75218235367683 18.998 > 85 95 F 0.00000000000000 0.66476190523062 0.75218235367683 18.998 > 85 96 F 0.50000000000000 0.66476190523062 0.75218235367683 18.998 > 85 97 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 97 98 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 97 99 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 97 100 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 97 101 Zr 0.00000000000000 0.00000000000000 0.33333333333333 91.224 > 97 102 Zr 0.50000000000000 0.00000000000000 0.33333333333333 91.224 > 97 103 Zr 0.00000000000000 0.50000000000000 0.33333333333333 91.224 > 97 104 Zr 0.50000000000000 0.50000000000000 0.33333333333333 91.224 > 97 105 Zr 0.00000000000000 0.00000000000000 0.66666666666667 91.224 > 97 106 Zr 0.50000000000000 0.00000000000000 0.66666666666667 91.224 > 97 107 Zr 0.00000000000000 0.50000000000000 0.66666666666667 91.224 > 97 108 Zr 0.50000000000000 0.50000000000000 0.66666666666667 91.224 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3671869 -0.0000000 0.0000000 0.0000000 2.3671869 0.0000000 0.0000000 0.0000000 2.3992655 -------------------------- Born effective charges -------------------------- 1 Li 1.1709925 -0.0000000 0.0000000 -0.0000000 1.1709925 0.0000000 0.0000000 0.0000000 1.2692875 2 Li 1.1709925 -0.0000000 0.0000000 -0.0000000 1.1709925 0.0000000 0.0000000 0.0000000 1.2692875 3 F -0.9600981 -0.3200678 0.3010364 -0.3200678 -1.3296806 0.5214104 0.2919186 0.5056178 -1.1850173 4 F -1.5144718 0.0000000 -0.6020729 -0.0000000 -0.7753068 0.0000000 -0.5838371 0.0000000 -1.1850173 5 F -0.9600981 -0.3200678 0.3010364 -0.3200678 -1.3296806 0.5214104 0.2919186 0.5056178 -1.1850173 6 F -0.9600981 0.3200678 0.3010364 0.3200678 -1.3296806 -0.5214104 0.2919186 -0.5056178 -1.1850173 7 F -1.5144718 0.0000000 -0.6020729 -0.0000000 -0.7753068 0.0000000 -0.5838371 0.0000000 -1.1850173 8 F -0.9600981 0.3200678 0.3010364 0.3200678 -1.3296806 -0.5214104 0.2919186 -0.5056178 -1.1850173 9 Zr 4.5273510 -0.0000000 0.0000000 -0.0000000 4.5273510 0.0000000 0.0000000 0.0000000 4.5715287 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:58:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:58:03]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.958672412936582 0.000000000000000 0.000000000000000 b -2.479336206468291 4.294336278648160 0.000000000000000 c 0.000000000000000 0.000000000000000 4.632444810000000 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 2 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 3 F 0.67047618953876 0.67047618953876 0.25654706103050 18.998 4 F 0.32952381046124 0.00000000000000 0.25654706103050 18.998 5 F 0.32952381046124 0.32952381046124 0.74345293896950 18.998 6 F 0.00000000000000 0.67047618953876 0.74345293896950 18.998 7 F 0.67047618953876 0.00000000000000 0.74345293896950 18.998 8 F 0.00000000000000 0.32952381046124 0.25654706103050 18.998 9 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.917344825873164 0.000000000000000 0.000000000000000 b -4.958672412936582 8.588672557296320 0.000000000000000 c 0.000000000000000 0.000000000000000 13.897334430000001 Atomic positions (fractional): 1 Li 0.33333333333333 0.16666666666667 0.16666666666667 6.941 > 1 2 Li 0.83333333333333 0.16666666666667 0.16666666666667 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 4 Li 0.83333333333333 0.66666666666667 0.16666666666667 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.50000000000000 6.941 > 1 6 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 1 7 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 8 Li 0.83333333333333 0.66666666666667 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 13 15 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 13 16 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.50000000000000 6.941 > 13 18 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 13 19 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 13 20 Li 0.66666666666667 0.83333333333333 0.50000000000000 6.941 > 13 21 Li 0.16666666666667 0.33333333333333 0.83333333333333 6.941 > 13 22 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 13 23 Li 0.16666666666667 0.83333333333333 0.83333333333333 6.941 > 13 24 Li 0.66666666666667 0.83333333333333 0.83333333333333 6.941 > 13 25 F 0.33523809476938 0.33523809476938 0.08551568701017 18.998 > 25 26 F 0.83523809476938 0.33523809476938 0.08551568701017 18.998 > 25 27 F 0.33523809476938 0.83523809476938 0.08551568701017 18.998 > 25 28 F 0.83523809476938 0.83523809476938 0.08551568701017 18.998 > 25 29 F 0.33523809476938 0.33523809476938 0.41884902034350 18.998 > 25 30 F 0.83523809476938 0.33523809476938 0.41884902034350 18.998 > 25 31 F 0.33523809476938 0.83523809476938 0.41884902034350 18.998 > 25 32 F 0.83523809476938 0.83523809476938 0.41884902034350 18.998 > 25 33 F 0.33523809476938 0.33523809476938 0.75218235367683 18.998 > 25 34 F 0.83523809476938 0.33523809476938 0.75218235367683 18.998 > 25 35 F 0.33523809476938 0.83523809476938 0.75218235367683 18.998 > 25 36 F 0.83523809476938 0.83523809476938 0.75218235367683 18.998 > 25 37 F 0.16476190523062 0.00000000000000 0.08551568701017 18.998 > 37 38 F 0.66476190523062 0.00000000000000 0.08551568701017 18.998 > 37 39 F 0.16476190523062 0.50000000000000 0.08551568701017 18.998 > 37 40 F 0.66476190523062 0.50000000000000 0.08551568701017 18.998 > 37 41 F 0.16476190523062 0.00000000000000 0.41884902034350 18.998 > 37 42 F 0.66476190523062 0.00000000000000 0.41884902034350 18.998 > 37 43 F 0.16476190523062 0.50000000000000 0.41884902034350 18.998 > 37 44 F 0.66476190523062 0.50000000000000 0.41884902034350 18.998 > 37 45 F 0.16476190523062 0.00000000000000 0.75218235367683 18.998 > 37 46 F 0.66476190523062 0.00000000000000 0.75218235367683 18.998 > 37 47 F 0.16476190523062 0.50000000000000 0.75218235367683 18.998 > 37 48 F 0.66476190523062 0.50000000000000 0.75218235367683 18.998 > 37 49 F 0.16476190523062 0.16476190523062 0.24781764632317 18.998 > 49 50 F 0.66476190523062 0.16476190523062 0.24781764632317 18.998 > 49 51 F 0.16476190523062 0.66476190523062 0.24781764632317 18.998 > 49 52 F 0.66476190523062 0.66476190523062 0.24781764632317 18.998 > 49 53 F 0.16476190523062 0.16476190523062 0.58115097965650 18.998 > 49 54 F 0.66476190523062 0.16476190523062 0.58115097965650 18.998 > 49 55 F 0.16476190523062 0.66476190523062 0.58115097965650 18.998 > 49 56 F 0.66476190523062 0.66476190523062 0.58115097965650 18.998 > 49 57 F 0.16476190523062 0.16476190523062 0.91448431298983 18.998 > 49 58 F 0.66476190523062 0.16476190523062 0.91448431298983 18.998 > 49 59 F 0.16476190523062 0.66476190523062 0.91448431298983 18.998 > 49 60 F 0.66476190523062 0.66476190523062 0.91448431298983 18.998 > 49 61 F 0.00000000000000 0.33523809476938 0.24781764632317 18.998 > 61 62 F 0.50000000000000 0.33523809476938 0.24781764632317 18.998 > 61 63 F 0.00000000000000 0.83523809476938 0.24781764632317 18.998 > 61 64 F 0.50000000000000 0.83523809476938 0.24781764632317 18.998 > 61 65 F 0.00000000000000 0.33523809476938 0.58115097965650 18.998 > 61 66 F 0.50000000000000 0.33523809476938 0.58115097965650 18.998 > 61 67 F 0.00000000000000 0.83523809476938 0.58115097965650 18.998 > 61 68 F 0.50000000000000 0.83523809476938 0.58115097965650 18.998 > 61 69 F 0.00000000000000 0.33523809476938 0.91448431298983 18.998 > 61 70 F 0.50000000000000 0.33523809476938 0.91448431298983 18.998 > 61 71 F 0.00000000000000 0.83523809476938 0.91448431298983 18.998 > 61 72 F 0.50000000000000 0.83523809476938 0.91448431298983 18.998 > 61 73 F 0.33523809476938 0.00000000000000 0.24781764632317 18.998 > 73 74 F 0.83523809476938 0.00000000000000 0.24781764632317 18.998 > 73 75 F 0.33523809476938 0.50000000000000 0.24781764632317 18.998 > 73 76 F 0.83523809476938 0.50000000000000 0.24781764632317 18.998 > 73 77 F 0.33523809476938 0.00000000000000 0.58115097965650 18.998 > 73 78 F 0.83523809476938 0.00000000000000 0.58115097965650 18.998 > 73 79 F 0.33523809476938 0.50000000000000 0.58115097965650 18.998 > 73 80 F 0.83523809476938 0.50000000000000 0.58115097965650 18.998 > 73 81 F 0.33523809476938 0.00000000000000 0.91448431298983 18.998 > 73 82 F 0.83523809476938 0.00000000000000 0.91448431298983 18.998 > 73 83 F 0.33523809476938 0.50000000000000 0.91448431298983 18.998 > 73 84 F 0.83523809476938 0.50000000000000 0.91448431298983 18.998 > 73 85 F 0.00000000000000 0.16476190523062 0.08551568701017 18.998 > 85 86 F 0.50000000000000 0.16476190523062 0.08551568701017 18.998 > 85 87 F 0.00000000000000 0.66476190523062 0.08551568701017 18.998 > 85 88 F 0.50000000000000 0.66476190523062 0.08551568701017 18.998 > 85 89 F 0.00000000000000 0.16476190523062 0.41884902034350 18.998 > 85 90 F 0.50000000000000 0.16476190523062 0.41884902034350 18.998 > 85 91 F 0.00000000000000 0.66476190523062 0.41884902034350 18.998 > 85 92 F 0.50000000000000 0.66476190523062 0.41884902034350 18.998 > 85 93 F 0.00000000000000 0.16476190523062 0.75218235367683 18.998 > 85 94 F 0.50000000000000 0.16476190523062 0.75218235367683 18.998 > 85 95 F 0.00000000000000 0.66476190523062 0.75218235367683 18.998 > 85 96 F 0.50000000000000 0.66476190523062 0.75218235367683 18.998 > 85 97 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 97 98 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 97 99 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 97 100 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 97 101 Zr 0.00000000000000 0.00000000000000 0.33333333333333 91.224 > 97 102 Zr 0.50000000000000 0.00000000000000 0.33333333333333 91.224 > 97 103 Zr 0.00000000000000 0.50000000000000 0.33333333333333 91.224 > 97 104 Zr 0.50000000000000 0.50000000000000 0.33333333333333 91.224 > 97 105 Zr 0.00000000000000 0.00000000000000 0.66666666666667 91.224 > 97 106 Zr 0.50000000000000 0.00000000000000 0.66666666666667 91.224 > 97 107 Zr 0.00000000000000 0.50000000000000 0.66666666666667 91.224 > 97 108 Zr 0.50000000000000 0.50000000000000 0.66666666666667 91.224 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3671869 -0.0000000 0.0000000 0.0000000 2.3671869 0.0000000 0.0000000 0.0000000 2.3992655 -------------------------- Born effective charges -------------------------- 1 Li 1.1709925 -0.0000000 0.0000000 -0.0000000 1.1709925 0.0000000 0.0000000 0.0000000 1.2692875 2 Li 1.1709925 -0.0000000 0.0000000 -0.0000000 1.1709925 0.0000000 0.0000000 0.0000000 1.2692875 3 F -0.9600981 -0.3200678 0.3010364 -0.3200678 -1.3296806 0.5214104 0.2919186 0.5056178 -1.1850173 4 F -1.5144718 0.0000000 -0.6020729 -0.0000000 -0.7753068 0.0000000 -0.5838371 0.0000000 -1.1850173 5 F -0.9600981 -0.3200678 0.3010364 -0.3200678 -1.3296806 0.5214104 0.2919186 0.5056178 -1.1850173 6 F -0.9600981 0.3200678 0.3010364 0.3200678 -1.3296806 -0.5214104 0.2919186 -0.5056178 -1.1850173 7 F -1.5144718 0.0000000 -0.6020729 -0.0000000 -0.7753068 0.0000000 -0.5838371 0.0000000 -1.1850173 8 F -0.9600981 0.3200678 0.3010364 0.3200678 -1.3296806 -0.5214104 0.2919186 -0.5056178 -1.1850173 9 Zr 4.5273510 -0.0000000 0.0000000 -0.0000000 4.5273510 0.0000000 0.0000000 0.0000000 4.5715287 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 315, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/174) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 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 4.828 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 11.580 ( 0.000 0.000 0.000) 0.000 11.580 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.817 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/174) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 24.401 14.088 0.000) 28.176 0.727 ( 32.060 18.510 0.000) 37.020 1.033 ( 45.081 26.027 0.000) 52.055 4.777 ( -6.562 -3.788 0.000) 7.577 4.844 ( 0.582 0.336 0.000) 0.672 4.862 ( -1.587 -0.916 0.000) 1.833 5.255 ( 7.921 4.573 0.000) 9.147 5.804 ( 6.384 3.686 0.000) 7.371 5.831 ( -8.679 -5.011 0.000) 10.022 6.915 ( -8.165 -4.714 0.000) 9.428 6.938 ( 0.746 0.431 0.000) 0.861 7.138 ( -11.813 -6.820 0.000) 13.640 7.268 ( -1.824 -1.053 0.000) 2.106 7.940 ( 5.399 3.117 0.000) 6.234 8.491 ( 2.604 1.503 0.000) 3.007 8.702 ( -0.329 -0.190 0.000) 0.380 9.437 ( -1.832 -1.057 0.000) 2.115 10.112 ( -0.884 -0.510 0.000) 1.020 11.218 ( -17.014 -9.823 0.000) 19.646 11.596 ( 1.264 0.730 0.000) 1.460 11.941 ( 13.614 7.860 0.000) 15.720 13.571 ( -4.287 -2.475 0.000) 4.950 14.394 ( 5.458 3.151 0.000) 6.302 14.421 ( 6.332 3.656 0.000) 7.312 14.787 ( -1.814 -1.047 0.000) 2.095 17.254 ( 0.052 0.030 0.000) 0.060 18.603 ( -3.414 -1.971 0.000) 3.942 ======================= Grid point 2 (3/174) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 24.119 13.925 0.000) 27.850 1.427 ( 30.228 17.452 0.000) 34.904 1.995 ( 40.224 23.224 0.000) 46.447 4.612 ( -7.688 -4.439 0.000) 8.878 4.829 ( -1.026 -0.592 0.000) 1.184 4.871 ( 1.565 0.904 0.000) 1.807 5.449 ( 8.565 4.945 0.000) 9.890 5.564 ( -14.187 -8.191 0.000) 16.382 5.973 ( 7.214 4.165 0.000) 8.330 6.673 ( -12.498 -7.215 0.000) 14.431 6.837 ( -13.345 -7.705 0.000) 15.410 6.955 ( 0.480 0.277 0.000) 0.554 7.217 ( -2.468 -1.425 0.000) 2.850 8.044 ( 3.150 1.819 0.000) 3.638 8.571 ( 4.411 2.547 0.000) 5.094 8.685 ( -1.249 -0.721 0.000) 1.442 9.384 ( -2.673 -1.543 0.000) 3.086 10.082 ( -1.853 -1.070 0.000) 2.140 10.851 ( -15.476 -8.935 0.000) 17.871 11.624 ( 0.999 0.577 0.000) 1.154 12.198 ( 9.161 5.289 0.000) 10.578 13.471 ( -4.153 -2.398 0.000) 4.796 14.475 ( -3.950 -2.281 0.000) 4.561 14.571 ( 10.093 5.827 0.000) 11.654 14.841 ( 8.529 4.924 0.000) 9.848 17.258 ( 0.426 0.246 0.000) 0.491 18.491 ( -6.555 -3.785 0.000) 7.569 ======================= Grid point 3 (4/174) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 23.149 13.365 0.000) 26.730 2.069 ( 26.795 15.470 0.000) 30.940 2.802 ( 30.898 17.839 0.000) 35.679 4.437 ( -7.994 -4.615 0.000) 9.230 4.824 ( 0.698 0.403 0.000) 0.806 4.909 ( 1.701 0.982 0.000) 1.964 5.188 ( -17.480 -10.092 0.000) 20.184 5.660 ( 8.853 5.111 0.000) 10.222 6.016 ( -5.621 -3.245 0.000) 6.490 6.412 ( -10.427 -6.020 0.000) 12.040 6.645 ( -0.572 -0.330 0.000) 0.660 6.950 ( -0.939 -0.542 0.000) 1.085 7.171 ( -1.508 -0.870 0.000) 1.741 8.055 ( -2.576 -1.487 0.000) 2.975 8.652 ( -1.440 -0.831 0.000) 1.662 8.685 ( 5.702 3.292 0.000) 6.584 9.325 ( -2.400 -1.386 0.000) 2.772 10.024 ( -3.421 -1.975 0.000) 3.950 10.538 ( -12.213 -7.051 0.000) 14.102 11.633 ( -0.277 -0.160 0.000) 0.320 12.353 ( 4.828 2.788 0.000) 5.575 13.398 ( -2.247 -1.297 0.000) 2.595 14.305 ( -9.658 -5.576 0.000) 11.153 14.828 ( 12.328 7.118 0.000) 14.235 15.095 ( 12.405 7.162 0.000) 14.324 17.278 ( 1.435 0.828 0.000) 1.657 18.314 ( -9.060 -5.231 0.000) 10.462 ======================= Grid point 4 (5/174) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 20.487 11.828 0.000) 23.656 2.615 ( 21.544 12.439 0.000) 24.877 3.341 ( 16.643 9.609 0.000) 19.218 4.254 ( -8.265 -4.772 0.000) 9.544 4.778 ( -16.735 -9.662 0.000) 19.324 4.860 ( 2.340 1.351 0.000) 2.703 4.965 ( 1.326 0.765 0.000) 1.531 5.815 ( -9.115 -5.263 0.000) 10.526 5.843 ( 7.324 4.229 0.000) 8.457 6.197 ( -7.925 -4.576 0.000) 9.151 6.788 ( 10.351 5.976 0.000) 11.953 6.924 ( -1.157 -0.668 0.000) 1.336 7.141 ( -1.339 -0.773 0.000) 1.546 7.924 ( -8.963 -5.175 0.000) 10.350 8.627 ( -0.751 -0.434 0.000) 0.867 8.827 ( 6.973 4.026 0.000) 8.052 9.278 ( -1.829 -1.056 0.000) 2.111 9.927 ( -5.199 -3.002 0.000) 6.004 10.311 ( -7.955 -4.593 0.000) 9.186 11.615 ( -1.220 -0.704 0.000) 1.409 12.425 ( 1.903 1.099 0.000) 2.197 13.373 ( 0.033 0.019 0.000) 0.038 14.080 ( -9.877 -5.703 0.000) 11.405 15.097 ( 11.086 6.401 0.000) 12.801 15.356 ( 10.301 5.947 0.000) 11.894 17.329 ( 3.293 1.901 0.000) 3.803 18.093 ( -10.450 -6.033 0.000) 12.067 ======================= Grid point 5 (6/174) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 13.752 7.939 0.000) 15.879 3.019 ( 13.966 8.063 0.000) 16.126 3.560 ( 4.114 2.375 0.000) 4.750 4.076 ( -7.135 -4.119 0.000) 8.238 4.436 ( -12.412 -7.166 0.000) 14.332 4.917 ( 2.378 1.373 0.000) 2.746 4.999 ( 1.304 0.753 0.000) 1.505 5.659 ( -4.817 -2.781 0.000) 5.563 5.980 ( 4.574 2.641 0.000) 5.282 6.089 ( -1.767 -1.020 0.000) 2.040 6.901 ( -0.885 -0.511 0.000) 1.021 7.046 ( 12.228 7.060 0.000) 14.120 7.112 ( -1.090 -0.629 0.000) 1.259 7.674 ( -12.664 -7.312 0.000) 14.624 8.616 ( -0.295 -0.170 0.000) 0.341 8.990 ( 7.134 4.119 0.000) 8.238 9.237 ( -2.074 -1.198 0.000) 2.395 9.805 ( -5.041 -2.910 0.000) 5.821 10.181 ( -3.742 -2.161 0.000) 4.321 11.587 ( -1.059 -0.612 0.000) 1.223 12.449 ( 0.490 0.283 0.000) 0.566 13.394 ( 1.556 0.898 0.000) 1.796 13.884 ( -6.999 -4.041 0.000) 8.082 15.300 ( 6.554 3.784 0.000) 7.568 15.539 ( 5.739 3.313 0.000) 6.627 17.429 ( 5.573 3.217 0.000) 6.435 17.860 ( -9.969 -5.756 0.000) 11.511 ======================= Grid point 6 (7/174) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 235 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.437 ( -0.000 -0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 10.140 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 13.798 ( 0.000 0.000 0.000) 0.000 15.375 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 17.534 ( -0.000 -0.000 0.000) 0.000 17.704 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/174) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 14.670 25.409 6.167) 29.981 1.175 ( 16.997 29.439 11.090) 35.756 1.761 ( 24.371 42.212 -9.784) 49.715 4.631 ( -5.042 -8.733 -2.146) 10.310 4.806 ( -1.009 -1.747 7.426) 7.695 4.930 ( 1.909 3.306 -11.042) 11.683 5.380 ( 4.725 8.184 3.904) 10.224 5.646 ( -7.849 -13.595 -0.773) 15.717 5.942 ( 5.503 9.532 -5.250) 12.194 6.752 ( -6.545 -11.337 0.011) 13.090 6.844 ( -7.858 -13.610 12.776) 20.253 7.002 ( -0.842 -1.459 -8.443) 8.609 7.248 ( -1.139 -1.974 6.585) 6.968 8.020 ( 2.509 4.345 -0.314) 5.028 8.547 ( 2.369 4.103 -0.112) 4.739 8.689 ( -0.798 -1.383 0.036) 1.597 9.383 ( -2.386 -4.133 -0.802) 4.839 10.087 ( -1.149 -1.990 4.628) 5.167 11.011 ( -7.154 -12.391 -3.815) 14.808 11.553 ( -0.593 -1.027 -4.311) 4.472 12.163 ( 6.514 11.282 -0.409) 13.034 13.497 ( -2.656 -4.601 -6.717) 8.564 14.352 ( -0.990 -1.714 -10.944) 11.121 14.689 ( 9.058 15.689 9.077) 20.263 14.755 ( -0.236 -0.408 10.072) 10.083 17.256 ( 0.144 0.250 -0.360) 0.461 18.527 ( -3.365 -5.828 -0.114) 6.731 ======================= Grid point 15 (9/174) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 14.675 23.934 5.334) 28.577 1.791 ( 24.869 20.905 9.139) 33.750 2.552 ( 25.646 30.886 -7.414) 40.824 4.467 ( -4.321 -8.787 -2.195) 10.034 4.763 ( -0.677 -4.016 4.743) 6.251 4.996 ( -0.199 7.823 -10.204) 12.859 5.322 ( -12.866 -15.306 -0.867) 20.014 5.562 ( 7.665 5.853 4.274) 10.548 6.105 ( -0.553 8.074 -3.485) 8.812 6.517 ( -8.929 -8.184 1.909) 12.261 6.562 ( -2.856 -16.097 1.964) 16.466 7.000 ( -1.078 1.738 1.416) 2.488 7.199 ( -2.551 -0.783 7.787) 8.231 8.079 ( 0.215 1.715 -0.959) 1.977 8.639 ( 1.463 1.519 0.211) 2.119 8.651 ( 1.155 -0.293 -0.102) 1.196 9.293 ( -1.296 -7.203 -1.067) 7.396 10.035 ( -1.928 -3.489 4.584) 6.075 10.755 ( -13.659 -2.405 -3.441) 14.289 11.565 ( 3.802 -4.115 -4.010) 6.889 12.337 ( 3.464 7.193 -2.574) 8.389 13.413 ( -2.317 -3.421 -6.237) 7.482 14.277 ( -1.450 -11.409 -14.774) 18.722 14.791 ( 2.586 7.692 15.356) 17.368 15.032 ( 10.881 16.874 7.597) 21.467 17.267 ( 0.713 0.645 -0.872) 1.298 18.380 ( -6.257 -7.556 -0.120) 9.811 ======================= Grid point 16 (10/174) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 15.920 20.195 4.391) 26.087 2.378 ( 22.611 16.721 6.544) 28.873 3.168 ( 18.235 17.706 -4.783) 25.863 4.311 ( -5.084 -7.368 -1.866) 9.144 4.712 ( 1.624 -7.920 1.209) 8.175 4.934 ( -14.441 -14.986 -0.560) 20.820 5.080 ( -0.816 10.466 -8.980) 13.815 5.722 ( 5.602 0.032 6.035) 8.234 5.998 ( -10.945 2.170 -0.017) 11.158 6.286 ( -7.659 -7.166 5.648) 11.913 6.610 ( 11.948 1.194 -7.241) 14.022 6.991 ( -1.993 2.142 4.803) 5.624 7.155 ( -2.026 -0.566 8.624) 8.877 8.036 ( -6.676 -0.330 -1.947) 6.962 8.592 ( 0.553 -5.399 0.379) 5.440 8.767 ( 5.223 4.789 0.086) 7.087 9.210 ( 1.167 -9.536 -0.940) 9.653 9.950 ( -3.344 -5.183 3.617) 7.150 10.531 ( -13.847 4.635 -3.017) 14.910 11.579 ( 2.480 -4.205 -2.780) 5.618 12.426 ( 0.988 3.980 -4.740) 6.268 13.363 ( -0.208 -2.241 -4.899) 5.392 14.097 ( -4.566 -13.438 -12.238) 18.740 14.955 ( 8.484 4.681 13.881) 16.929 15.371 ( 7.554 20.142 5.514) 22.207 17.298 ( 2.092 1.162 -1.202) 2.678 18.177 ( -8.235 -8.925 -0.113) 12.145 ======================= Grid point 17 (11/174) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 13.682 16.025 4.040) 21.455 2.859 ( 16.971 12.958 3.868) 21.700 3.485 ( 7.320 4.056 -2.368) 8.697 4.150 ( -6.557 -5.463 -1.532) 8.671 4.544 ( -11.925 -13.495 -4.088) 18.467 4.690 ( 5.023 -12.323 1.264) 13.368 5.173 ( -1.992 12.853 -6.643) 14.605 5.665 ( -3.196 -8.882 4.378) 10.406 5.994 ( 0.566 9.442 1.815) 9.631 6.151 ( -4.665 1.005 7.269) 8.696 6.856 ( 12.290 4.664 -10.625) 16.903 6.985 ( -1.339 2.915 7.316) 7.988 7.117 ( -1.208 -0.980 10.369) 10.485 7.850 ( -13.274 -2.397 -2.476) 13.714 8.565 ( 2.573 -5.918 -0.250) 6.458 8.911 ( 6.622 3.924 0.611) 7.721 9.150 ( 3.162 -10.199 -0.494) 10.689 9.825 ( -4.274 -6.666 2.507) 8.306 10.385 ( -11.923 9.943 -2.667) 15.753 11.568 ( 1.035 -3.629 -1.944) 4.245 12.459 ( -0.294 2.168 -6.408) 6.771 13.364 ( 2.057 -0.928 -3.590) 4.240 13.891 ( -4.233 -12.547 -10.346) 16.805 15.130 ( 9.129 -0.533 12.926) 15.834 15.657 ( 1.721 21.524 3.330) 21.848 17.366 ( 4.553 1.720 -1.071) 4.983 17.941 ( -8.719 -9.636 -0.163) 12.996 ======================= Grid point 18 (12/174) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 4.497 9.794 4.299) 11.603 3.174 ( 6.833 8.006 0.818) 10.557 3.547 ( 2.229 -3.987 0.745) 4.628 4.007 ( -4.300 -2.702 -1.813) 5.392 4.283 ( -4.503 -8.079 -3.797) 9.998 4.675 ( 8.536 -15.208 -1.077) 17.473 5.245 ( -5.019 13.182 -5.389) 15.099 5.556 ( 0.553 -7.416 2.938) 7.996 6.082 ( -1.239 7.723 5.045) 9.308 6.127 ( -2.812 4.983 6.730) 8.833 6.981 ( -4.192 8.401 -1.748) 9.550 7.034 ( 3.923 -4.680 5.168) 8.000 7.181 ( 9.474 3.456 3.656) 10.727 7.583 ( -13.923 -1.555 -2.395) 14.213 8.557 ( 3.162 -5.746 -0.899) 6.620 9.043 ( 7.211 -2.847 1.061) 7.825 9.116 ( 1.651 -5.347 0.044) 5.596 9.705 ( -1.268 -6.205 1.574) 6.526 10.319 ( -9.625 13.417 -2.468) 16.695 11.552 ( 1.078 -2.923 -1.574) 3.491 12.467 ( -0.727 1.492 -7.283) 7.470 13.401 ( 2.165 -0.128 -2.193) 3.084 13.738 ( 0.283 -10.278 -10.191) 14.476 15.234 ( 6.273 -5.244 12.699) 15.104 15.825 ( -6.366 20.255 1.818) 21.310 17.484 ( 6.584 2.363 -0.468) 7.011 17.716 ( -6.181 -9.065 -0.464) 10.981 ======================= Grid point 27 (13/174) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 12.890 22.326 5.459) 26.351 2.247 ( 14.569 25.235 10.840) 31.090 3.099 ( 13.658 23.656 -7.335) 28.284 4.307 ( -4.286 -7.423 -2.683) 8.981 4.668 ( -3.395 -5.881 1.053) 6.872 4.982 ( -10.979 -19.016 -2.397) 22.088 5.143 ( 4.172 7.227 -10.577) 13.472 5.670 ( 2.128 3.686 7.678) 8.779 6.192 ( -1.098 -1.902 2.719) 3.495 6.238 ( -6.496 -11.251 3.086) 13.353 6.511 ( 4.015 6.954 -5.162) 9.545 7.005 ( -0.552 -0.956 6.295) 6.391 7.184 ( -0.447 -0.774 10.598) 10.636 8.100 ( -0.108 -0.187 -2.538) 2.547 8.551 ( -3.443 -5.964 0.816) 6.935 8.745 ( 3.250 5.629 0.061) 6.500 9.141 ( -4.437 -7.686 -1.705) 9.037 9.952 ( -2.977 -5.157 4.294) 7.341 10.706 ( -1.701 -2.946 -2.727) 4.360 11.512 ( -0.763 -1.321 -4.899) 5.131 12.444 ( 2.181 3.778 -6.543) 7.864 13.350 ( -1.580 -2.737 -7.989) 8.591 14.054 ( -6.685 -11.579 -14.529) 19.745 14.912 ( 3.520 6.096 16.927) 18.332 15.414 ( 11.937 20.676 8.986) 25.510 17.285 ( 0.752 1.302 -1.745) 2.304 18.202 ( -6.190 -10.721 -0.138) 12.380 ======================= Grid point 28 (14/174) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 11.979 19.374 5.026) 23.326 2.727 ( 15.898 18.986 9.205) 26.418 3.423 ( 6.364 7.616 -5.425) 11.311 4.177 ( -3.658 -6.063 -2.731) 7.590 4.535 ( -3.201 -10.334 -2.405) 11.083 4.612 ( -10.604 -17.299 -2.724) 20.472 5.278 ( 2.367 9.517 -8.993) 13.306 5.627 ( -3.626 -9.117 7.026) 12.067 6.116 ( -2.862 9.150 4.034) 10.401 6.207 ( 1.151 0.870 7.776) 7.909 6.723 ( 9.757 9.136 -6.413) 14.826 6.978 ( 0.341 -3.171 8.915) 9.468 7.166 ( -2.170 1.537 10.774) 11.097 8.037 ( -8.335 0.025 -4.129) 9.302 8.445 ( 0.858 -9.462 1.062) 9.560 8.851 ( 3.693 2.419 1.222) 4.581 9.024 ( 0.280 -7.070 -2.330) 7.450 9.831 ( -4.331 -7.135 3.016) 8.875 10.651 ( -6.642 6.881 -2.408) 9.862 11.496 ( 1.542 -4.233 -3.918) 5.971 12.491 ( -0.024 2.654 -10.802) 11.123 13.318 ( 0.860 -2.095 -7.459) 7.795 13.832 ( -5.115 -13.271 -12.911) 19.209 15.030 ( 4.655 3.409 18.002) 18.904 15.801 ( 8.208 22.966 6.976) 25.367 17.320 ( 2.178 1.046 -2.071) 3.183 17.972 ( -7.696 -11.936 -0.079) 14.203 ======================= Grid point 29 (15/174) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 8.383 14.941 5.131) 17.883 3.121 ( 11.346 13.782 6.113) 18.869 3.484 ( 0.156 -3.663 -2.725) 4.568 4.056 ( -4.882 -3.940 -2.719) 6.837 4.280 ( -7.490 -13.075 -5.330) 15.983 4.429 ( 2.881 -14.274 -1.993) 14.698 5.399 ( 0.084 10.085 -7.857) 12.785 5.473 ( -1.628 -10.023 4.941) 11.292 6.205 ( -1.060 11.694 6.805) 13.571 6.251 ( -2.477 8.842 10.071) 13.628 6.914 ( 3.830 -2.866 8.786) 10.003 7.032 ( 10.207 2.826 0.966) 10.635 7.149 ( -3.410 6.991 4.346) 8.910 7.825 ( -15.225 -0.429 -4.034) 15.756 8.404 ( 5.166 -10.388 -0.298) 11.606 8.865 ( 3.637 -9.801 1.662) 10.585 9.063 ( 4.414 3.725 -1.360) 5.934 9.679 ( -3.987 -8.342 1.613) 9.385 10.622 ( -8.677 13.402 -2.454) 16.153 11.478 ( 2.315 -5.798 -2.875) 6.873 12.505 ( -1.122 2.496 -14.056) 14.320 13.341 ( 3.725 -1.243 -5.981) 7.155 13.636 ( -2.743 -12.872 -11.840) 17.703 15.122 ( 4.020 -0.161 18.372) 18.808 16.107 ( 0.071 23.955 4.580) 24.389 17.386 ( 5.507 -0.129 -1.566) 5.727 17.726 ( -7.225 -12.057 -0.080) 14.057 ======================= Grid point 30 (16/174) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -4.319 7.481 5.731) 10.367 3.326 ( -4.046 7.008 0.789) 8.131 3.425 ( 4.033 -6.985 2.510) 8.447 3.978 ( 0.101 -0.175 -3.294) 3.300 4.144 ( 3.413 -5.911 -5.642) 8.855 4.384 ( 8.179 -14.166 -2.426) 16.536 5.406 ( 4.049 -7.012 4.431) 9.230 5.455 ( -4.682 8.109 -7.873) 12.233 6.262 ( -4.767 8.257 9.702) 13.602 6.272 ( -6.432 11.140 9.335) 15.894 6.918 ( 3.674 -6.363 11.365) 13.533 7.107 ( 1.549 -2.684 16.100) 16.395 7.252 ( -5.318 9.212 -14.803) 18.228 7.632 ( -3.810 6.599 -2.417) 7.993 8.399 ( 5.955 -10.315 -1.096) 11.961 8.843 ( 6.317 -10.941 1.620) 12.737 9.139 ( -1.373 2.377 -0.257) 2.757 9.588 ( 3.174 -5.498 0.691) 6.386 10.615 ( -9.118 15.793 -2.473) 18.403 11.468 ( 3.396 -5.882 -2.485) 7.232 12.507 ( -1.462 2.532 -15.250) 15.528 13.389 ( 0.828 -1.434 -3.534) 3.903 13.527 ( 5.767 -9.988 -13.247) 17.564 15.156 ( 1.602 -2.774 18.446) 18.722 16.231 ( -11.794 20.429 3.413) 23.835 17.511 ( 5.599 -9.698 -0.997) 11.243 17.521 ( 0.351 -0.608 -0.169) 0.722 ======================= Grid point 41 (17/174) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 9.320 16.142 4.239) 19.115 3.088 ( 9.917 17.177 9.871) 22.155 3.468 ( -1.089 -1.886 -5.041) 5.492 4.079 ( -2.406 -4.167 -3.245) 5.803 4.287 ( -8.638 -14.962 -4.410) 17.830 4.324 ( -6.504 -11.265 -3.116) 13.376 5.435 ( -5.265 -9.119 5.792) 12.018 5.446 ( 4.420 7.655 -8.270) 12.105 6.292 ( 4.253 7.367 9.526) 12.771 6.319 ( 5.496 9.520 6.959) 13.011 6.895 ( -2.584 -4.476 13.623) 14.571 6.910 ( 4.495 7.786 3.004) 9.479 7.219 ( 3.071 5.319 1.699) 6.372 8.006 ( -2.777 -4.810 -7.167) 9.067 8.256 ( -4.777 -8.273 2.765) 9.945 8.781 ( -3.701 -6.411 1.449) 7.543 9.043 ( 3.574 6.190 -2.038) 7.433 9.673 ( -5.181 -8.974 1.702) 10.501 10.783 ( 3.720 6.444 -2.094) 7.730 11.412 ( -2.556 -4.427 -3.649) 6.280 12.532 ( 0.914 1.583 -17.382) 17.478 13.293 ( -0.107 -0.184 -7.901) 7.904 13.597 ( -6.195 -10.729 -10.339) 16.137 15.089 ( 1.428 2.474 20.046) 20.248 16.233 ( 12.035 20.845 5.370) 24.661 17.332 ( -0.073 -0.127 -2.192) 2.196 17.727 ( -7.296 -12.637 0.208) 14.593 ======================= Grid point 42 (18/174) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 3.870 11.562 4.055) 12.849 3.296 ( 2.466 -2.774 5.560) 6.685 3.457 ( 0.205 8.044 -0.587) 8.068 4.000 ( -3.638 -1.863 -3.573) 5.429 4.064 ( -2.626 -8.502 -5.553) 10.489 4.154 ( 2.165 -13.266 -2.836) 13.738 5.309 ( -0.433 -6.098 5.128) 7.979 5.559 ( 0.371 5.964 -8.242) 10.180 6.409 ( -1.122 9.483 10.513) 14.203 6.470 ( -1.255 11.679 7.968) 14.194 6.816 ( 0.064 -5.495 16.143) 17.052 6.978 ( 4.164 -6.801 14.978) 16.969 7.411 ( 4.323 16.581 -10.407) 20.048 7.819 ( -13.093 -0.997 -6.161) 14.505 8.176 ( 5.912 -12.346 1.368) 13.757 8.688 ( 1.005 -6.941 1.746) 7.227 9.175 ( 2.760 6.999 -1.070) 7.599 9.506 ( -2.501 -9.307 0.292) 9.641 10.885 ( -3.912 13.425 -2.307) 14.173 11.336 ( 2.108 -8.949 -2.914) 9.644 12.553 ( -0.626 2.254 -22.140) 22.263 13.321 ( 4.135 -0.721 -7.184) 8.321 13.422 ( -3.387 -8.449 -8.116) 12.195 15.122 ( 0.982 0.117 20.847) 20.871 16.565 ( -0.271 22.850 3.196) 23.074 17.300 ( 3.154 -11.270 -0.944) 11.741 17.534 ( -3.356 -5.116 0.015) 6.119 ======================= Grid point 54 (19/174) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -4.376 -7.580 2.891) 9.217 3.156 ( 4.376 7.580 2.891) 9.217 3.601 ( -0.000 -0.000 3.697) 3.697 3.976 ( -0.000 -0.000 -5.611) 5.611 3.985 ( -0.567 -0.982 -3.636) 3.809 3.985 ( 0.567 0.982 -3.636) 3.809 5.248 ( -0.000 -0.000 5.139) 5.139 5.619 ( -0.000 -0.000 -8.232) 8.232 6.563 ( -2.328 -4.031 7.688) 8.987 6.563 ( 2.328 4.031 7.688) 8.987 6.817 ( -3.852 -6.672 18.788) 20.306 6.817 ( 3.852 6.672 18.788) 20.306 7.712 ( -6.030 -10.443 -11.411) 16.602 7.712 ( 6.030 10.443 -11.411) 16.602 8.020 ( -0.000 -0.000 6.746) 6.746 8.619 ( -0.000 -0.000 2.016) 2.016 9.328 ( -4.356 -7.545 -0.693) 8.740 9.328 ( 4.356 7.545 -0.693) 8.740 11.133 ( -5.923 -10.259 -2.561) 12.120 11.133 ( 5.923 10.259 -2.561) 12.120 12.578 ( -0.000 -0.000 -26.394) 26.394 13.325 ( -0.895 -1.550 -6.338) 6.586 13.325 ( 0.895 1.550 -6.338) 6.586 15.124 ( -0.000 -0.000 21.551) 21.551 16.981 ( -9.844 -17.050 1.093) 19.718 16.981 ( 9.844 17.050 1.093) 19.718 17.500 ( -0.000 -0.000 -0.328) 0.328 ======================= Grid point 157 (20/174) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.000 -0.000 35.966) 35.966 0.716 ( 0.000 0.000 35.966) 35.966 1.117 ( 0.000 -0.000 56.230) 56.230 4.802 ( 0.000 0.000 -7.872) 7.872 4.802 ( 0.000 0.000 -7.872) 7.872 5.109 ( 0.000 0.000 -3.743) 3.743 5.109 ( -0.000 0.000 -3.743) 3.743 5.978 ( 0.000 0.000 4.637) 4.637 6.009 ( 0.000 -0.000 4.326) 4.326 6.787 ( -0.000 -0.000 -10.452) 10.452 6.787 ( 0.000 0.000 -10.452) 10.452 7.444 ( 0.000 0.000 11.705) 11.705 7.444 ( 0.000 0.000 11.705) 11.705 7.835 ( 0.000 -0.000 -2.636) 2.636 8.465 ( 0.000 0.000 0.410) 0.410 8.624 ( 0.000 0.000 -8.119) 8.119 9.474 ( -0.000 -0.000 1.579) 1.579 9.474 ( 0.000 0.000 1.579) 1.579 11.553 ( 0.000 0.000 -2.636) 2.636 11.553 ( 0.000 0.000 -2.636) 2.636 13.585 ( 0.000 0.000 -3.997) 3.997 13.585 ( 0.000 0.000 -3.997) 3.997 13.613 ( 0.000 -0.000 1.193) 1.193 14.379 ( 0.000 -0.000 4.340) 4.340 14.379 ( 0.000 0.000 4.340) 4.340 17.277 ( 0.000 0.000 2.382) 2.382 18.872 ( 0.000 -0.000 -3.057) 3.057 ======================= Grid point 158 (21/174) ======================= q-point: ( 0.08 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 16.368 10.915 20.386) 28.331 0.919 ( 9.587 17.752 28.897) 35.243 1.602 ( 34.899 13.164 41.143) 55.534 4.694 ( -4.531 -5.569 -7.215) 10.179 4.754 ( -5.615 0.248 -6.105) 8.298 5.092 ( 1.514 -5.273 4.944) 7.385 5.220 ( 4.788 7.892 -2.618) 9.595 5.786 ( -1.232 -8.793 0.266) 8.883 5.877 ( -8.487 -5.467 4.499) 11.052 6.749 ( -7.124 6.442 -11.610) 15.068 6.842 ( -3.214 -2.450 -6.757) 7.873 7.310 ( -7.184 -7.654 11.901) 15.869 7.436 ( -4.062 3.521 11.792) 12.959 7.928 ( 6.222 3.192 -1.002) 7.065 8.495 ( 2.670 1.425 0.436) 3.058 8.581 ( -1.488 -0.582 -9.564) 9.696 9.452 ( -1.209 -2.184 1.541) 2.934 9.818 ( 15.620 11.862 -10.914) 22.446 11.474 ( -8.626 -5.210 1.279) 10.159 11.592 ( 2.015 -2.459 0.815) 3.282 12.369 ( -29.855 -18.918 29.374) 45.957 13.542 ( 3.491 -13.795 -2.974) 14.537 14.310 ( 0.972 -1.327 -2.418) 2.924 14.407 ( 6.994 22.552 -14.033) 27.467 14.629 ( 12.169 6.490 2.549) 14.025 17.272 ( -0.364 -0.443 1.825) 1.913 18.700 ( -9.757 -5.360 3.221) 11.589 ======================= Grid point 159 (22/174) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 17.923 18.373 15.858) 30.171 1.373 ( 23.363 21.327 4.248) 31.918 2.343 ( 35.591 13.455 28.518) 47.551 4.555 ( -4.674 -7.382 -5.674) 10.418 4.689 ( -3.954 3.625 -7.811) 9.475 5.047 ( 1.950 -8.343 9.303) 12.647 5.404 ( 6.375 9.555 -4.382) 12.294 5.608 ( -13.709 -9.871 4.434) 17.465 5.832 ( 8.466 -1.867 -12.119) 14.900 6.639 ( -11.772 -1.458 -3.274) 12.305 6.650 ( -11.844 -1.912 -10.182) 15.735 7.151 ( -4.470 -2.785 12.194) 13.283 7.380 ( -6.327 3.577 12.496) 14.456 8.042 ( 3.783 1.265 -0.140) 3.992 8.562 ( -0.394 0.347 -9.439) 9.453 8.577 ( 4.199 1.999 -0.537) 4.681 9.399 ( -1.958 -2.791 1.526) 3.735 10.044 ( 1.848 6.991 -3.500) 8.033 11.081 ( -18.898 -14.627 17.765) 29.777 11.621 ( 4.673 -3.981 -0.090) 6.140 12.172 ( 3.758 -0.191 -1.279) 3.975 13.461 ( 1.425 -10.385 -1.479) 10.586 14.296 ( 2.511 -9.251 -6.484) 11.573 14.704 ( 6.627 18.427 -9.574) 21.797 14.821 ( 3.327 11.460 10.791) 16.089 17.259 ( -0.193 -0.953 0.190) 0.990 18.497 ( -9.158 -4.887 -0.088) 10.381 ======================= Grid point 160 (23/174) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 18.414 17.052 13.996) 28.735 1.998 ( 24.341 21.250 -4.602) 32.638 3.000 ( 27.386 10.224 17.815) 34.233 4.397 ( -5.938 -6.844 -4.051) 9.925 4.682 ( -1.588 3.896 -9.803) 10.668 5.002 ( 1.853 -8.769 5.644) 10.592 5.254 ( -13.931 -11.888 5.641) 19.163 5.606 ( 5.403 10.020 -5.627) 12.699 5.916 ( 0.463 -1.617 -10.052) 10.192 6.377 ( -11.013 -3.238 -2.013) 11.655 6.499 ( -4.468 -1.470 -10.054) 11.100 7.097 ( -2.635 2.660 10.372) 11.027 7.302 ( -7.106 3.844 11.029) 13.672 8.053 ( -2.037 -3.129 -0.586) 3.779 8.559 ( 0.031 0.621 -7.993) 8.017 8.690 ( 5.851 3.216 0.513) 6.697 9.341 ( -1.719 -2.583 1.538) 3.463 10.069 ( -4.439 4.374 2.376) 6.669 10.675 ( -12.932 -13.291 13.705) 23.059 11.649 ( 2.464 -3.137 1.501) 4.262 12.267 ( 6.631 -1.438 -7.834) 10.364 13.402 ( 1.848 -7.089 -0.231) 7.329 14.193 ( -1.476 -13.225 -6.138) 14.654 14.995 ( 8.219 15.004 -9.372) 19.507 15.017 ( 4.353 15.623 13.592) 21.161 17.255 ( 1.034 -0.898 -2.111) 2.516 18.282 ( -10.548 -5.684 -3.256) 12.417 ======================= Grid point 161 (24/174) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 17.161 15.291 11.154) 25.549 2.571 ( 20.882 17.571 -4.213) 27.614 3.417 ( 13.222 3.995 7.690) 15.809 4.225 ( -6.776 -6.338 -2.940) 9.733 4.665 ( -4.547 -4.336 -9.406) 11.311 4.863 ( -9.258 -0.875 1.832) 9.478 5.043 ( 3.667 -11.954 4.829) 13.404 5.721 ( -6.241 7.567 -7.480) 12.335 5.868 ( 2.884 -0.949 0.105) 3.038 6.216 ( -8.388 2.957 1.782) 9.071 6.532 ( 7.789 -0.405 -16.647) 18.384 7.100 ( -1.455 4.706 8.630) 9.937 7.219 ( -7.204 4.223 7.945) 11.526 7.913 ( -8.016 -7.340 -1.536) 10.977 8.576 ( 1.133 0.423 -4.127) 4.301 8.838 ( 7.178 4.662 1.031) 8.621 9.293 ( -1.460 -1.880 1.488) 2.807 10.002 ( -7.157 2.611 5.455) 9.370 10.388 ( -7.399 -10.703 8.427) 15.502 11.643 ( 0.407 -2.686 2.803) 3.904 12.347 ( 6.173 -4.296 -7.578) 10.676 13.390 ( 3.351 -4.169 1.110) 5.463 14.012 ( -3.807 -13.684 -4.200) 14.812 15.233 ( -1.612 23.536 4.696) 24.054 15.270 ( 12.773 3.561 -1.707) 13.369 17.286 ( 3.262 0.170 -4.308) 5.406 18.036 ( -11.536 -6.355 -5.552) 14.292 ======================= Grid point 162 (25/174) ======================= q-point: ( 0.42 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 11.196 11.769 9.770) 18.956 3.022 ( 15.249 11.773 -0.685) 19.277 3.533 ( 0.167 -0.925 -1.414) 1.698 4.058 ( -5.571 -5.372 -2.063) 8.009 4.426 ( -9.166 -10.052 -0.747) 13.625 4.833 ( -0.237 3.306 -6.627) 7.410 5.024 ( 4.682 -8.204 1.583) 9.577 5.628 ( -6.386 1.588 -3.185) 7.311 5.974 ( 3.346 6.407 -0.458) 7.243 6.154 ( -4.590 5.394 4.803) 8.557 6.670 ( 6.364 1.053 -16.671) 17.876 7.116 ( -4.762 6.213 1.337) 7.942 7.187 ( 1.614 4.044 7.966) 9.078 7.667 ( -10.617 -9.224 -0.846) 14.089 8.596 ( 1.184 -0.485 -1.506) 1.976 9.013 ( 7.346 5.258 2.033) 9.260 9.248 ( -2.342 -1.387 1.301) 3.017 9.896 ( -7.069 1.730 7.639) 10.551 10.218 ( -2.243 -7.639 4.089) 8.950 11.620 ( -0.017 -2.188 3.339) 3.992 12.392 ( 5.343 -6.337 -5.969) 10.214 13.431 ( 4.561 -1.638 3.282) 5.853 13.824 ( -2.578 -12.743 -4.265) 13.683 15.393 ( -6.410 22.799 0.733) 23.694 15.476 ( 10.233 -2.202 1.262) 10.543 17.375 ( 6.104 2.338 -5.599) 8.607 17.781 ( -10.950 -6.345 -7.421) 14.671 ======================= Grid point 163 (26/174) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -2.432 4.213 9.535) 10.704 3.249 ( -0.027 0.047 5.846) 5.846 3.488 ( -0.938 1.625 -10.122) 10.294 3.975 ( 1.050 -1.818 -1.345) 2.493 4.283 ( 2.217 -3.840 0.698) 4.488 4.852 ( -0.187 0.324 -8.270) 8.278 5.026 ( 3.443 -5.964 0.765) 6.928 5.577 ( -1.779 3.082 -2.474) 4.334 6.051 ( -2.663 4.613 0.320) 5.336 6.137 ( -3.481 6.029 4.920) 8.525 6.729 ( 0.168 -0.291 -14.077) 14.081 7.099 ( -4.470 7.742 0.353) 8.947 7.290 ( 0.182 -0.315 1.001) 1.065 7.464 ( 1.428 -2.474 2.703) 3.933 8.604 ( 0.651 -1.127 -0.654) 1.456 9.147 ( -0.102 0.176 4.606) 4.610 9.184 ( -0.663 1.148 -0.867) 1.584 9.836 ( -2.190 3.793 8.430) 9.500 10.163 ( 2.643 -4.577 2.446) 5.824 11.608 ( 0.857 -1.485 3.456) 3.857 12.406 ( 4.303 -7.453 -5.198) 10.055 13.477 ( 1.045 -1.810 6.067) 6.417 13.723 ( 5.370 -9.301 -6.374) 12.489 15.451 ( -11.752 20.355 -0.797) 23.517 15.554 ( 4.188 -7.254 2.529) 8.750 17.506 ( -0.032 0.055 -2.713) 2.713 17.589 ( 0.459 -0.794 -11.490) 11.526 ======================= Grid point 171 (27/174) ======================= q-point: ( 0.08 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 16.858 29.198 1.830) 33.765 1.309 ( 12.004 20.791 21.614) 32.303 2.067 ( 18.367 31.812 33.380) 49.634 4.543 ( -4.910 -8.504 -6.548) 11.803 4.760 ( 0.094 0.162 -8.100) 8.102 4.989 ( -2.989 -5.176 10.166) 11.793 5.388 ( 5.383 9.324 -3.249) 11.246 5.678 ( -8.272 -14.327 3.789) 16.972 5.746 ( 3.169 5.489 -12.320) 13.855 6.736 ( -4.565 -7.907 -0.873) 9.171 6.747 ( -5.223 -9.047 -10.525) 14.829 7.176 ( -2.218 -3.841 13.912) 14.602 7.471 ( -0.087 -0.151 12.012) 12.014 8.013 ( 2.602 4.506 -0.349) 5.215 8.549 ( 2.275 3.940 0.269) 4.558 8.567 ( -0.564 -0.977 -10.203) 10.266 9.385 ( -2.591 -4.488 0.906) 5.260 10.070 ( 5.815 10.071 -4.940) 12.635 11.253 ( -12.682 -21.965 21.267) 33.100 11.456 ( -1.117 -1.934 -5.291) 5.743 12.167 ( 0.086 0.149 1.400) 1.410 13.373 ( -2.922 -5.061 -5.632) 8.115 14.222 ( -3.137 -5.434 -1.606) 6.477 14.766 ( 6.274 10.867 -7.877) 14.816 14.846 ( 9.186 15.911 6.665) 19.544 17.256 ( -0.635 -1.099 0.460) 1.350 18.554 ( -5.038 -8.726 1.585) 10.200 ======================= Grid point 172 (28/174) ======================= q-point: ( 0.17 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 12.361 22.141 15.817) 29.886 1.844 ( 20.954 26.162 -2.604) 33.620 2.710 ( 23.610 22.829 22.009) 39.535 4.386 ( -3.553 -9.012 -5.815) 11.299 4.740 ( -2.690 -1.127 -8.530) 9.015 4.927 ( 0.505 -1.652 5.043) 5.330 5.339 ( -12.162 -17.104 2.553) 21.142 5.591 ( 6.666 9.602 -1.907) 11.844 5.908 ( 4.865 8.760 -14.900) 17.956 6.479 ( -9.997 -12.423 -6.101) 17.073 6.557 ( -6.862 -7.827 1.639) 10.537 7.157 ( -0.785 2.457 11.853) 12.130 7.439 ( -4.279 1.973 12.821) 13.660 8.068 ( -0.300 1.184 -0.225) 1.242 8.542 ( -0.160 -2.522 -9.209) 9.550 8.644 ( 4.054 4.541 0.130) 6.089 9.292 ( -0.992 -7.622 0.896) 7.739 10.169 ( -1.390 3.698 5.410) 6.699 10.834 ( -16.386 -9.681 12.169) 22.590 11.484 ( 7.551 -6.994 -3.929) 11.017 12.216 ( 1.668 2.923 -8.684) 9.314 13.304 ( 0.711 -5.941 -4.768) 7.651 14.099 ( -2.533 -10.416 -2.845) 11.091 14.960 ( 6.053 9.789 -0.261) 11.512 15.154 ( 6.557 19.930 6.055) 21.837 17.237 ( -0.112 -1.206 -1.967) 2.310 18.365 ( -7.533 -8.570 -1.221) 11.475 ======================= Grid point 173 (29/174) ======================= q-point: ( 0.25 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 14.149 19.522 12.615) 27.211 2.423 ( 19.373 22.068 -2.810) 29.499 3.230 ( 16.525 12.142 11.710) 23.614 4.243 ( -3.785 -8.115 -4.887) 10.201 4.650 ( -2.442 -8.273 -7.381) 11.353 4.957 ( -10.656 -17.349 2.771) 20.548 4.969 ( 0.364 5.239 -1.344) 5.421 5.794 ( 6.457 6.778 0.455) 9.373 5.937 ( -10.196 3.737 -6.732) 12.777 6.351 ( 3.995 0.156 -13.343) 13.930 6.392 ( -3.138 -4.650 3.932) 6.850 7.170 ( -1.398 3.789 11.603) 12.285 7.376 ( -6.051 3.203 10.952) 12.916 8.003 ( -7.314 -1.803 -1.555) 7.692 8.524 ( 2.091 -4.212 -6.078) 7.685 8.773 ( 5.855 5.020 0.574) 7.734 9.213 ( 1.706 -9.719 1.156) 9.935 10.120 ( -5.117 -1.677 11.183) 12.412 10.531 ( -14.094 0.013 3.721) 14.577 11.536 ( 6.153 -6.998 -1.556) 9.447 12.258 ( 1.872 -0.316 -11.550) 11.705 13.282 ( 3.197 -5.188 -3.457) 7.006 13.934 ( -3.405 -12.986 -2.881) 13.730 15.162 ( 7.472 7.604 3.310) 11.163 15.448 ( 3.469 22.542 4.201) 23.191 17.239 ( 1.761 -0.666 -4.575) 4.948 18.136 ( -9.360 -9.229 -3.487) 13.599 ======================= Grid point 174 (30/174) ======================= q-point: ( 0.33 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 12.892 16.008 10.433) 23.050 2.905 ( 15.058 16.776 -0.660) 22.553 3.477 ( 5.527 1.465 3.171) 6.538 4.096 ( -5.253 -6.480 -3.900) 9.209 4.460 ( -8.283 -13.323 -4.418) 16.298 4.687 ( 0.902 -16.080 -1.224) 16.152 5.058 ( 0.081 9.446 -3.791) 10.179 5.717 ( -6.736 -6.561 0.714) 9.430 6.006 ( 3.009 12.629 -1.638) 13.085 6.304 ( -5.444 5.805 7.118) 10.677 6.553 ( 10.816 5.122 -16.419) 20.318 7.183 ( -1.079 3.258 11.518) 12.019 7.304 ( -6.114 3.705 6.869) 9.914 7.799 ( -12.657 -4.146 -2.497) 13.551 8.527 ( 3.458 -5.144 -2.897) 6.842 8.934 ( 7.272 4.711 1.751) 8.839 9.163 ( 3.766 -10.050 1.591) 10.849 9.983 ( -5.829 -6.207 12.405) 15.046 10.355 ( -11.618 7.637 -0.538) 13.913 11.552 ( 3.504 -6.033 0.349) 6.986 12.277 ( 2.585 -3.173 -11.791) 12.481 13.313 ( 5.705 -3.728 -1.928) 7.082 13.744 ( -3.664 -13.276 -2.788) 14.052 15.340 ( 6.822 3.408 4.488) 8.848 15.692 ( -1.420 23.378 2.633) 23.568 17.293 ( 5.014 0.495 -6.407) 8.150 17.880 ( -9.950 -9.560 -5.316) 14.787 ======================= Grid point 175 (31/174) ======================= q-point: ( 0.42 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 4.459 10.304 9.593) 14.767 3.232 ( 6.958 10.168 4.234) 13.028 3.493 ( -0.439 -3.507 -4.767) 5.934 3.963 ( -3.059 -4.141 -2.989) 5.953 4.219 ( -3.257 -10.357 -1.738) 10.995 4.617 ( 7.717 -16.066 -4.698) 18.432 5.133 ( -3.043 9.886 -4.880) 11.437 5.589 ( -1.212 -5.011 0.444) 5.174 6.150 ( -0.408 10.421 0.134) 10.430 6.287 ( -5.316 8.085 7.788) 12.421 6.754 ( 2.914 8.467 -14.391) 16.949 7.197 ( -0.678 2.047 9.839) 10.073 7.278 ( 0.058 3.817 2.629) 4.635 7.540 ( -11.666 -2.852 -1.361) 12.087 8.534 ( 3.504 -5.623 -1.227) 6.738 9.072 ( 6.600 -3.415 1.647) 7.612 9.148 ( 2.456 -3.350 3.194) 5.239 9.843 ( -1.710 -6.834 11.574) 13.549 10.278 ( -9.053 11.925 -1.801) 15.080 11.547 ( 2.649 -5.124 1.159) 5.883 12.285 ( 2.917 -4.661 -11.245) 12.517 13.398 ( 7.049 -1.779 0.966) 7.333 13.568 ( -1.463 -12.800 -4.722) 13.721 15.443 ( 3.756 -0.978 4.727) 6.116 15.836 ( -8.179 21.987 1.814) 23.529 17.422 ( 8.852 2.158 -6.666) 11.290 17.629 ( -8.719 -9.055 -6.962) 14.370 ======================= Grid point 184 (32/174) ======================= q-point: ( 0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 11.566 20.033 11.953) 26.038 2.363 ( 15.316 26.528 -1.384) 30.664 3.144 ( 11.355 19.667 13.493) 26.416 4.226 ( -4.215 -7.300 -5.347) 9.983 4.629 ( -4.745 -8.219 -5.450) 10.944 4.970 ( -11.634 -20.151 1.330) 23.307 4.991 ( 3.486 6.037 -3.315) 7.719 5.768 ( 4.190 7.257 1.499) 8.512 6.123 ( 6.707 11.617 -12.973) 18.661 6.192 ( -7.439 -12.885 -6.308) 16.161 6.447 ( -1.796 -3.111 4.339) 5.633 7.201 ( 0.954 1.653 12.323) 12.470 7.450 ( -0.423 -0.733 12.703) 12.731 8.072 ( -0.883 -1.529 -0.242) 1.782 8.471 ( -2.463 -4.266 -7.633) 9.084 8.747 ( 3.479 6.026 0.084) 6.959 9.137 ( -4.426 -7.666 1.193) 8.932 10.151 ( -2.961 -5.129 13.769) 14.989 10.700 ( -2.883 -4.994 2.214) 6.177 11.408 ( -0.598 -1.036 -5.559) 5.686 12.248 ( 0.187 0.323 -12.213) 12.218 13.222 ( -1.482 -2.567 -4.799) 5.641 13.897 ( -5.983 -10.363 -1.507) 12.061 15.140 ( 5.066 8.775 5.276) 11.424 15.531 ( 10.786 18.682 2.873) 21.762 17.220 ( -0.187 -0.324 -4.654) 4.669 18.170 ( -6.595 -11.423 -2.438) 13.414 ======================= Grid point 185 (33/174) ======================= q-point: ( 0.25 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 11.717 16.905 8.859) 22.395 2.845 ( 13.891 21.062 -0.117) 25.231 3.413 ( 5.460 5.590 6.814) 10.368 4.100 ( -3.161 -6.423 -4.940) 8.698 4.452 ( -5.608 -10.985 -5.616) 13.553 4.591 ( -9.067 -19.126 0.497) 21.172 5.123 ( 3.097 8.831 -5.713) 10.965 5.736 ( -5.929 -10.106 3.983) 12.375 6.108 ( 0.624 11.324 -6.252) 12.951 6.376 ( 6.433 6.168 7.277) 11.505 6.462 ( 4.642 8.474 -13.653) 16.726 7.217 ( -0.374 0.906 14.102) 14.136 7.414 ( -3.709 0.494 10.407) 11.059 7.976 ( -9.269 -1.573 -1.859) 9.584 8.405 ( 2.011 -7.542 -4.243) 8.884 8.876 ( 4.915 5.080 1.261) 7.180 9.016 ( 0.474 -8.985 1.484) 9.119 10.004 ( -5.646 -8.837 13.538) 17.124 10.620 ( -7.654 6.622 -1.130) 10.183 11.413 ( 4.030 -5.405 -4.366) 8.032 12.238 ( -0.208 -1.697 -13.911) 14.015 13.204 ( 2.401 -2.677 -3.935) 5.330 13.699 ( -5.110 -11.155 -0.767) 12.294 15.294 ( 4.498 5.827 7.670) 10.631 15.871 ( 6.385 20.943 0.355) 21.898 17.231 ( 2.032 -0.159 -6.901) 7.196 17.930 ( -8.283 -11.723 -3.354) 14.741 ======================= Grid point 186 (34/174) ======================= q-point: ( 0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 9.438 12.311 6.691) 16.893 3.220 ( 9.189 15.031 0.152) 17.618 3.458 ( 0.014 -3.039 3.709) 4.795 3.985 ( -4.084 -4.771 -4.461) 7.703 4.199 ( -7.851 -12.838 -2.615) 15.274 4.375 ( 2.261 -15.431 -2.968) 15.876 5.248 ( 0.629 9.332 -6.656) 11.479 5.548 ( -3.046 -9.476 2.618) 10.292 6.260 ( 1.265 12.516 -3.510) 13.061 6.441 ( -2.821 7.807 8.136) 11.623 6.751 ( 10.459 14.405 -13.635) 22.424 7.212 ( -0.519 -0.192 15.703) 15.713 7.346 ( -4.285 0.702 6.740) 8.018 7.750 ( -14.306 -1.440 -3.036) 14.695 8.388 ( 4.933 -8.835 -1.225) 10.193 8.911 ( 3.262 -9.352 2.940) 10.332 9.071 ( 6.544 4.303 2.129) 8.116 9.813 ( -4.946 -10.382 11.294) 16.118 10.573 ( -9.208 12.962 -2.530) 16.100 11.423 ( 4.396 -7.306 -2.702) 8.944 12.219 ( 0.734 -2.747 -14.338) 14.618 13.250 ( 6.040 -2.546 -3.119) 7.259 13.514 ( -4.342 -10.169 -0.429) 11.065 15.396 ( 2.863 2.260 8.385) 9.144 16.132 ( -0.892 21.822 -1.544) 21.895 17.292 ( 6.185 -1.402 -8.457) 10.571 17.679 ( -8.204 -10.358 -3.507) 13.671 ======================= Grid point 187 (35/174) ======================= q-point: ( 0.42 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -2.684 4.649 5.755) 7.871 3.396 ( 3.117 -5.398 -5.472) 8.295 3.420 ( -4.806 8.325 8.965) 13.144 3.908 ( 0.731 -1.266 -3.954) 4.216 4.054 ( 3.594 -6.225 -2.565) 7.632 4.322 ( 7.936 -13.746 -3.630) 16.282 5.303 ( -4.170 7.223 -6.934) 10.847 5.474 ( 3.358 -5.815 2.347) 7.114 6.342 ( -5.120 8.868 -3.014) 10.674 6.451 ( -4.674 8.095 6.644) 11.468 6.957 ( -5.638 9.765 -12.724) 17.002 7.201 ( 0.548 -0.949 16.899) 16.934 7.311 ( -0.572 0.990 4.776) 4.911 7.577 ( -3.238 5.609 -2.692) 7.014 8.388 ( 5.278 -9.141 -0.249) 10.558 8.891 ( 5.778 -10.007 2.988) 11.936 9.171 ( -1.029 1.782 3.415) 3.987 9.700 ( 4.038 -6.995 10.156) 12.976 10.559 ( -8.898 15.412 -3.110) 18.066 11.423 ( 4.439 -7.689 -2.035) 9.109 12.212 ( 1.639 -2.839 -14.316) 14.686 13.339 ( 4.265 -7.388 -5.735) 10.279 13.378 ( 1.807 -3.129 2.588) 4.444 15.431 ( 0.202 -0.349 8.464) 8.474 16.235 ( -10.888 18.859 -2.297) 21.897 17.381 ( 5.417 -9.383 -11.940) 16.123 17.510 ( -0.029 0.051 -0.462) 0.466 ======================= Grid point 194 (36/174) ======================= q-point: (-0.08 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -13.073 22.643 9.707) 27.890 1.127 ( -11.292 19.558 17.114) 28.335 2.212 ( -20.113 34.836 30.356) 50.394 4.616 ( 4.422 -7.659 -3.758) 9.609 4.667 ( 1.010 -1.750 -7.659) 7.921 5.187 ( -1.314 2.276 12.156) 12.437 5.251 ( -3.308 5.730 -8.815) 11.022 5.706 ( 7.198 -12.468 5.031) 15.251 5.903 ( -4.533 7.851 -7.427) 11.719 6.555 ( 5.812 -10.067 -13.970) 18.174 6.705 ( 6.532 -11.313 -3.786) 13.601 7.203 ( 4.449 -7.705 9.399) 12.942 7.335 ( 2.370 -4.104 12.904) 13.747 8.027 ( -3.090 5.352 0.518) 6.201 8.554 ( -2.422 4.194 0.580) 4.878 8.560 ( 0.765 -1.325 -11.170) 11.274 9.415 ( 2.055 -3.559 2.427) 4.772 9.970 ( -3.122 5.408 -5.640) 8.414 11.277 ( 9.232 -15.990 14.613) 23.547 11.614 ( -0.261 0.452 1.593) 1.676 12.206 ( -1.229 2.128 5.525) 6.047 13.623 ( 1.348 -2.336 5.614) 6.228 14.356 ( -2.709 4.692 -17.718) 18.528 14.509 ( -7.246 12.551 -8.546) 16.824 14.682 ( 0.384 -0.666 11.716) 11.742 17.269 ( 0.108 -0.187 1.000) 1.023 18.547 ( 5.191 -8.991 0.372) 10.389 ======================= Grid point 198 (37/174) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 8.155 14.125 5.411) 17.185 3.215 ( 9.138 15.827 -2.570) 18.455 3.444 ( -0.619 -1.073 7.640) 7.739 3.995 ( -2.637 -4.567 -5.032) 7.289 4.241 ( -8.877 -15.375 -0.117) 17.754 4.244 ( -6.209 -10.754 -4.640) 13.257 5.289 ( 4.496 7.787 -6.981) 11.384 5.526 ( -5.646 -9.779 3.358) 11.780 6.318 ( 5.742 9.946 -6.712) 13.302 6.506 ( 3.126 5.414 8.556) 10.596 6.723 ( 10.082 17.463 -12.049) 23.490 7.213 ( -0.593 -1.027 17.255) 17.296 7.395 ( -1.254 -2.171 8.548) 8.908 7.903 ( -4.104 -7.109 -3.081) 8.768 8.267 ( -3.162 -5.477 -1.155) 6.429 8.831 ( -3.600 -6.235 3.532) 8.019 9.034 ( 4.493 7.783 1.232) 9.071 9.805 ( -6.493 -11.247 11.093) 17.079 10.742 ( 3.260 5.647 -2.101) 6.850 11.324 ( -2.264 -3.921 -5.145) 6.853 12.201 ( -1.039 -1.799 -15.264) 15.404 13.183 ( 0.332 0.575 -3.068) 3.139 13.502 ( -5.239 -9.075 0.186) 10.481 15.384 ( 1.976 3.423 9.501) 10.290 16.253 ( 10.422 18.051 -3.231) 21.092 17.225 ( -0.529 -0.916 -8.890) 8.952 17.698 ( -6.587 -11.408 -2.092) 13.338 ======================= Grid point 199 (38/174) ======================= q-point: ( 0.33 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 4.609 8.807 2.712) 10.304 3.309 ( -0.609 -5.926 -4.276) 7.333 3.543 ( 3.211 12.331 9.030) 15.618 3.914 ( -2.757 -2.556 -4.732) 6.043 3.991 ( -5.082 -7.893 -1.727) 9.545 4.099 ( 2.760 -12.806 -2.410) 13.319 5.391 ( -0.742 -5.508 2.861) 6.251 5.403 ( 0.290 5.652 -6.988) 8.992 6.473 ( 0.718 9.166 -6.780) 11.424 6.571 ( -1.340 4.671 1.425) 5.064 7.047 ( 6.893 12.955 -2.270) 14.849 7.189 ( -0.515 -1.696 19.180) 19.262 7.363 ( -1.670 3.338 4.168) 5.595 7.707 ( -9.495 -4.265 -4.361) 11.286 8.209 ( 3.697 -8.401 1.356) 9.278 8.746 ( 1.074 -6.364 3.986) 7.586 9.196 ( 3.784 7.976 3.349) 9.442 9.596 ( -3.163 -11.609 8.675) 14.834 10.827 ( -4.428 12.844 -3.516) 14.034 11.264 ( 3.089 -9.210 -4.352) 10.644 12.176 ( 0.116 -1.581 -15.739) 15.818 13.224 ( 3.700 0.005 -2.307) 4.360 13.352 ( -3.157 -6.651 0.456) 7.377 15.427 ( 0.683 0.980 9.877) 9.949 16.537 ( -0.582 19.936 -5.762) 20.761 17.184 ( 3.056 -10.786 -10.757) 15.536 17.531 ( -3.194 -3.884 0.242) 5.035 ======================= Grid point 205 (39/174) ======================= q-point: (-0.17 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -16.310 18.291 10.891) 26.818 1.651 ( -24.777 18.429 -1.452) 30.913 2.864 ( -19.820 27.186 21.258) 39.797 4.467 ( 4.649 -7.331 -2.263) 8.971 4.637 ( 0.802 -1.135 -7.871) 7.993 5.190 ( 6.169 7.310 6.624) 11.636 5.355 ( 0.687 -9.169 1.155) 9.267 5.474 ( 0.394 -2.237 -1.422) 2.680 6.024 ( 3.854 10.006 -11.128) 15.454 6.381 ( -0.763 -15.259 -10.179) 18.358 6.461 ( 7.175 -9.198 -5.656) 12.964 7.073 ( 2.522 -5.680 5.879) 8.555 7.259 ( 2.048 -4.349 12.239) 13.149 8.105 ( -0.109 3.598 1.571) 3.928 8.526 ( 0.159 -3.426 -10.560) 11.103 8.650 ( -3.823 4.591 0.503) 5.995 9.334 ( 1.703 -5.970 2.989) 6.890 10.015 ( -0.471 -1.412 0.479) 1.564 10.941 ( 15.735 -6.206 14.547) 22.310 11.632 ( -2.449 -2.323 2.576) 4.246 12.320 ( -2.535 9.848 -3.111) 10.634 13.541 ( 5.949 1.228 6.308) 8.758 14.399 ( 5.047 1.714 -15.705) 16.585 14.664 ( -7.958 -4.083 13.428) 16.134 14.847 ( -14.384 11.260 -8.443) 20.123 17.269 ( 0.069 0.702 -0.510) 0.871 18.355 ( 7.367 -9.002 -3.061) 12.029 ======================= Grid point 211 (40/174) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -3.451 -5.977 -0.589) 6.926 3.179 ( 3.451 5.977 -0.589) 6.926 3.717 ( -0.000 -0.000 7.667) 7.667 3.885 ( -0.000 -0.000 -3.500) 3.500 3.920 ( -0.952 -1.649 -2.517) 3.156 3.920 ( 0.952 1.649 -2.517) 3.156 5.333 ( -0.000 -0.000 3.307) 3.307 5.464 ( -0.000 -0.000 -7.303) 7.303 6.594 ( -1.334 -2.311 -6.118) 6.675 6.594 ( 1.334 2.311 -6.118) 6.675 7.161 ( -0.713 -1.234 16.673) 16.733 7.161 ( 0.713 1.234 16.673) 16.733 7.544 ( -5.996 -10.386 -5.411) 13.157 7.544 ( 5.996 10.386 -5.411) 13.157 8.119 ( 0.000 0.000 3.273) 3.273 8.683 ( -0.000 -0.000 4.353) 4.353 9.377 ( -5.292 -9.165 5.795) 12.066 9.377 ( 5.292 9.165 5.795) 12.066 11.063 ( -5.679 -9.837 -4.361) 12.167 11.063 ( 5.679 9.837 -4.361) 12.167 12.161 ( -0.000 -0.000 -16.183) 16.183 13.255 ( -1.641 -2.843 -0.565) 3.331 13.255 ( 1.641 2.843 -0.565) 3.331 15.436 ( -0.000 -0.000 10.161) 10.161 16.901 ( -8.611 -14.914 -9.059) 19.458 16.901 ( 8.611 14.914 -9.059) 19.458 17.502 ( -0.000 -0.000 0.961) 0.961 ======================= Grid point 218 (41/174) ======================= q-point: (-0.25 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -17.867 15.257 8.163) 24.872 2.245 ( -25.617 14.989 -5.387) 30.165 3.350 ( -11.896 15.618 12.417) 23.230 4.315 ( 5.946 -5.736 -1.388) 8.377 4.623 ( -1.623 -3.336 -7.204) 8.103 4.976 ( 14.281 -11.311 3.256) 18.506 5.259 ( 4.915 8.243 8.206) 12.627 5.568 ( -5.775 -3.441 -9.454) 11.600 5.947 ( 6.902 1.547 -5.842) 9.174 6.197 ( 5.189 -8.951 -1.525) 10.458 6.476 ( -7.992 1.326 -16.920) 18.759 7.008 ( -1.614 -6.670 1.865) 7.111 7.185 ( 2.509 -2.272 11.871) 12.344 8.067 ( 8.175 1.625 0.432) 8.346 8.511 ( -3.582 -4.747 -6.425) 8.755 8.769 ( -5.177 4.303 0.308) 6.739 9.252 ( -0.162 -7.939 3.344) 8.616 9.972 ( 2.050 -4.328 3.757) 6.087 10.657 ( 15.336 1.965 10.162) 18.502 11.639 ( -1.452 -3.195 3.045) 4.646 12.444 ( -0.214 10.539 -2.142) 10.757 13.474 ( 3.669 2.130 5.927) 7.289 14.243 ( 11.373 -1.415 -2.917) 11.826 14.814 ( -15.534 -9.252 4.054) 18.529 15.211 ( -12.031 16.199 -9.686) 22.382 17.285 ( -0.847 1.661 -2.277) 2.943 18.125 ( 9.002 -9.717 -5.423) 14.314 ======================= Grid point 219 (42/174) ======================= q-point: (-0.17 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -11.891 20.595 5.104) 24.323 2.078 ( -14.376 24.900 -4.287) 29.070 3.326 ( -10.898 18.876 14.239) 26.035 4.326 ( 3.891 -6.739 -0.763) 7.819 4.602 ( 1.586 -2.747 -5.389) 6.253 5.046 ( 9.976 -17.278 3.118) 20.194 5.345 ( -2.785 4.824 9.084) 10.656 5.492 ( -0.980 1.698 -9.508) 9.708 6.090 ( 5.681 -9.839 -10.077) 15.187 6.147 ( 1.364 -2.362 -2.232) 3.525 6.391 ( -2.537 4.394 -15.112) 15.941 6.951 ( 3.538 -6.128 -0.336) 7.084 7.208 ( 0.720 -1.248 11.542) 11.632 8.166 ( -1.088 1.885 4.051) 4.599 8.432 ( 3.223 -5.583 -10.390) 12.227 8.746 ( -2.917 5.052 0.213) 5.837 9.203 ( 3.868 -6.700 4.501) 8.950 9.970 ( 2.047 -3.545 3.964) 5.698 10.823 ( 3.380 -5.854 9.544) 11.695 11.591 ( 0.981 -1.700 2.841) 3.453 12.503 ( -4.968 8.605 0.354) 9.942 13.525 ( 1.152 -1.996 9.635) 9.906 14.336 ( 4.816 -8.342 -1.054) 9.690 14.617 ( -0.773 1.339 1.605) 2.229 15.188 ( -12.050 20.871 -13.702) 27.723 17.287 ( -0.661 1.145 -1.426) 1.944 18.153 ( 6.740 -11.674 -5.340) 14.499 ======================= Grid point 231 (43/174) ======================= q-point: (-0.33 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -15.591 11.451 6.415) 20.380 2.777 ( -21.620 11.767 -4.518) 25.026 3.544 ( -1.023 2.844 3.822) 4.873 4.157 ( 7.143 -3.812 -0.835) 8.139 4.573 ( 7.844 -7.559 -3.145) 11.338 4.679 ( 0.271 -11.007 2.267) 11.242 5.272 ( 6.062 13.038 2.955) 14.679 5.549 ( -0.808 -9.104 -7.383) 11.749 5.923 ( -0.657 2.707 -5.308) 5.995 6.096 ( 0.781 -1.982 2.100) 2.992 6.633 ( -6.782 3.334 -20.457) 21.808 6.977 ( -3.252 -9.474 -3.206) 10.518 7.162 ( -0.248 3.902 12.655) 13.245 7.875 ( 14.159 -0.802 -0.579) 14.194 8.542 ( -4.632 -4.245 -1.653) 6.496 8.907 ( -7.208 2.327 0.152) 7.576 9.189 ( -1.687 -8.057 3.554) 8.966 9.871 ( 3.325 -6.285 5.574) 9.035 10.469 ( 13.004 8.260 6.024) 16.541 11.622 ( -0.529 -3.205 3.290) 4.623 12.529 ( 2.412 10.696 0.906) 11.002 13.462 ( 0.423 2.451 6.171) 6.653 14.033 ( 10.677 -2.142 1.246) 10.961 14.968 ( -15.216 -13.203 -1.228) 20.183 15.537 ( -6.156 18.041 -8.013) 20.678 17.336 ( -3.190 2.234 -4.046) 5.616 17.873 ( 9.350 -9.923 -6.988) 15.321 ======================= Grid point 232 (44/174) ======================= q-point: (-0.25 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -12.247 17.361 2.542) 21.398 2.572 ( -18.235 18.286 -5.683) 26.442 3.555 ( -2.376 4.981 7.346) 9.188 4.206 ( 3.879 -5.121 0.200) 6.428 4.529 ( 1.487 -6.852 -2.689) 7.510 4.696 ( 11.282 -15.964 5.028) 20.184 5.423 ( -0.219 7.771 4.968) 9.226 5.466 ( 1.266 -7.393 -9.063) 11.764 5.979 ( 2.300 3.023 -10.489) 11.156 6.118 ( 0.681 1.334 1.018) 1.811 6.533 ( -6.820 3.651 -20.699) 22.098 6.850 ( -0.080 -8.691 -4.675) 9.869 7.214 ( -0.167 4.668 11.420) 12.338 8.110 ( 11.652 2.596 1.747) 12.065 8.375 ( -6.158 -9.178 -4.303) 11.860 8.833 ( -3.138 1.109 -0.466) 3.361 9.103 ( 0.087 -5.185 5.609) 7.639 9.872 ( 3.787 -6.317 5.677) 9.299 10.726 ( 7.279 4.647 5.327) 10.147 11.560 ( -0.822 -4.632 2.444) 5.301 12.650 ( -1.512 10.502 5.878) 12.130 13.490 ( 1.258 -0.137 9.814) 9.895 14.128 ( 7.847 -9.832 10.711) 16.522 14.683 ( -7.093 -3.966 -11.177) 13.819 15.599 ( -10.706 22.539 -13.327) 28.288 17.314 ( -1.321 1.034 -2.648) 3.135 17.909 ( 8.072 -12.324 -6.647) 16.162 ======================= Grid point 244 (45/174) ======================= q-point: (-0.42 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -6.801 5.109 5.548) 10.155 3.181 ( -13.539 8.825 -0.033) 16.161 3.479 ( 5.271 -6.021 -4.320) 9.093 4.027 ( 4.338 -0.856 -0.172) 4.425 4.350 ( 5.808 -4.785 3.088) 8.134 4.660 ( -7.236 -12.189 -2.450) 14.385 5.298 ( 8.019 15.823 -0.329) 17.742 5.477 ( -2.353 -8.946 -4.901) 10.469 5.983 ( -2.873 1.772 -3.948) 5.195 6.079 ( 0.783 -0.882 0.969) 1.526 6.738 ( -2.387 1.553 -19.627) 19.833 6.937 ( -3.934 -9.853 -3.977) 11.330 7.281 ( -4.662 9.227 7.927) 13.027 7.616 ( 13.698 -0.751 0.726) 13.738 8.570 ( -3.230 -4.050 0.592) 5.214 9.030 ( -8.121 -5.853 -0.398) 10.018 9.155 ( -0.398 -2.463 4.153) 4.844 9.766 ( 0.706 -6.105 6.490) 8.938 10.378 ( 9.922 12.656 3.604) 16.481 11.603 ( -0.865 -2.706 3.385) 4.419 12.571 ( 4.799 10.478 3.150) 11.947 13.494 ( -0.840 1.919 7.316) 7.610 13.873 ( 6.014 0.168 1.431) 6.184 15.057 ( -12.402 -16.758 -3.664) 21.167 15.738 ( 3.119 16.592 -6.326) 18.029 17.444 ( -6.786 2.697 -5.125) 8.921 17.634 ( 7.577 -8.807 -8.092) 14.158 ======================= Grid point 245 (46/174) ======================= q-point: (-0.33 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -8.693 12.598 1.114) 15.346 3.014 ( -16.234 11.922 -5.233) 20.810 3.528 ( 5.116 -3.456 2.200) 6.554 4.092 ( 4.881 -2.680 0.830) 5.630 4.382 ( 7.352 -11.212 3.951) 13.978 4.448 ( -2.361 -12.666 0.779) 12.908 5.358 ( -0.093 -9.912 -6.444) 11.823 5.518 ( 1.117 11.774 3.309) 12.281 6.015 ( 0.988 7.458 -11.964) 14.133 6.130 ( 2.319 4.232 -0.874) 4.904 6.655 ( -6.062 -1.333 -21.488) 22.366 6.783 ( -2.741 -10.140 -7.873) 13.127 7.326 ( -3.519 12.240 10.378) 16.429 7.875 ( 16.527 0.644 0.376) 16.543 8.415 ( -7.613 -8.766 1.372) 11.691 8.849 ( -3.548 -8.444 0.015) 9.159 9.125 ( -3.094 2.772 4.892) 6.418 9.735 ( 3.438 -7.916 6.118) 10.579 10.671 ( 8.852 11.964 2.626) 15.112 11.530 ( -2.094 -6.342 2.166) 7.021 12.753 ( 2.677 12.331 11.078) 16.792 13.491 ( -0.980 0.678 9.306) 9.382 13.917 ( 5.096 -9.682 12.916) 16.928 14.753 ( -7.989 -8.464 -15.412) 19.313 15.946 ( -2.800 23.241 -11.620) 26.134 17.356 ( -3.994 -1.173 -5.031) 6.530 17.661 ( 7.204 -11.136 -6.443) 14.745 ======================= Grid point 246 (47/174) ======================= q-point: (-0.25 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -8.826 15.286 -0.804) 17.670 2.926 ( -9.828 17.023 -6.355) 20.658 3.559 ( 1.901 -3.293 4.101) 5.592 4.122 ( 2.066 -3.578 1.262) 4.320 4.357 ( 5.821 -10.081 0.221) 11.643 4.394 ( 8.222 -14.240 5.846) 17.452 5.305 ( 4.470 -7.743 -7.105) 11.420 5.577 ( -4.638 8.034 4.477) 10.300 6.085 ( -3.939 6.822 -14.951) 16.899 6.185 ( -2.303 3.988 -0.957) 4.704 6.584 ( -0.593 1.027 -22.926) 22.957 6.691 ( 4.189 -7.256 -7.717) 11.391 7.361 ( -6.028 10.441 9.651) 15.443 8.161 ( 4.378 -7.583 -6.376) 10.831 8.164 ( 1.293 -2.240 8.327) 8.719 8.775 ( 3.270 -5.664 0.785) 6.587 9.112 ( -2.883 4.994 4.958) 7.604 9.726 ( 4.920 -8.521 6.004) 11.527 10.826 ( -3.115 5.395 2.272) 6.631 11.463 ( 3.016 -5.224 1.479) 6.211 12.848 ( -5.588 9.679 14.522) 18.325 13.483 ( 0.133 -0.230 11.148) 11.151 13.900 ( 7.280 -12.609 18.177) 23.289 14.645 ( 0.347 -0.600 -22.483) 22.494 16.044 ( -12.912 22.364 -13.632) 29.201 17.311 ( 1.164 -2.016 -4.604) 5.159 17.666 ( 6.755 -11.700 -5.902) 14.743 ======================= Grid point 256 (48/174) ======================= q-point: (-0.42 0.58 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 3.018 5.227 0.447) 6.052 3.309 ( -3.584 -6.207 -8.956) 11.471 3.368 ( 3.329 5.765 4.594) 8.089 4.026 ( 0.437 0.757 1.274) 1.545 4.253 ( -2.737 -4.740 5.314) 7.628 4.409 ( -7.416 -12.846 0.082) 14.833 5.307 ( -4.522 -7.832 -5.502) 10.586 5.574 ( 6.526 11.304 3.044) 13.402 6.055 ( 3.332 5.771 -10.451) 12.395 6.119 ( 2.819 4.882 -4.510) 7.220 6.709 ( -2.795 -4.841 -23.116) 23.782 6.747 ( -5.436 -9.416 -6.324) 12.578 7.505 ( 6.431 11.138 10.860) 16.833 7.649 ( 3.344 5.791 -1.052) 6.770 8.439 ( -5.459 -9.456 2.952) 11.311 8.831 ( -6.118 -10.597 0.355) 12.241 9.183 ( 1.571 2.721 4.217) 5.259 9.653 ( -3.170 -5.491 6.192) 8.863 10.656 ( 8.647 14.977 1.706) 17.378 11.515 ( -3.673 -6.363 2.092) 7.639 12.792 ( 6.898 11.948 13.286) 19.154 13.513 ( 0.045 0.078 9.084) 9.084 13.814 ( -3.534 -6.120 12.990) 14.788 14.779 ( -6.357 -11.011 -16.602) 20.911 16.093 ( 10.915 18.906 -10.493) 24.221 17.416 ( -5.655 -9.794 -10.705) 15.572 17.505 ( -0.056 -0.097 -1.922) 1.926 ======================= Grid point 258 (49/174) ======================= q-point: (-0.33 0.58 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -3.037 10.850 -2.725) 11.592 3.166 ( -6.244 0.808 -7.268) 9.616 3.499 ( 3.234 3.391 3.373) 5.773 4.055 ( 3.072 -1.094 2.018) 3.835 4.183 ( 2.360 -8.288 5.906) 10.447 4.198 ( -1.745 -12.198 1.732) 12.443 5.197 ( -0.036 -5.990 -5.976) 8.461 5.709 ( -0.826 7.347 6.640) 9.937 6.198 ( 1.840 10.751 -17.207) 20.373 6.236 ( 2.608 6.637 -6.296) 9.512 6.575 ( -2.546 -7.441 -14.567) 16.554 6.591 ( -2.569 -9.002 -16.801) 19.233 7.607 ( -7.326 15.876 6.814) 18.766 7.895 ( 17.562 1.183 1.553) 17.670 8.208 ( -8.861 -12.454 5.261) 16.164 8.681 ( -0.682 -7.121 1.036) 7.228 9.230 ( -2.208 7.141 4.406) 8.676 9.567 ( 2.108 -9.208 5.637) 11.001 10.916 ( 3.916 12.922 0.850) 13.529 11.375 ( -2.030 -9.608 0.949) 9.866 13.002 ( 1.636 12.926 22.151) 25.699 13.496 ( -1.962 0.010 10.696) 10.875 13.682 ( 1.868 -13.337 17.933) 22.426 14.642 ( -1.958 -3.285 -26.596) 26.870 16.410 ( -0.874 23.947 -12.435) 26.998 17.213 ( -1.003 -14.456 -9.977) 17.593 17.516 ( 2.074 -2.797 -1.866) 3.950 ======================= Grid point 271 (50/174) ======================= q-point: (-0.33 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -3.950 -6.841 -5.238) 9.478 3.073 ( 3.950 6.841 -5.238) 9.478 3.583 ( 0.000 0.000 1.816) 1.816 4.047 ( -0.407 -0.705 2.500) 2.629 4.047 ( 0.407 0.705 2.500) 2.629 4.097 ( 0.000 0.000 6.500) 6.500 5.138 ( 0.000 0.000 -5.877) 5.877 5.783 ( 0.000 0.000 8.415) 8.415 6.372 ( -1.189 -2.059 -12.704) 12.924 6.372 ( 1.189 2.059 -12.704) 12.924 6.433 ( -1.811 -3.137 -17.215) 17.592 6.433 ( 1.811 3.137 -17.215) 17.592 7.859 ( -0.000 -0.000 -9.412) 9.412 7.950 ( -5.418 -9.385 11.903) 16.097 7.950 ( 5.418 9.385 11.903) 16.097 8.608 ( 0.000 0.000 0.967) 0.967 9.388 ( -4.455 -7.717 4.882) 10.161 9.388 ( 4.455 7.717 4.882) 10.161 11.162 ( -6.043 -10.467 0.401) 12.092 11.162 ( 6.043 10.467 0.402) 12.092 13.180 ( 0.000 0.000 34.174) 34.174 13.496 ( -0.387 -0.670 10.928) 10.955 13.496 ( 0.387 0.670 10.928) 10.955 14.612 ( 0.000 0.000 -29.838) 29.838 16.854 ( -10.651 -18.447 -11.773) 24.338 16.854 ( 10.651 18.447 -11.773) 24.338 17.498 ( 0.000 0.000 -0.872) 0.872 ======================= Grid point 314 (51/174) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 -0.000 33.768) 33.768 1.402 ( -0.000 0.000 33.768) 33.768 2.193 ( 0.000 -0.000 53.031) 53.031 4.596 ( 0.000 -0.000 -12.452) 12.452 4.596 ( 0.000 0.000 -12.452) 12.452 4.984 ( 0.000 0.000 -9.046) 9.046 4.984 ( 0.000 0.000 -9.046) 9.046 6.108 ( 0.000 0.000 8.382) 8.382 6.124 ( 0.000 0.000 7.007) 7.007 6.597 ( 0.000 -0.000 -8.162) 8.162 6.597 ( 0.000 0.000 -8.162) 8.162 7.673 ( 0.000 0.000 10.980) 10.980 7.673 ( 0.000 0.000 10.980) 10.980 7.759 ( 0.000 -0.000 -5.067) 5.067 8.395 ( 0.000 0.000 -14.849) 14.849 8.476 ( 0.000 0.000 0.681) 0.681 9.515 ( 0.000 0.000 2.342) 2.342 9.515 ( 0.000 0.000 2.342) 2.342 11.483 ( 0.000 -0.000 -4.258) 4.258 11.483 ( -0.000 0.000 -4.258) 4.258 13.492 ( 0.000 0.000 -5.014) 5.014 13.492 ( 0.000 0.000 -5.014) 5.014 13.642 ( 0.000 -0.000 1.603) 1.603 14.481 ( -0.000 0.000 5.610) 5.610 14.481 ( -0.000 0.000 5.610) 5.610 17.348 ( 0.000 0.000 4.839) 4.839 18.784 ( 0.000 0.000 -5.817) 5.817 ======================= Grid point 315 (52/174) ======================= q-point: ( 0.08 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 3.812 -2.935 32.406) 32.761 1.523 ( 4.629 11.719 31.025) 33.487 2.457 ( 21.114 9.997 44.420) 50.189 4.514 ( -3.329 -5.009 -10.817) 12.376 4.579 ( -3.669 0.272 -11.186) 11.776 5.010 ( 2.548 5.182 -9.677) 11.269 5.125 ( 9.619 3.222 -8.795) 13.426 5.846 ( -11.777 -16.600 5.251) 21.020 6.001 ( -8.641 -6.071 7.864) 13.167 6.554 ( -8.340 8.512 -7.728) 14.203 6.717 ( 2.221 0.066 -5.438) 5.875 7.500 ( -8.624 -5.110 6.243) 11.809 7.656 ( -2.117 0.711 9.999) 10.245 7.917 ( 8.116 3.430 0.603) 8.832 8.358 ( -2.777 -0.081 -13.145) 13.436 8.507 ( 2.776 1.312 0.692) 3.148 9.492 ( -0.640 -3.157 2.309) 3.963 9.701 ( 11.852 9.684 -2.902) 15.578 11.418 ( -0.565 -3.769 -4.126) 5.617 11.578 ( 3.237 3.402 -2.540) 5.338 12.788 ( -33.195 -19.769 14.791) 41.370 13.466 ( 6.762 -17.416 -4.276) 19.166 14.103 ( 8.069 25.783 -13.127) 30.037 14.351 ( -3.567 -2.329 4.260) 6.024 14.735 ( 13.435 6.162 5.312) 15.707 17.328 ( -1.551 -1.306 3.974) 4.461 18.684 ( -8.413 -3.931 -3.934) 10.085 ======================= Grid point 316 (53/174) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 14.259 8.197 18.509) 24.761 1.782 ( 10.383 14.634 25.434) 31.126 2.963 ( 24.402 10.739 32.810) 42.277 4.407 ( -2.237 -7.558 -9.045) 11.997 4.517 ( -4.534 2.412 -9.656) 10.937 5.113 ( 2.307 4.219 -5.932) 7.636 5.319 ( 8.083 3.070 -3.894) 9.483 5.591 ( -0.250 -10.425 -8.953) 13.744 5.727 ( -13.104 -11.118 7.298) 18.670 6.451 ( -11.088 3.422 -7.655) 13.902 6.622 ( -11.101 0.032 -0.474) 11.111 7.340 ( -7.264 0.166 6.393) 9.678 7.617 ( -3.555 0.406 10.239) 10.847 8.040 ( 3.197 0.245 -0.238) 3.216 8.340 ( 0.069 2.464 -10.958) 11.232 8.588 ( 4.727 2.027 0.702) 5.191 9.439 ( -1.260 -3.875 2.415) 4.737 9.962 ( 6.316 9.103 -4.461) 11.944 11.325 ( -7.654 -7.647 4.716) 11.803 11.638 ( 3.662 -2.012 1.477) 4.432 12.222 ( -10.762 -14.749 7.752) 19.836 13.407 ( 4.649 -13.592 -3.643) 14.820 14.271 ( -3.654 -1.798 3.255) 5.213 14.437 ( 6.717 19.032 -15.518) 25.458 15.009 ( 10.015 9.457 6.931) 15.420 17.275 ( -2.253 -2.754 1.661) 3.927 18.463 ( -12.195 -4.758 -3.597) 13.575 ======================= Grid point 317 (54/174) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 20.155 15.349 4.109) 25.665 2.134 ( 13.802 15.036 19.415) 28.169 3.411 ( 16.980 6.673 22.182) 28.721 4.287 ( -3.037 -7.968 -6.650) 10.814 4.483 ( -2.401 2.524 -10.035) 10.622 5.106 ( -2.220 -6.101 4.091) 7.674 5.377 ( -11.084 -14.397 5.862) 19.092 5.437 ( 0.887 7.277 -10.066) 12.453 5.660 ( 8.920 2.405 -15.098) 17.701 6.262 ( -9.197 -4.243 -7.408) 12.548 6.439 ( -11.851 5.125 2.203) 13.099 7.253 ( -6.967 5.804 5.129) 10.418 7.537 ( -5.867 -0.320 11.022) 12.490 8.010 ( -4.205 -3.814 -4.091) 6.997 8.412 ( 4.133 3.380 -5.313) 7.532 8.704 ( 6.167 3.291 0.877) 7.045 9.382 ( -0.949 -3.807 2.547) 4.678 10.077 ( -1.302 6.947 -1.217) 7.172 10.998 ( -15.128 -14.211 16.219) 26.341 11.689 ( 5.270 -3.884 2.599) 7.044 12.100 ( 5.221 -8.142 -7.658) 12.336 13.373 ( 4.993 -9.679 -2.438) 11.161 14.166 ( -3.860 -6.923 3.569) 8.693 14.729 ( 7.330 16.366 -16.599) 24.436 15.262 ( 6.901 13.665 9.585) 18.062 17.210 ( -1.399 -3.483 -1.897) 4.206 18.192 ( -14.135 -5.192 -5.715) 16.106 ======================= Grid point 318 (55/174) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 19.958 16.495 -1.149) 25.918 2.518 ( 14.577 14.213 12.041) 23.653 3.619 ( 3.498 0.326 11.528) 12.052 4.149 ( -4.625 -7.367 -4.249) 9.681 4.472 ( -0.416 -1.218 -9.481) 9.568 4.922 ( -11.340 -6.650 4.046) 13.755 5.130 ( -0.049 -13.835 4.128) 14.438 5.526 ( -2.640 10.929 -12.042) 16.475 5.822 ( 5.455 3.727 -6.198) 9.059 6.133 ( -0.978 -2.735 -12.594) 12.925 6.357 ( -5.137 8.820 2.977) 10.633 7.198 ( -8.518 8.735 2.558) 12.466 7.427 ( -5.536 -1.597 10.331) 11.830 7.853 ( -7.955 -6.065 -3.763) 10.688 8.511 ( 4.334 1.451 -1.822) 4.920 8.863 ( 7.517 5.608 1.363) 9.477 9.336 ( -0.583 -3.193 2.759) 4.259 10.077 ( -5.204 5.494 2.153) 7.867 10.624 ( -11.772 -14.439 13.820) 23.196 11.719 ( 1.965 -2.646 4.696) 5.737 12.150 ( 10.126 -10.276 -11.762) 18.614 13.394 ( 6.916 -6.397 -0.641) 9.442 14.010 ( -4.895 -9.711 4.930) 11.940 14.985 ( 5.799 12.807 -17.297) 22.290 15.505 ( 4.779 15.750 11.765) 20.231 17.173 ( 0.932 -2.838 -6.642) 7.283 17.896 ( -14.620 -5.500 -8.117) 17.603 ======================= Grid point 319 (56/174) ======================= q-point: ( 0.42 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 9.749 11.301 12.195) 19.274 2.939 ( 16.673 13.701 -8.043) 23.030 3.565 ( -6.794 -3.357 4.784) 8.962 3.998 ( -4.449 -6.494 -3.462) 8.600 4.410 ( -2.240 -7.229 -1.285) 7.676 4.721 ( -4.405 -3.750 -3.267) 6.644 5.056 ( 2.389 -7.344 1.770) 7.923 5.535 ( -5.566 6.184 -6.252) 10.407 5.931 ( 2.871 5.491 -4.619) 7.728 6.137 ( -0.659 2.831 -12.951) 13.273 6.435 ( 1.423 10.245 -0.052) 10.343 7.134 ( -8.835 9.197 0.285) 12.757 7.340 ( -2.189 -2.753 5.891) 6.861 7.656 ( -7.450 -5.499 1.323) 9.354 8.577 ( 2.916 -0.565 -0.216) 2.978 9.049 ( 6.741 6.434 1.195) 9.395 9.298 ( -0.882 -2.298 3.884) 4.598 10.030 ( -6.197 5.622 5.168) 9.835 10.345 ( -5.211 -12.383 8.090) 15.683 11.712 ( 0.273 -1.810 5.682) 5.970 12.214 ( 10.531 -13.109 -11.756) 20.517 13.482 ( 9.535 -4.097 1.027) 10.428 13.824 ( -5.243 -10.579 6.329) 13.396 15.157 ( 1.220 9.963 -17.430) 20.113 15.708 ( 1.494 13.715 13.995) 19.652 17.197 ( 4.028 -0.397 -12.864) 13.486 17.611 ( -12.471 -5.039 -8.624) 15.978 ======================= Grid point 320 (57/174) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -2.478 4.293 10.805) 11.888 3.228 ( -1.270 2.200 -15.619) 15.824 3.410 ( -1.055 1.828 9.823) 10.048 3.919 ( 1.732 -3.000 -3.767) 5.118 4.334 ( 3.009 -5.211 4.472) 7.497 4.677 ( 1.324 -2.294 -8.383) 8.792 5.045 ( 2.609 -4.519 1.210) 5.356 5.508 ( -3.210 5.561 -4.432) 7.802 5.994 ( -2.125 3.681 -6.422) 7.701 6.143 ( -2.594 4.493 -10.585) 11.788 6.512 ( -4.385 7.596 -0.952) 8.823 7.105 ( -6.333 10.969 -0.816) 12.692 7.302 ( 2.593 -4.492 0.130) 5.188 7.555 ( -0.169 0.293 7.184) 7.192 8.598 ( 1.108 -1.919 0.293) 2.235 9.160 ( -1.126 1.950 -1.610) 2.768 9.267 ( 0.258 -0.446 7.278) 7.296 10.000 ( -4.214 7.299 6.961) 10.931 10.237 ( 4.593 -7.955 4.741) 10.337 11.704 ( 0.674 -1.167 5.879) 6.031 12.240 ( 8.682 -15.038 -11.410) 20.778 13.606 ( 5.499 -9.525 -4.478) 11.875 13.663 ( 1.908 -3.305 13.084) 13.629 15.216 ( -4.183 7.246 -17.398) 19.305 15.792 ( -5.201 9.009 15.308) 18.508 17.265 ( 0.646 -1.118 -21.039) 21.078 17.441 ( -0.499 0.863 -3.537) 3.675 ======================= Grid point 328 (58/174) ======================= q-point: ( 0.08 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.479 12.955 20.309) 25.223 1.778 ( 8.316 14.404 25.042) 30.062 2.793 ( 12.939 22.411 37.866) 45.865 4.383 ( -4.230 -7.327 -9.435) 12.672 4.576 ( -0.372 -0.645 -10.429) 10.456 5.117 ( 1.534 2.656 -0.506) 3.109 5.252 ( 5.459 9.456 -10.408) 15.085 5.542 ( -5.199 -9.004 -5.322) 11.680 5.784 ( -8.839 -15.310 6.801) 18.942 6.568 ( -4.094 -7.091 -7.381) 11.024 6.727 ( -1.023 -1.772 0.082) 2.048 7.401 ( -2.130 -3.688 8.192) 9.233 7.652 ( -0.407 -0.705 5.711) 5.769 8.018 ( 3.136 5.431 1.227) 6.391 8.351 ( -0.305 -0.529 -10.811) 10.828 8.556 ( 2.123 3.678 0.461) 4.272 9.415 ( -2.626 -4.549 2.045) 5.637 9.960 ( 8.251 14.290 -5.550) 17.409 11.357 ( -1.264 -2.189 -4.589) 5.239 11.572 ( -4.371 -7.571 8.590) 12.256 12.267 ( -13.297 -23.031 9.558) 28.259 13.283 ( -2.517 -4.359 -3.416) 6.084 14.255 ( -2.952 -5.113 2.950) 6.600 14.547 ( 9.754 16.894 -11.676) 22.735 14.942 ( 8.172 14.154 3.036) 16.623 17.280 ( -2.009 -3.479 2.184) 4.573 18.548 ( -5.509 -9.541 -2.530) 11.304 ======================= Grid point 329 (59/174) ======================= q-point: ( 0.17 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 15.660 20.343 4.998) 26.155 2.082 ( 10.414 15.732 19.611) 27.213 3.237 ( 15.315 16.081 28.420) 36.067 4.248 ( -2.820 -8.085 -7.976) 11.702 4.547 ( -2.735 -0.343 -9.994) 10.367 5.071 ( -2.012 -5.864 8.431) 10.465 5.399 ( -5.456 -10.129 -0.053) 11.506 5.488 ( -0.670 2.410 -5.398) 5.949 5.574 ( 6.305 6.977 -18.022) 20.327 6.350 ( -9.590 -11.274 -5.580) 15.818 6.629 ( -6.972 -1.160 4.714) 8.495 7.367 ( -1.779 2.615 8.241) 8.827 7.623 ( -3.247 -0.022 4.476) 5.530 8.073 ( -2.603 2.551 0.881) 3.750 8.356 ( 2.647 -1.091 -7.939) 8.440 8.649 ( 4.395 4.236 0.383) 6.116 9.325 ( -0.893 -7.329 2.300) 7.734 10.181 ( 2.002 11.691 -3.243) 12.297 11.153 ( -18.856 -11.798 15.067) 26.865 11.438 ( 9.916 -13.728 1.631) 17.013 12.052 ( -2.105 -2.648 -6.997) 7.772 13.232 ( 1.744 -5.499 -2.285) 6.205 14.136 ( -3.234 -8.608 5.253) 10.590 14.825 ( 4.522 17.660 -11.462) 21.534 15.240 ( 10.249 13.758 1.830) 17.253 17.203 ( -2.267 -4.289 -1.000) 4.953 18.328 ( -9.652 -9.039 -2.842) 13.525 ======================= Grid point 330 (60/174) ======================= q-point: ( 0.25 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 17.915 21.191 -3.522) 27.972 2.426 ( 12.705 14.459 14.379) 24.026 3.554 ( 7.636 7.100 18.410) 21.158 4.130 ( -2.327 -7.767 -6.290) 10.262 4.474 ( -3.069 -4.580 -9.171) 10.700 5.004 ( -5.659 -5.718 4.202) 9.076 5.042 ( -6.230 -14.821 5.646) 17.040 5.661 ( 2.444 13.187 -13.736) 19.198 5.767 ( 5.453 7.463 -11.692) 14.904 6.106 ( -3.508 -9.969 -8.148) 13.344 6.526 ( -5.817 3.985 7.940) 10.619 7.370 ( -3.229 5.624 6.979) 9.527 7.535 ( -6.881 -0.151 4.112) 8.017 7.974 ( -9.669 -0.186 -0.546) 9.687 8.416 ( 5.851 -2.605 -3.587) 7.341 8.790 ( 6.960 5.327 1.144) 8.839 9.250 ( 1.593 -9.015 2.532) 9.499 10.254 ( -4.901 9.466 1.561) 10.773 10.722 ( -15.913 -13.225 14.639) 25.347 11.514 ( 11.462 -11.047 -0.778) 15.938 12.025 ( 0.234 -1.517 -10.912) 11.020 13.234 ( 4.597 -4.995 -1.031) 6.866 13.981 ( -4.057 -10.612 6.747) 13.213 15.055 ( 3.465 15.695 -12.034) 20.079 15.539 ( 8.697 14.584 3.107) 17.262 17.135 ( -0.635 -3.998 -5.348) 6.707 18.057 ( -12.141 -8.616 -4.380) 15.518 ======================= Grid point 331 (61/174) ======================= q-point: ( 0.33 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 12.381 11.819 11.000) 20.346 2.810 ( 16.084 17.026 -7.837) 24.698 3.626 ( -2.293 0.323 10.141) 10.402 4.009 ( -3.931 -6.685 -4.318) 8.876 4.361 ( -2.289 -9.287 -5.593) 11.080 4.684 ( -6.112 -17.467 1.892) 18.602 5.038 ( 0.095 3.937 1.452) 4.197 5.678 ( -7.405 0.635 -5.273) 9.112 5.915 ( 5.894 7.153 -7.035) 11.636 6.134 ( 5.196 4.704 -19.513) 20.734 6.536 ( -0.836 10.274 10.143) 14.461 7.343 ( -7.176 4.862 1.564) 8.808 7.419 ( -6.142 1.549 5.190) 8.189 7.775 ( -11.562 -2.220 2.031) 11.947 8.483 ( 5.523 -3.960 -1.147) 6.892 8.975 ( 7.910 5.257 2.117) 9.731 9.209 ( 3.962 -8.595 3.031) 9.938 10.220 ( -7.221 4.507 8.013) 11.690 10.386 ( -11.847 -6.290 5.761) 14.598 11.580 ( 8.330 -10.197 2.155) 13.342 12.023 ( 2.513 -3.744 -13.206) 13.954 13.291 ( 7.487 -4.203 0.193) 8.588 13.800 ( -4.654 -10.982 7.982) 14.352 15.235 ( 1.720 11.932 -13.032) 17.753 15.800 ( 4.911 14.483 6.009) 16.431 17.118 ( 2.900 -2.788 -10.944) 11.660 17.766 ( -12.604 -7.498 -5.577) 15.691 ======================= Grid point 332 (62/174) ======================= q-point: ( 0.42 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 5.526 5.974 7.906) 11.346 3.174 ( 10.505 8.731 -11.107) 17.605 3.533 ( -7.855 1.399 9.189) 12.170 3.887 ( -2.431 -4.696 -4.107) 6.695 4.232 ( -0.126 -9.905 2.587) 10.238 4.516 ( 4.016 -14.299 -4.611) 15.552 5.078 ( -1.836 6.083 -0.516) 6.375 5.572 ( -2.597 -2.189 -2.226) 4.061 6.054 ( 1.225 6.770 -9.384) 11.636 6.227 ( -0.956 5.923 -16.742) 17.784 6.663 ( -0.877 13.371 8.088) 15.651 7.270 ( -3.273 3.275 -2.198) 5.125 7.338 ( -8.150 4.388 0.153) 9.257 7.600 ( -5.494 -0.712 9.978) 11.413 8.520 ( 4.062 -5.009 0.012) 6.449 9.096 ( 4.819 -4.055 0.715) 6.339 9.238 ( 4.024 -0.557 5.674) 6.979 10.096 ( -2.564 -7.410 12.515) 14.769 10.246 ( -8.303 9.816 -1.310) 12.923 11.601 ( 5.747 -9.259 4.244) 11.695 12.031 ( 3.772 -5.813 -14.234) 15.831 13.394 ( 8.953 -5.053 -0.343) 10.287 13.629 ( -3.173 -8.657 10.016) 13.614 15.335 ( -1.604 8.068 -13.654) 15.940 15.961 ( -1.755 12.016 8.974) 15.099 17.176 ( 6.096 -2.814 -18.225) 19.422 17.520 ( -8.658 -3.207 -3.521) 9.881 ======================= Grid point 341 (63/174) ======================= q-point: ( 0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 14.138 24.488 -3.957) 28.552 2.386 ( 9.013 15.611 14.379) 23.059 3.522 ( 6.726 11.649 21.248) 25.148 4.106 ( -3.758 -6.509 -6.733) 10.091 4.479 ( -3.685 -6.383 -8.401) 11.175 5.016 ( 0.393 0.680 4.874) 4.937 5.033 ( -12.058 -20.886 4.874) 24.604 5.680 ( 6.421 11.121 -11.064) 16.951 5.789 ( 7.744 13.413 -19.318) 24.760 6.080 ( -8.756 -15.167 -3.583) 17.876 6.597 ( -0.518 -0.898 9.096) 9.154 7.422 ( 1.462 2.533 8.679) 9.159 7.601 ( -1.475 -2.554 1.292) 3.219 8.098 ( -0.860 -1.490 3.214) 3.646 8.318 ( -0.892 -1.544 -6.243) 6.492 8.752 ( 3.813 6.605 0.658) 7.655 9.181 ( -4.004 -6.935 3.121) 8.594 10.350 ( 2.449 4.242 3.557) 6.053 10.840 ( -9.944 -17.224 13.162) 23.849 11.303 ( -0.648 -1.122 -4.833) 5.003 12.024 ( -0.762 -1.320 -9.570) 9.691 13.167 ( -0.839 -1.454 -0.665) 1.805 13.961 ( -5.395 -9.344 6.900) 12.807 15.115 ( 7.202 12.475 -7.106) 16.062 15.527 ( 8.925 15.459 -3.229) 18.140 17.121 ( -2.261 -3.916 -4.843) 6.626 18.120 ( -7.037 -12.188 -2.726) 14.335 ======================= Grid point 342 (64/174) ======================= q-point: ( 0.25 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 10.223 12.484 9.924) 18.943 2.737 ( 13.739 19.963 -8.077) 25.544 3.654 ( 0.723 2.745 14.396) 14.673 3.995 ( -2.345 -6.032 -5.405) 8.432 4.330 ( -4.527 -8.902 -6.206) 11.758 4.638 ( -10.226 -20.097 4.251) 22.946 5.073 ( 1.898 5.564 0.667) 5.917 5.777 ( -9.005 -10.156 -0.643) 13.589 5.898 ( 6.004 10.766 -13.439) 18.236 6.079 ( 9.272 10.937 -19.700) 24.365 6.625 ( 1.003 7.014 12.206) 14.114 7.453 ( -1.422 2.776 7.242) 7.885 7.521 ( -4.897 -1.490 0.646) 5.159 7.978 ( -11.567 -0.316 2.949) 11.941 8.329 ( 5.722 -5.766 -2.493) 8.497 8.908 ( 6.406 6.778 2.171) 9.575 9.071 ( 0.433 -8.364 3.883) 9.231 10.297 ( -6.293 -8.488 14.478) 17.924 10.598 ( -9.615 3.217 -0.939) 10.183 11.329 ( 7.356 -7.618 -4.172) 11.382 11.994 ( -0.807 -1.867 -10.018) 10.222 13.172 ( 2.977 -1.438 0.782) 3.398 13.777 ( -5.062 -10.238 8.010) 13.950 15.313 ( 3.045 10.548 -5.441) 12.253 15.825 ( 8.439 14.887 -4.950) 17.814 17.062 ( -0.188 -3.543 -9.676) 10.306 17.868 ( -9.345 -10.431 -2.722) 14.267 ======================= Grid point 343 (65/174) ======================= q-point: ( 0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 8.864 7.593 6.009) 13.127 3.091 ( 9.712 10.350 -10.255) 17.510 3.643 ( -2.767 2.192 11.269) 11.809 3.898 ( -3.346 -4.604 -3.729) 6.805 4.164 ( -3.910 -10.128 -1.597) 10.973 4.345 ( -2.123 -16.344 0.786) 16.500 5.161 ( 0.346 7.300 -1.824) 7.532 5.571 ( -4.008 -8.252 -0.348) 9.181 6.084 ( 4.086 8.776 -13.200) 16.369 6.280 ( 2.585 7.702 -19.610) 21.226 6.782 ( 3.820 15.603 11.609) 19.820 7.381 ( -6.737 0.954 -1.931) 7.073 7.478 ( -2.548 2.536 6.395) 7.336 7.748 ( -13.156 -1.219 5.701) 14.390 8.370 ( 6.277 -7.357 -0.358) 9.677 8.973 ( 2.270 -7.315 3.116) 8.268 9.144 ( 8.306 5.178 5.190) 11.078 10.066 ( -6.169 -12.692 12.851) 19.086 10.523 ( -9.469 11.976 -2.387) 15.452 11.373 ( 8.022 -10.537 -2.413) 13.461 11.969 ( 0.270 -2.149 -10.576) 10.796 13.234 ( 5.780 -1.506 1.724) 6.217 13.600 ( -4.067 -9.501 8.737) 13.533 15.425 ( 0.099 7.287 -5.346) 9.039 16.073 ( 3.448 14.040 -3.905) 14.975 17.048 ( 3.484 -5.213 -15.807) 17.004 17.628 ( -8.660 -5.958 -1.416) 10.606 ======================= Grid point 344 (66/174) ======================= q-point: ( 0.42 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -0.419 0.725 3.699) 3.792 3.227 ( 1.124 -1.946 -11.059) 11.285 3.640 ( -4.356 7.545 11.736) 14.617 3.826 ( 0.729 -1.262 -3.806) 4.075 4.062 ( 4.021 -6.964 3.081) 8.611 4.254 ( 6.763 -11.715 -2.868) 13.828 5.203 ( -3.466 6.003 -2.691) 7.436 5.496 ( 2.576 -4.462 -0.193) 5.156 6.171 ( -2.834 4.908 -13.396) 14.546 6.329 ( -2.200 3.810 -17.709) 18.247 6.935 ( -7.817 13.539 8.841) 17.961 7.324 ( -2.167 3.753 -2.233) 4.875 7.448 ( -2.944 5.099 0.088) 5.888 7.611 ( -1.070 1.854 12.703) 12.882 8.388 ( 4.875 -8.443 0.289) 9.754 8.953 ( 4.616 -7.995 3.151) 9.754 9.267 ( -1.203 2.083 6.144) 6.598 9.929 ( 4.677 -8.100 11.286) 14.658 10.502 ( -8.204 14.209 -2.276) 16.564 11.389 ( 6.762 -11.712 -1.488) 13.605 11.961 ( 1.198 -2.076 -10.859) 11.121 13.297 ( 2.528 -4.379 1.146) 5.184 13.498 ( 2.850 -4.936 9.902) 11.425 15.461 ( -2.732 4.732 -5.421) 7.697 16.177 ( -6.032 10.448 -2.763) 12.377 17.059 ( 5.034 -8.719 -20.364) 22.717 17.513 ( -1.123 1.945 0.725) 2.361 ======================= Grid point 351 (67/174) ======================= q-point: (-0.08 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -4.932 8.543 27.313) 29.040 1.586 ( -6.561 11.364 27.328) 30.315 2.855 ( -14.197 24.589 33.959) 44.265 4.487 ( 3.056 -5.293 -8.971) 10.855 4.496 ( 0.887 -1.536 -9.651) 9.813 5.040 ( -1.825 3.162 -12.714) 13.228 5.292 ( -5.238 9.072 -3.746) 11.125 5.786 ( 2.155 -3.732 -1.165) 4.465 5.834 ( 7.028 -12.172 7.731) 16.041 6.332 ( 5.829 -10.097 -8.283) 14.301 6.635 ( 5.439 -9.420 -3.326) 11.374 7.343 ( 5.611 -9.719 4.642) 12.144 7.611 ( 1.492 -2.584 13.215) 13.548 8.049 ( -3.941 6.826 1.846) 8.096 8.302 ( 1.492 -2.585 -14.446) 14.751 8.568 ( -2.490 4.312 0.873) 5.055 9.473 ( 1.626 -2.816 3.202) 4.563 9.871 ( -5.428 9.401 -4.390) 11.709 11.428 ( 1.672 -2.895 1.635) 3.722 11.610 ( -1.167 2.022 -2.036) 3.098 12.408 ( 8.685 -15.043 14.000) 22.310 13.691 ( -1.550 2.685 0.590) 3.156 14.003 ( -0.824 1.427 -16.453) 16.535 14.388 ( -3.293 5.704 -2.874) 7.186 14.907 ( -4.451 7.709 9.346) 12.906 17.302 ( 1.106 -1.916 2.638) 3.443 18.510 ( 6.708 -11.619 -4.160) 14.047 ======================= Grid point 355 (68/174) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 5.915 10.245 5.412) 13.009 3.060 ( 6.949 12.036 -10.037) 17.144 3.675 ( 0.469 0.812 12.370) 12.405 3.898 ( -2.255 -3.906 -4.492) 6.366 4.160 ( -4.863 -8.424 -3.615) 10.377 4.279 ( -9.242 -16.008 3.788) 18.869 5.195 ( 3.638 6.302 -2.081) 7.568 5.563 ( -5.642 -9.772 0.322) 11.288 6.091 ( 5.264 9.118 -15.284) 18.560 6.295 ( 4.726 8.185 -19.922) 22.050 6.827 ( 8.186 14.179 12.174) 20.403 7.469 ( -1.794 -3.106 -0.687) 3.652 7.487 ( 0.233 0.404 7.991) 8.005 7.907 ( -4.741 -8.212 4.772) 10.616 8.237 ( -1.503 -2.602 -1.537) 3.375 8.911 ( -3.164 -5.481 4.359) 7.685 9.096 ( 5.884 10.192 5.136) 12.840 10.057 ( -7.990 -13.840 13.102) 20.665 10.698 ( 2.642 4.577 -2.506) 5.849 11.219 ( -2.198 -3.806 -5.225) 6.827 11.958 ( -0.916 -1.587 -9.268) 9.448 13.178 ( 1.134 1.964 2.555) 3.416 13.587 ( -5.280 -9.146 8.208) 13.375 15.461 ( 2.870 4.971 -1.121) 5.849 16.114 ( 8.389 14.530 -10.660) 19.878 16.989 ( -2.545 -4.408 -14.474) 15.343 17.675 ( -5.064 -8.771 -0.278) 10.132 ======================= Grid point 356 (69/174) ======================= q-point: ( 0.33 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 3.722 4.542 1.251) 6.004 3.180 ( 1.625 -0.340 -8.134) 8.302 3.735 ( 1.946 6.968 9.137) 11.654 3.839 ( -2.169 -1.198 -2.322) 3.396 3.989 ( -4.905 -7.542 1.333) 9.095 4.074 ( 1.384 -11.386 0.183) 11.471 5.291 ( 0.186 5.444 -3.460) 6.453 5.430 ( -0.982 -5.507 0.652) 5.632 6.237 ( 1.901 6.818 -16.264) 17.737 6.371 ( -0.146 1.364 -18.302) 18.353 7.130 ( 4.864 19.192 7.622) 21.215 7.409 ( -3.542 2.063 1.188) 4.268 7.491 ( 0.353 -0.995 5.655) 5.753 7.690 ( -9.389 -6.021 6.748) 13.036 8.220 ( 4.068 -6.993 -0.342) 8.097 8.835 ( 0.777 -5.481 4.794) 7.323 9.305 ( 4.431 10.542 7.435) 13.640 9.807 ( -3.599 -13.821 11.263) 18.189 10.755 ( -5.090 11.622 -3.423) 13.141 11.173 ( 4.633 -10.203 -4.579) 12.105 11.937 ( 0.002 -1.094 -8.910) 8.977 13.238 ( 2.904 1.933 3.808) 5.165 13.434 ( -2.418 -7.626 7.905) 11.247 15.519 ( -0.062 2.702 0.226) 2.712 16.353 ( 1.135 14.824 -12.445) 19.388 16.892 ( 1.198 -10.967 -18.395) 21.450 17.554 ( -2.701 -1.782 1.893) 3.749 ======================= Grid point 362 (70/174) ======================= q-point: (-0.17 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -13.174 14.839 13.940) 24.250 1.888 ( -15.421 9.609 21.383) 28.060 3.319 ( -13.734 18.814 23.921) 33.388 4.383 ( 3.379 -5.296 -5.873) 8.600 4.464 ( 2.000 0.924 -9.367) 9.622 5.105 ( -3.372 -1.378 -12.526) 13.045 5.424 ( -0.058 4.760 4.798) 6.759 5.560 ( 10.292 -9.797 6.954) 15.820 5.737 ( 5.466 8.616 -15.505) 18.561 6.178 ( -2.481 -15.425 -8.423) 17.749 6.410 ( 7.662 -10.951 -0.897) 13.395 7.166 ( 3.098 -10.661 3.392) 11.609 7.547 ( 2.572 -3.498 14.814) 15.437 8.119 ( 4.832 5.052 -2.421) 7.398 8.299 ( -6.288 -3.256 -9.537) 11.879 8.665 ( -3.686 4.570 0.911) 5.941 9.405 ( 1.988 -4.155 3.983) 6.089 10.004 ( -3.003 2.745 -1.647) 4.389 11.237 ( 14.087 -6.965 12.799) 20.267 11.656 ( -3.772 -1.841 -0.274) 4.206 12.288 ( 3.291 8.803 1.845) 9.577 13.620 ( 11.504 9.368 0.257) 14.838 14.101 ( -10.031 -9.950 -11.876) 18.458 14.570 ( -6.747 13.498 -10.958) 18.649 15.039 ( -8.326 -1.101 14.426) 16.693 17.260 ( 2.110 -0.877 0.073) 2.286 18.258 ( 9.047 -12.399 -6.663) 16.733 ======================= Grid point 368 (71/174) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -1.498 -2.594 -3.304) 4.460 3.138 ( 1.498 2.594 -3.304) 4.460 3.843 ( 0.000 0.000 -0.753) 0.753 3.872 ( -0.000 -0.000 7.207) 7.207 3.900 ( -1.278 -2.214 0.720) 2.656 3.900 ( 1.278 2.214 0.720) 2.656 5.348 ( -0.000 -0.000 -3.949) 3.949 5.375 ( -0.000 -0.000 0.917) 0.917 6.343 ( -1.913 -3.313 -17.823) 18.229 6.343 ( 1.913 3.313 -17.823) 18.229 7.450 ( -2.153 -3.729 -2.377) 4.919 7.450 ( 2.153 3.729 -2.377) 4.919 7.484 ( -6.771 -11.728 12.926) 18.722 7.484 ( 6.771 11.728 12.926) 18.722 8.146 ( -0.000 -0.000 -0.569) 0.569 8.780 ( -0.000 -0.000 5.275) 5.275 9.540 ( -6.655 -11.527 9.843) 16.554 9.540 ( 6.655 11.527 9.843) 16.554 10.972 ( -5.346 -9.259 -4.599) 11.639 10.972 ( 5.346 9.259 -4.599) 11.639 11.927 ( -0.000 -0.000 -8.353) 8.353 13.308 ( -2.581 -4.470 6.050) 7.953 13.308 ( 2.581 4.470 6.050) 7.953 15.543 ( -0.000 -0.000 1.858) 1.858 16.640 ( -7.169 -12.417 -17.011) 22.248 16.640 ( 7.169 12.417 -17.011) 22.248 17.541 ( -0.000 -0.000 2.605) 2.605 ======================= Grid point 375 (72/174) ======================= q-point: (-0.25 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -19.757 14.792 2.657) 24.823 2.260 ( -17.756 8.493 15.807) 25.244 3.616 ( -4.689 8.167 13.535) 16.489 4.264 ( 5.754 -3.456 -3.293) 7.476 4.459 ( -0.385 0.683 -8.706) 8.741 5.025 ( 8.234 -10.117 -0.143) 13.045 5.361 ( 1.452 -1.428 -4.719) 5.140 5.404 ( 7.271 2.060 1.669) 7.740 5.784 ( -1.290 4.382 -10.821) 11.746 6.130 ( -5.462 -7.542 -15.025) 17.677 6.222 ( 3.332 -6.354 2.506) 7.599 7.036 ( -0.940 -12.616 1.386) 12.727 7.465 ( 3.524 -2.164 14.500) 15.078 8.008 ( 10.421 1.161 -7.120) 12.674 8.415 ( -8.553 -1.550 -2.091) 8.941 8.780 ( -5.264 3.809 0.823) 6.550 9.335 ( 0.715 -5.225 4.817) 7.142 10.032 ( 0.438 -0.962 1.820) 2.104 10.903 ( 17.446 -3.897 13.327) 22.297 11.686 ( -3.031 -4.079 1.370) 5.263 12.384 ( 2.784 18.005 -2.966) 18.459 13.550 ( 6.669 8.326 0.250) 10.670 14.101 ( 0.311 -6.189 -5.504) 8.288 14.817 ( -7.353 9.188 -11.774) 16.647 15.203 ( -15.005 -3.800 12.168) 19.689 17.222 ( 1.995 0.536 -3.644) 4.189 17.974 ( 10.127 -12.410 -9.505) 18.626 ======================= Grid point 376 (73/174) ======================= q-point: (-0.17 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -11.451 19.833 7.245) 24.020 2.139 ( -8.918 15.446 14.841) 23.203 3.617 ( -5.922 10.258 14.345) 18.604 4.280 ( 2.817 -4.879 -3.636) 6.706 4.480 ( -0.157 0.272 -6.147) 6.155 5.016 ( 5.226 -9.051 -8.790) 13.656 5.379 ( 3.801 -6.583 0.492) 7.617 5.490 ( -0.498 0.863 6.181) 6.261 5.906 ( 5.481 -9.494 -7.856) 13.487 5.915 ( -4.428 7.670 -21.016) 22.805 6.241 ( 3.313 -5.738 0.520) 6.646 6.959 ( 5.786 -10.022 0.892) 11.607 7.487 ( 1.495 -2.590 14.928) 15.225 8.183 ( 2.265 -3.924 -14.232) 14.936 8.251 ( -2.059 3.566 4.332) 5.976 8.756 ( -2.664 4.614 0.773) 5.384 9.308 ( 2.902 -5.026 5.911) 8.283 10.036 ( 0.044 -0.077 1.980) 1.982 11.056 ( 6.283 -10.883 12.625) 17.813 11.617 ( 1.007 -1.743 -0.287) 2.033 12.507 ( -7.245 12.550 1.219) 14.542 13.714 ( 0.125 -0.217 9.128) 9.131 13.983 ( 0.921 -1.596 -21.964) 22.041 14.897 ( -10.736 18.595 -15.097) 26.248 14.976 ( 2.393 -4.145 21.171) 21.706 17.242 ( 0.528 -0.915 -2.563) 2.772 17.998 ( 8.113 -14.052 -9.980) 19.050 ======================= Grid point 388 (74/174) ======================= q-point: (-0.33 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -16.078 6.339 12.891) 21.560 2.681 ( -20.538 11.514 -5.001) 24.071 3.636 ( 4.948 -1.447 4.963) 7.156 4.123 ( 7.696 -1.832 -2.071) 8.177 4.466 ( -0.070 -1.702 -6.307) 6.533 4.749 ( 8.644 -11.188 3.885) 14.662 5.295 ( 9.741 9.988 -0.126) 13.952 5.385 ( -4.488 -7.039 -8.843) 12.161 5.834 ( -4.364 -1.520 -3.867) 6.025 6.122 ( 1.866 -1.143 -8.517) 8.794 6.253 ( -9.111 -1.370 -8.843) 12.770 6.946 ( -3.322 -13.395 -0.289) 13.804 7.406 ( 2.841 2.007 11.913) 12.410 7.816 ( 12.404 -0.219 -5.083) 13.407 8.528 ( -6.114 -1.355 0.317) 6.271 8.914 ( -7.660 0.830 0.533) 7.723 9.285 ( -0.607 -4.449 5.927) 7.436 9.982 ( 2.159 -4.004 4.916) 6.698 10.613 ( 15.359 2.310 8.000) 17.471 11.683 ( -2.055 -4.904 2.300) 5.793 12.505 ( 5.823 20.830 -3.054) 21.843 13.563 ( 0.988 7.778 2.291) 8.168 13.990 ( 7.205 -2.609 -0.640) 7.689 14.966 ( -7.930 -4.151 -6.329) 10.963 15.458 ( -14.271 2.573 4.420) 15.160 17.208 ( 0.322 0.841 -8.989) 9.034 17.691 ( 9.629 -10.704 -10.530) 17.838 ======================= Grid point 389 (75/174) ======================= q-point: (-0.25 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -12.461 11.323 9.874) 19.519 2.516 ( -14.870 17.174 0.349) 22.720 3.690 ( 2.244 -0.623 5.615) 6.079 4.191 ( 3.287 -3.508 -1.343) 4.991 4.457 ( 2.146 -2.402 -3.864) 5.031 4.769 ( 8.352 -14.887 0.997) 17.099 5.294 ( 0.843 -5.171 -6.947) 8.701 5.492 ( 2.757 5.991 2.531) 7.064 5.780 ( 0.741 -2.281 -8.767) 9.089 6.083 ( -6.807 1.534 -23.524) 24.537 6.186 ( 1.010 1.751 4.087) 4.559 6.792 ( 1.067 -12.021 -1.186) 12.127 7.457 ( 0.950 1.328 12.299) 12.407 8.038 ( 11.491 1.471 -8.333) 14.270 8.361 ( -8.905 -3.472 2.653) 9.919 8.835 ( -2.935 1.158 0.571) 3.207 9.234 ( 0.148 -3.643 7.410) 8.258 9.991 ( 2.902 -4.161 5.331) 7.359 10.853 ( 9.991 -1.041 7.023) 12.256 11.586 ( -1.478 -5.799 0.021) 5.984 12.746 ( -2.327 18.885 4.056) 19.456 13.676 ( 4.512 4.389 6.943) 9.372 13.979 ( -2.304 -5.309 -15.838) 16.863 14.850 ( 2.262 -9.056 18.378) 20.613 15.307 ( -14.502 16.993 -14.346) 26.549 17.220 ( 1.198 -1.380 -6.873) 7.112 17.727 ( 8.186 -12.451 -11.033) 18.540 ======================= Grid point 401 (76/174) ======================= q-point: (-0.42 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -8.557 0.621 10.719) 13.729 3.078 ( -14.917 5.489 -10.675) 19.147 3.477 ( 8.797 -3.711 4.330) 10.484 3.998 ( 5.257 0.731 -2.324) 5.794 4.410 ( 3.159 -1.783 2.809) 4.588 4.597 ( -2.513 -9.609 -3.063) 10.394 5.259 ( 8.627 13.609 -2.863) 16.365 5.370 ( -3.898 -8.945 -5.810) 11.356 5.915 ( -5.046 -0.646 -4.017) 6.482 6.080 ( 0.611 -3.122 -6.276) 7.036 6.372 ( -6.146 -3.428 -11.456) 13.445 6.894 ( -5.373 -11.996 -0.922) 13.177 7.424 ( 1.542 9.027 6.612) 11.295 7.615 ( 9.434 -0.761 -0.263) 9.468 8.588 ( -2.795 -1.745 1.273) 3.533 9.023 ( -7.409 -6.360 -0.318) 9.770 9.273 ( -0.446 -0.304 7.513) 7.533 9.906 ( 0.077 -5.806 6.822) 8.958 10.452 ( 10.205 9.254 3.479) 14.208 11.669 ( -2.200 -4.744 2.683) 5.877 12.578 ( 9.756 20.803 -2.684) 23.133 13.662 ( -3.406 7.516 6.258) 10.356 13.828 ( 9.742 0.015 0.173) 9.744 15.022 ( -8.400 -11.869 -5.007) 15.378 15.666 ( -5.218 3.533 2.579) 6.808 17.228 ( -2.873 -1.981 -17.804) 18.143 17.475 ( 5.734 -4.521 -6.420) 9.723 ======================= Grid point 402 (77/174) ======================= q-point: (-0.33 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -10.400 6.545 6.969) 14.127 2.901 ( -13.726 9.987 -6.114) 18.042 3.581 ( 6.737 -2.953 3.015) 7.950 4.093 ( 5.476 -1.120 -0.359) 5.601 4.383 ( -0.124 -6.934 -2.311) 7.310 4.507 ( 5.200 -12.870 3.723) 14.371 5.232 ( -1.578 -8.424 -5.880) 10.394 5.521 ( 5.553 13.068 -3.207) 14.556 5.825 ( -5.373 1.600 -6.090) 8.278 6.102 ( 2.572 -1.215 -11.740) 12.080 6.251 ( -4.523 -0.100 -9.296) 10.338 6.697 ( -3.700 -12.208 -1.813) 12.884 7.496 ( -1.336 6.615 6.886) 9.642 7.844 ( 13.963 3.281 -2.719) 14.599 8.463 ( -7.750 -5.098 3.170) 9.803 8.862 ( -3.308 -6.165 1.194) 7.097 9.250 ( -2.650 1.834 7.577) 8.234 9.871 ( 3.355 -7.745 6.870) 10.883 10.720 ( 9.899 8.347 2.059) 13.111 11.555 ( -3.128 -8.051 0.245) 8.641 12.929 ( 5.139 22.626 5.932) 23.949 13.684 ( -0.530 4.486 7.668) 8.899 13.928 ( 3.402 -3.171 -8.055) 9.301 14.742 ( -5.332 -17.500 12.939) 22.408 15.677 ( -7.552 18.233 -14.258) 24.347 17.161 ( 0.792 -7.301 -15.308) 16.979 17.517 ( 5.085 -5.869 -6.876) 10.372 ======================= Grid point 403 (78/174) ======================= q-point: (-0.25 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -6.595 11.423 4.203) 13.843 2.834 ( -8.248 14.285 -3.273) 16.817 3.627 ( 2.480 -4.295 2.676) 5.635 4.135 ( 1.375 -2.382 0.337) 2.771 4.344 ( 4.840 -8.383 -1.022) 9.734 4.489 ( 7.529 -13.041 2.979) 15.350 5.175 ( 3.516 -6.090 -5.503) 8.929 5.645 ( -5.357 9.279 3.804) 11.369 5.785 ( -1.667 2.887 -15.045) 15.410 6.094 ( 0.380 -0.658 -22.600) 22.613 6.246 ( -1.428 2.473 2.042) 3.510 6.585 ( 5.161 -8.939 -2.865) 10.712 7.517 ( -2.743 4.751 5.794) 7.980 8.036 ( 1.432 -2.480 -5.525) 6.223 8.314 ( 0.262 -0.453 6.676) 6.696 8.805 ( 2.274 -3.938 1.995) 4.966 9.235 ( -2.148 3.721 7.354) 8.517 9.863 ( 4.968 -8.605 7.045) 12.180 10.867 ( -1.308 2.266 1.678) 3.108 11.469 ( 3.436 -5.951 -0.814) 6.920 13.103 ( -10.039 17.388 10.891) 22.841 13.719 ( -0.306 0.530 12.611) 12.626 13.914 ( 0.953 -1.651 -20.382) 20.471 14.597 ( 8.496 -14.715 21.564) 27.454 15.712 ( -12.787 22.148 -19.782) 32.332 17.129 ( 5.146 -8.914 -14.347) 17.657 17.531 ( 3.805 -6.590 -6.684) 10.128 ======================= Grid point 413 (79/174) ======================= q-point: (-0.42 0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -0.129 -0.224 6.157) 6.163 3.093 ( -2.184 -3.783 -12.427) 13.172 3.484 ( 2.633 4.560 6.547) 8.401 4.028 ( 1.317 2.281 -0.736) 2.735 4.351 ( -2.241 -3.881 4.636) 6.448 4.391 ( -6.045 -10.471 -1.526) 12.187 5.201 ( -4.552 -7.884 -4.988) 10.380 5.540 ( 8.288 14.355 -6.399) 17.768 5.913 ( -0.146 -0.252 -3.921) 3.932 6.045 ( 0.285 0.494 -7.908) 7.928 6.287 ( -2.881 -4.991 -14.267) 15.387 6.672 ( -6.370 -11.033 -1.491) 12.827 7.599 ( 1.220 2.114 -3.265) 4.076 7.680 ( 7.588 13.142 7.055) 16.735 8.507 ( -3.862 -6.689 3.593) 8.519 8.853 ( -5.247 -9.088 1.709) 10.632 9.300 ( 1.304 2.258 7.411) 7.857 9.789 ( -3.463 -5.998 6.810) 9.713 10.678 ( 7.596 13.156 0.449) 15.198 11.541 ( -4.753 -8.233 0.323) 9.512 12.997 ( 12.582 21.793 6.046) 25.881 13.745 ( 0.520 0.900 14.520) 14.557 13.848 ( 1.306 2.262 -9.618) 9.966 14.701 ( -11.294 -19.562 9.169) 24.378 15.845 ( 7.595 13.155 -13.281) 20.178 17.100 ( -5.665 -9.812 -21.008) 23.869 17.450 ( 0.426 0.738 -3.357) 3.464 ======================= Grid point 415 (80/174) ======================= q-point: (-0.33 0.58 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -4.075 5.917 0.561) 7.206 3.013 ( -3.550 0.845 -7.948) 8.745 3.583 ( 2.066 3.809 4.725) 6.411 4.081 ( 3.565 -0.133 0.954) 3.692 4.210 ( -2.012 -9.938 0.295) 10.144 4.296 ( 2.378 -7.830 4.654) 9.414 5.088 ( -0.459 -5.680 -4.771) 7.432 5.780 ( 3.550 12.676 -5.786) 14.379 5.889 ( -4.935 4.440 -7.135) 9.745 6.065 ( 0.464 -2.869 -19.832) 20.044 6.238 ( 2.705 -0.493 -3.320) 4.311 6.472 ( -3.563 -10.976 -2.422) 11.791 7.618 ( -2.185 4.749 -4.510) 6.904 7.958 ( 9.482 8.625 5.014) 13.764 8.336 ( -6.372 -7.959 6.505) 12.094 8.724 ( -0.280 -6.521 3.131) 7.239 9.341 ( -2.250 6.860 6.617) 9.793 9.694 ( 2.301 -10.010 6.663) 12.243 10.917 ( 4.286 11.530 -0.697) 12.320 11.373 ( -2.485 -10.628 -1.073) 10.967 13.376 ( 3.292 23.096 14.258) 27.341 13.737 ( -1.720 1.216 13.285) 13.451 13.883 ( 1.637 -1.461 -12.544) 12.735 14.350 ( -2.719 -21.701 13.439) 25.670 16.089 ( -2.712 22.862 -19.752) 30.335 16.913 ( 1.539 -17.184 -20.199) 26.564 17.466 ( 0.953 -0.520 -2.959) 3.152 ======================= Grid point 428 (81/174) ======================= q-point: (-0.33 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -2.129 -3.688 -5.014) 6.578 2.968 ( 2.129 3.688 -5.014) 6.578 3.653 ( -0.000 -0.000 4.580) 4.580 4.084 ( -0.501 -0.868 1.524) 1.824 4.084 ( 0.501 0.868 1.524) 1.824 4.217 ( 0.000 0.000 5.294) 5.294 5.030 ( 0.000 0.000 -4.688) 4.688 5.946 ( -0.000 -0.000 8.065) 8.065 5.977 ( -3.165 -5.482 -22.040) 22.931 5.977 ( 3.165 5.482 -22.040) 22.931 6.288 ( -3.364 -5.827 -2.277) 7.103 6.288 ( 3.364 5.827 -2.277) 7.103 7.663 ( -0.000 -0.000 -10.056) 10.056 8.154 ( -5.256 -9.104 8.508) 13.524 8.154 ( 5.256 9.104 8.508) 13.524 8.654 ( 0.000 0.000 3.616) 3.616 9.501 ( -4.709 -8.156 6.260) 11.308 9.501 ( 4.709 8.156 6.260) 11.308 11.150 ( -6.028 -10.441 -1.476) 12.146 11.150 ( 6.028 10.441 -1.476) 12.146 13.745 ( -0.350 -0.605 14.279) 14.296 13.745 ( 0.350 0.605 14.279) 14.296 13.837 ( 0.000 0.000 15.468) 15.468 14.026 ( -0.000 -0.000 -12.956) 12.956 16.529 ( -10.880 -18.846 -20.967) 30.218 16.529 ( 10.880 18.846 -20.967) 30.218 17.464 ( 0.000 0.000 -2.330) 2.330 ======================= Grid point 471 (82/174) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 -0.000 30.126) 30.126 2.032 ( 0.000 0.000 30.126) 30.126 3.182 ( 0.000 -0.000 47.224) 47.224 4.335 ( 0.000 0.000 -13.641) 13.641 4.335 ( 0.000 0.000 -13.641) 13.641 4.761 ( 0.000 -0.000 -13.315) 13.315 4.761 ( 0.000 0.000 -13.315) 13.315 6.264 ( 0.000 0.000 6.677) 6.677 6.296 ( 0.000 -0.000 10.502) 10.502 6.475 ( 0.000 -0.000 -4.330) 4.330 6.475 ( 0.000 0.000 -4.330) 4.330 7.640 ( 0.000 -0.000 -6.967) 6.967 7.861 ( 0.000 -0.000 7.999) 7.999 7.861 ( 0.000 0.000 7.999) 7.999 8.059 ( 0.000 0.000 -18.682) 18.682 8.490 ( 0.000 0.000 0.731) 0.731 9.560 ( 0.000 -0.000 2.123) 2.123 9.560 ( 0.000 0.000 2.123) 2.123 11.396 ( 0.000 -0.000 -4.315) 4.315 11.396 ( 0.000 0.000 -4.315) 4.315 13.400 ( -0.000 -0.000 -4.152) 4.152 13.400 ( 0.000 0.000 -4.152) 4.152 13.670 ( 0.000 -0.000 1.190) 1.190 14.585 ( -0.000 -0.000 4.809) 4.809 14.585 ( 0.000 0.000 4.809) 4.809 17.465 ( 0.000 0.000 7.035) 7.035 18.648 ( 0.000 -0.000 -7.875) 7.875 ======================= Grid point 472 (83/174) ======================= q-point: ( 0.08 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.947 -4.222 31.356) 31.653 2.109 ( 3.404 6.800 28.313) 29.316 3.302 ( 10.107 5.562 40.691) 42.295 4.283 ( -1.603 -4.202 -12.356) 13.149 4.346 ( -1.251 1.903 -11.654) 11.875 4.765 ( 0.717 5.119 -14.761) 15.640 4.890 ( 9.558 2.540 -14.255) 17.350 5.964 ( -12.922 -17.528 6.350) 22.683 6.171 ( -9.407 -6.879 8.959) 14.700 6.451 ( -7.511 7.782 -2.832) 11.180 6.636 ( 3.838 3.496 -2.882) 5.937 7.535 ( -7.261 -2.413 -2.166) 7.952 7.773 ( -3.648 -5.659 -1.494) 6.897 7.967 ( 6.827 2.888 4.152) 8.496 8.112 ( 1.179 4.852 -8.369) 9.746 8.521 ( 2.826 1.172 0.681) 3.134 9.537 ( -0.218 -3.584 2.167) 4.194 9.670 ( 7.327 7.149 -0.614) 10.255 11.343 ( 0.761 -3.746 -3.290) 5.044 11.504 ( 4.206 5.571 -4.569) 8.343 13.014 ( -23.910 -13.816 9.221) 29.113 13.388 ( 5.702 -15.457 -3.447) 16.832 13.874 ( 4.043 18.729 -10.444) 21.822 14.462 ( -5.148 0.284 6.415) 8.231 14.812 ( 13.230 4.163 2.442) 14.083 17.430 ( -2.782 -2.219 6.403) 7.325 18.570 ( -7.342 -2.900 -7.292) 10.746 ======================= Grid point 473 (84/174) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 4.710 -1.572 27.293) 27.741 2.280 ( 7.395 9.407 24.698) 27.443 3.574 ( 13.018 6.850 27.981) 31.612 4.213 ( -0.242 -6.524 -10.340) 12.228 4.336 ( -2.666 2.973 -7.647) 8.627 4.868 ( 2.215 10.310 -16.481) 19.566 5.103 ( 11.787 3.114 -16.468) 20.490 5.604 ( -8.993 -17.177 7.074) 20.639 5.883 ( -12.988 -12.232 8.271) 19.666 6.347 ( -11.043 2.908 -3.413) 11.919 6.618 ( -9.354 5.214 0.058) 10.709 7.404 ( -7.659 1.991 0.672) 7.942 7.679 ( -0.435 -7.186 -7.187) 10.173 8.047 ( -1.692 2.250 3.049) 4.150 8.210 ( 5.193 5.981 -1.436) 8.050 8.602 ( 4.961 1.780 0.680) 5.314 9.488 ( -0.734 -4.381 2.420) 5.059 9.882 ( 7.293 8.074 -3.503) 11.430 11.331 ( 1.759 -5.214 -1.760) 5.778 11.631 ( 3.990 5.565 -2.448) 7.272 12.453 ( -18.393 -23.928 14.028) 33.281 13.338 ( 4.015 -10.540 -2.928) 11.653 14.121 ( 3.560 19.322 -16.146) 25.430 14.389 ( -4.265 0.025 7.761) 8.856 15.086 ( 13.513 5.379 0.964) 14.576 17.335 ( -4.324 -4.620 4.708) 7.887 18.359 ( -13.485 -3.701 -6.851) 15.572 ======================= Grid point 474 (85/174) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 10.676 4.561 15.392) 19.279 2.528 ( 10.346 10.303 19.904) 24.685 3.793 ( 5.179 3.060 14.360) 15.569 4.154 ( 1.615 -7.744 -6.252) 10.083 4.317 ( -2.783 2.826 -5.829) 7.051 5.022 ( 1.463 12.942 -14.023) 19.139 5.282 ( 1.724 -4.201 -14.492) 15.187 5.378 ( 1.298 -5.726 1.432) 6.043 5.539 ( -9.356 -13.547 7.115) 17.935 6.153 ( -11.095 -2.757 -4.189) 12.175 6.501 ( -11.044 9.326 3.729) 14.928 7.312 ( -8.618 6.529 1.369) 10.898 7.594 ( -1.154 -8.381 -8.150) 11.747 7.988 ( -6.822 2.088 5.205) 8.831 8.368 ( 6.747 4.190 0.039) 7.943 8.722 ( 6.547 3.336 0.921) 7.406 9.435 ( -0.297 -4.565 2.622) 5.273 10.037 ( 2.172 7.063 -2.558) 7.820 11.222 ( -8.985 -9.373 6.002) 14.305 11.739 ( 3.598 3.309 0.974) 4.984 12.031 ( -1.737 -23.360 2.398) 23.547 13.333 ( 5.246 -6.348 -1.014) 8.298 14.306 ( -5.334 -0.692 9.696) 11.088 14.371 ( 6.013 14.963 -19.118) 25.011 15.367 ( 12.113 8.209 0.884) 14.660 17.205 ( -4.616 -6.399 1.847) 8.104 18.061 ( -17.209 -3.574 -7.580) 19.141 ======================= Grid point 475 (86/174) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 14.025 9.172 1.666) 16.841 2.812 ( 11.111 9.919 14.840) 21.026 3.789 ( -5.231 -1.347 3.744) 6.573 4.087 ( -2.094 -7.683 -1.639) 8.130 4.318 ( 1.645 0.337 -5.497) 5.748 5.007 ( -11.540 -3.631 2.998) 12.464 5.197 ( -4.000 -12.487 1.577) 13.207 5.285 ( 2.270 9.361 -10.629) 14.344 5.593 ( 8.924 2.892 -13.664) 16.574 5.954 ( -7.401 -4.608 -5.809) 10.476 6.466 ( -5.973 13.714 6.602) 16.350 7.226 ( -10.576 8.206 0.370) 13.391 7.476 ( -2.062 -9.855 -6.540) 12.006 7.879 ( -7.836 1.941 7.857) 11.265 8.502 ( 5.664 1.655 0.505) 5.923 8.886 ( 7.307 5.945 0.963) 9.469 9.395 ( 0.861 -4.170 3.101) 5.267 10.099 ( -1.840 5.845 0.282) 6.135 10.868 ( -16.084 -14.552 10.253) 23.991 11.787 ( -2.568 4.006 -2.234) 5.257 11.949 ( 14.953 -20.891 -3.715) 25.958 13.392 ( 7.579 -3.931 1.078) 8.605 14.193 ( -4.668 -4.945 12.951) 14.627 14.602 ( 4.880 12.801 -21.030) 25.098 15.654 ( 10.617 11.541 2.237) 15.841 17.059 ( -4.910 -7.183 -3.750) 9.475 17.734 ( -17.054 -2.841 -8.124) 19.103 ======================= Grid point 476 (87/174) ======================= q-point: ( 0.42 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 11.005 8.939 -9.884) 17.283 3.067 ( 8.004 7.524 10.193) 14.986 3.656 ( -7.332 -0.855 2.839) 7.909 3.947 ( -4.457 -7.218 -1.455) 8.607 4.373 ( 5.402 -1.635 -1.630) 5.875 4.732 ( -10.467 -9.097 3.728) 14.360 5.094 ( -0.236 -4.291 1.510) 4.555 5.392 ( -2.005 9.150 -7.681) 12.113 5.738 ( 4.135 3.277 -18.167) 18.918 5.843 ( -1.665 -1.988 -8.453) 8.842 6.555 ( -1.856 16.253 8.238) 18.316 7.113 ( -11.468 7.490 -2.688) 13.959 7.351 ( -0.208 -10.661 -3.562) 11.242 7.783 ( -6.206 3.330 10.421) 12.578 8.587 ( 3.715 -0.486 1.071) 3.897 9.055 ( 4.576 5.966 -0.427) 7.531 9.393 ( 2.832 -2.362 5.309) 6.464 10.106 ( -3.207 5.242 2.930) 6.808 10.489 ( -11.052 -12.972 5.863) 18.022 11.767 ( -2.998 2.819 -5.794) 7.106 12.020 ( 15.351 -19.917 -1.753) 25.207 13.497 ( 8.528 -3.661 1.456) 9.394 14.064 ( -3.361 -6.626 17.029) 18.579 14.765 ( 1.400 9.356 -21.720) 23.691 15.936 ( 7.822 12.964 7.287) 16.803 16.896 ( -6.437 -6.340 -15.727) 18.137 17.472 ( -10.642 -1.189 -5.587) 12.078 ======================= Grid point 477 (88/174) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -1.343 2.326 -16.557) 16.773 3.178 ( -1.061 1.838 7.754) 8.039 3.583 ( -2.045 3.542 6.496) 7.676 3.859 ( 2.072 -3.588 -1.776) 4.508 4.448 ( 2.795 -4.840 6.807) 8.808 4.555 ( 1.739 -3.013 -3.574) 4.987 5.075 ( 0.780 -1.352 1.438) 2.122 5.409 ( -3.975 6.886 -5.449) 9.639 5.788 ( -1.121 1.942 -20.953) 21.072 5.831 ( 0.071 -0.123 -8.616) 8.618 6.643 ( -7.949 13.769 9.953) 18.757 7.034 ( -5.445 9.431 -6.460) 12.662 7.292 ( 5.120 -8.867 -1.242) 10.314 7.746 ( -3.170 5.490 11.443) 13.082 8.616 ( 1.236 -2.141 1.389) 2.836 9.123 ( -1.279 2.215 -1.991) 3.241 9.419 ( 0.974 -1.688 7.878) 8.116 10.103 ( -3.067 5.312 4.022) 7.335 10.317 ( 3.213 -5.565 2.666) 6.957 11.754 ( -1.812 3.139 -6.289) 7.259 12.054 ( 12.309 -21.320 -1.347) 24.655 13.564 ( 3.908 -6.768 0.053) 7.816 13.991 ( 2.359 -4.086 20.189) 20.733 14.823 ( -3.587 6.212 -21.864) 23.011 16.092 ( -4.180 7.241 14.623) 16.844 16.784 ( 0.428 -0.742 -27.441) 27.455 17.376 ( -1.264 2.189 -3.000) 3.922 ======================= Grid point 485 (89/174) ======================= q-point: ( 0.08 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.599 1.037 28.801) 28.826 2.265 ( 5.392 9.339 24.101) 26.403 3.492 ( 7.386 12.792 32.006) 35.250 4.182 ( -3.184 -5.514 -10.817) 12.552 4.380 ( 0.712 1.233 -8.487) 8.606 4.916 ( 5.315 9.207 -16.848) 19.922 4.996 ( 4.942 8.560 -15.086) 18.035 5.594 ( -10.321 -17.876 7.893) 22.099 5.933 ( -9.469 -16.401 7.924) 20.530 6.459 ( -3.546 -6.142 -3.885) 8.086 6.737 ( 1.783 3.088 0.700) 3.633 7.483 ( -1.232 -2.133 0.392) 2.494 7.641 ( -3.390 -5.871 -8.195) 10.636 8.069 ( 3.425 5.933 3.809) 7.838 8.200 ( 1.959 3.393 -3.089) 4.989 8.566 ( 2.011 3.482 0.541) 4.057 9.460 ( -2.441 -4.228 2.488) 5.479 9.866 ( 6.890 11.933 -3.972) 14.340 11.283 ( -1.128 -1.955 -2.825) 3.616 11.621 ( 2.956 5.120 -1.660) 6.141 12.505 ( -18.511 -32.063 13.169) 39.295 13.243 ( -1.586 -2.746 -0.712) 3.250 14.162 ( 5.377 9.314 -12.845) 16.753 14.487 ( 1.775 3.075 5.769) 6.774 14.965 ( 6.406 11.096 -0.740) 12.834 17.349 ( -3.411 -5.908 4.944) 8.424 18.458 ( -4.919 -8.520 -6.382) 11.727 ======================= Grid point 486 (90/174) ======================= q-point: ( 0.17 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 6.886 7.440 18.160) 20.799 2.472 ( 7.855 10.221 19.669) 23.517 3.737 ( 7.334 8.865 20.631) 23.623 4.082 ( -1.486 -6.470 -8.662) 10.913 4.381 ( -1.993 0.620 -6.076) 6.425 5.103 ( 3.573 12.954 -14.863) 20.037 5.198 ( 8.574 6.560 -17.782) 20.802 5.318 ( -4.434 -10.865 6.773) 13.549 5.571 ( -12.105 -18.716 7.096) 23.392 6.267 ( -9.109 -9.423 -3.304) 13.516 6.724 ( -5.562 3.954 4.889) 8.395 7.458 ( -2.730 3.154 1.172) 4.333 7.555 ( -1.699 -4.851 -11.517) 12.612 8.123 ( -4.455 4.845 4.589) 8.024 8.279 ( 6.049 0.829 -0.236) 6.110 8.659 ( 4.807 4.308 0.719) 6.495 9.378 ( -0.954 -6.507 2.997) 7.227 10.088 ( 4.433 12.253 -5.361) 14.090 11.251 ( -2.038 -2.919 -0.968) 3.689 11.633 ( -1.255 -12.082 11.826) 16.953 11.972 ( -9.809 -16.279 0.377) 19.009 13.220 ( 1.997 -3.063 1.027) 3.798 14.232 ( 0.934 -3.686 0.967) 3.924 14.598 ( -0.990 17.413 -7.797) 19.105 15.221 ( 12.362 8.307 -3.579) 15.318 17.213 ( -4.591 -7.602 2.304) 9.175 18.245 ( -10.579 -8.050 -5.730) 14.476 ======================= Grid point 487 (91/174) ======================= q-point: ( 0.25 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 11.690 12.689 4.725) 17.888 2.720 ( 10.144 9.263 14.949) 20.302 3.846 ( -1.543 1.856 8.366) 8.707 4.020 ( 1.261 -5.875 -3.493) 6.950 4.325 ( -2.994 -2.653 -5.505) 6.806 5.119 ( -8.454 -7.109 6.960) 13.056 5.159 ( -6.681 -13.599 4.915) 15.928 5.347 ( 4.085 13.309 -16.710) 21.750 5.466 ( 9.961 5.227 -15.497) 19.150 6.014 ( -8.303 -10.186 -3.188) 13.523 6.687 ( -5.163 8.921 8.161) 13.147 7.423 ( -5.730 1.909 -2.363) 6.485 7.472 ( -3.975 -1.322 -8.742) 9.694 8.043 ( -8.656 3.167 7.146) 11.663 8.393 ( 7.197 -1.545 0.572) 7.383 8.815 ( 7.555 6.146 1.328) 9.830 9.308 ( 1.146 -7.806 3.295) 8.550 10.228 ( -1.772 11.816 -3.154) 12.358 11.000 ( -16.940 -14.612 11.710) 25.251 11.517 ( 12.003 -18.720 1.785) 22.310 11.859 ( -2.168 0.872 -5.690) 6.151 13.251 ( 4.866 -2.460 2.722) 6.094 14.162 ( -1.581 -8.397 10.568) 13.590 14.762 ( -1.644 19.698 -16.146) 25.522 15.528 ( 14.420 7.956 -4.518) 17.078 17.058 ( -4.421 -8.357 -1.806) 9.625 17.961 ( -14.138 -6.646 -5.599) 16.595 ======================= Grid point 488 (92/174) ======================= q-point: ( 0.33 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 11.813 12.654 -6.260) 18.408 2.975 ( 10.285 6.663 10.178) 15.930 3.770 ( -6.162 -0.355 2.586) 6.692 3.958 ( -3.303 -5.395 -0.541) 6.349 4.265 ( 1.829 -5.613 -3.444) 6.835 4.765 ( -10.026 -17.967 5.944) 21.417 5.106 ( -1.436 2.150 4.862) 5.506 5.503 ( -0.433 8.714 -11.524) 14.454 5.681 ( 7.501 6.654 -18.651) 21.176 5.838 ( -1.887 -5.548 -7.523) 9.536 6.742 ( -1.569 13.909 9.916) 17.154 7.304 ( -6.138 -3.174 -5.504) 8.834 7.386 ( -9.036 4.038 -5.829) 11.486 7.925 ( -7.659 2.305 10.704) 13.363 8.483 ( 6.322 -3.350 0.971) 7.220 9.007 ( 6.859 5.619 1.026) 8.926 9.280 ( 4.659 -6.241 4.231) 8.864 10.269 ( -6.147 10.885 -0.358) 12.506 10.568 ( -14.209 -15.922 9.649) 23.420 11.589 ( 14.394 -15.991 -4.118) 21.906 11.831 ( -2.256 0.720 -2.891) 3.737 13.331 ( 7.042 -2.189 3.786) 8.289 14.034 ( -2.735 -9.408 15.416) 18.266 14.908 ( -2.391 16.681 -19.043) 25.428 15.849 ( 13.956 8.164 -2.331) 16.336 16.904 ( -4.154 -8.709 -9.318) 13.414 17.668 ( -13.700 -3.628 -4.623) 14.907 ======================= Grid point 489 (93/174) ======================= q-point: ( 0.42 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 5.234 6.660 -13.972) 16.339 3.156 ( 5.101 1.619 6.166) 8.165 3.692 ( -4.363 4.658 4.771) 7.968 3.832 ( -3.922 -4.418 -1.021) 5.995 4.291 ( 7.613 -6.016 2.784) 10.095 4.480 ( -3.847 -14.828 1.887) 15.435 5.114 ( -1.980 4.510 3.865) 6.261 5.502 ( -2.401 0.983 -4.831) 5.484 5.818 ( 2.142 3.902 -16.990) 17.563 5.835 ( 0.196 2.672 -17.076) 17.285 6.876 ( -1.581 15.609 11.114) 19.227 7.199 ( -2.537 -1.182 -4.767) 5.528 7.249 ( -10.313 3.996 -7.219) 13.208 7.851 ( -4.034 3.139 12.952) 13.924 8.536 ( 4.411 -4.741 1.437) 6.633 9.100 ( 2.817 -2.310 -0.380) 3.663 9.360 ( 5.545 0.488 6.576) 8.616 10.208 ( -6.488 -2.485 -0.930) 7.009 10.313 ( -5.210 2.312 7.577) 9.481 11.655 ( 11.877 -16.792 -6.219) 21.487 11.805 ( -1.199 0.468 -0.742) 1.485 13.421 ( 5.919 -3.654 3.204) 7.658 13.916 ( -0.165 -7.839 18.747) 20.320 14.993 ( -4.911 13.111 -19.874) 24.311 16.116 ( 7.834 5.249 5.627) 10.981 16.759 ( -2.243 -7.743 -22.565) 23.962 17.472 ( -7.342 1.501 -1.942) 7.741 ======================= Grid point 498 (94/174) ======================= q-point: ( 0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 8.717 15.097 5.987) 18.433 2.675 ( 6.206 10.749 14.885) 19.381 3.874 ( 2.443 4.231 12.936) 13.828 3.970 ( -2.849 -4.935 -6.877) 8.931 4.341 ( -2.632 -4.558 -5.216) 7.410 5.149 ( -11.438 -19.811 6.213) 23.705 5.162 ( -1.754 -3.038 10.028) 10.624 5.382 ( 4.584 7.940 -17.294) 19.574 5.396 ( 8.141 14.101 -20.062) 25.838 6.035 ( -7.676 -13.295 -1.958) 15.476 6.775 ( 1.352 2.341 8.728) 9.137 7.481 ( -1.937 -3.356 -12.555) 13.139 7.509 ( 0.906 1.569 0.247) 1.829 8.197 ( 0.070 0.121 6.302) 6.304 8.262 ( -0.064 -0.110 -0.096) 0.159 8.776 ( 4.563 7.903 1.723) 9.287 9.253 ( -3.442 -5.961 4.147) 8.036 10.316 ( 5.856 10.143 -5.054) 12.756 11.158 ( -15.296 -26.494 17.246) 35.119 11.226 ( -0.827 -1.432 -2.809) 3.259 11.882 ( -0.341 -0.590 -5.282) 5.326 13.196 ( 0.257 0.444 3.474) 3.512 14.130 ( -3.632 -6.290 9.226) 11.742 14.908 ( 7.875 13.640 -12.339) 20.008 15.412 ( 6.703 11.610 -8.257) 15.745 17.054 ( -4.910 -8.504 -1.434) 9.924 18.051 ( -6.699 -11.604 -4.597) 14.165 ======================= Grid point 499 (95/174) ======================= q-point: ( 0.25 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 10.272 15.315 -3.841) 18.836 2.884 ( 7.763 7.624 10.195) 14.911 3.854 ( -4.872 -0.856 1.046) 5.056 3.927 ( 1.406 -3.880 2.449) 4.799 4.227 ( -3.616 -6.548 -4.262) 8.609 4.751 ( -11.006 -20.335 7.048) 24.173 5.151 ( -0.154 2.996 7.285) 7.879 5.545 ( 3.825 5.951 -18.199) 19.526 5.661 ( 6.087 12.971 -19.226) 23.977 5.805 ( -3.515 -9.474 -3.156) 10.586 6.847 ( 1.684 7.907 9.474) 12.454 7.399 ( -5.673 -0.257 -8.952) 10.601 7.515 ( -2.034 1.231 -2.724) 3.616 8.096 ( -10.054 1.954 7.389) 12.629 8.316 ( 7.551 -6.051 0.942) 9.722 8.957 ( 6.380 7.929 2.534) 10.488 9.164 ( 0.875 -5.788 5.602) 8.102 10.455 ( -1.130 9.931 -0.818) 10.028 10.658 ( -16.160 -18.431 9.110) 26.151 11.254 ( 8.588 -9.010 -3.154) 12.841 11.862 ( -1.390 -0.783 -3.477) 3.825 13.234 ( 3.443 0.799 5.413) 6.465 13.994 ( -3.617 -8.888 13.757) 16.773 15.114 ( -0.425 16.192 -13.636) 21.173 15.675 ( 13.150 7.635 -10.321) 18.378 16.889 ( -4.641 -9.090 -7.020) 12.387 17.814 ( -9.441 -8.070 -3.273) 12.844 ======================= Grid point 500 (96/174) ======================= q-point: ( 0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 6.836 9.560 -10.025) 15.448 3.066 ( 7.037 2.738 5.586) 9.393 3.777 ( -3.140 0.956 1.112) 3.465 3.886 ( -3.310 -1.705 2.748) 4.628 4.134 ( 1.883 -6.942 -0.836) 7.241 4.412 ( -6.892 -17.310 5.696) 19.483 5.191 ( -0.696 5.546 4.983) 7.488 5.524 ( -3.109 -5.040 -5.176) 7.865 5.790 ( 4.484 3.567 -15.247) 16.288 5.868 ( 2.694 7.604 -21.225) 22.706 6.983 ( 3.116 10.504 6.121) 12.550 7.305 ( -6.930 4.856 -3.868) 9.304 7.454 ( -7.403 1.977 -4.985) 9.141 7.951 ( -7.112 0.052 10.704) 12.851 8.376 ( 7.219 -7.750 0.944) 10.633 9.025 ( 1.226 -4.630 2.014) 5.196 9.268 ( 8.424 6.753 7.224) 12.991 10.261 ( -10.409 -14.851 5.866) 19.061 10.497 ( -6.268 11.506 0.445) 13.110 11.317 ( 10.528 -12.433 -3.628) 16.691 11.828 ( -1.407 -0.688 -3.193) 3.557 13.316 ( 4.726 0.906 6.453) 8.050 13.849 ( -2.289 -9.647 16.446) 19.203 15.220 ( -4.730 14.987 -14.405) 21.319 15.972 ( 13.578 5.029 -7.243) 16.190 16.719 ( -4.031 -10.527 -15.992) 19.566 17.609 ( -8.058 -2.218 -1.172) 8.439 ======================= Grid point 501 (97/174) ======================= q-point: ( 0.42 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -1.118 1.937 -12.337) 12.538 3.144 ( 1.416 -2.452 3.112) 4.208 3.779 ( 0.004 -0.007 -0.663) 0.663 3.817 ( -3.528 6.111 5.003) 8.650 4.159 ( 4.670 -8.088 6.557) 11.411 4.224 ( 5.501 -9.528 0.245) 11.004 5.215 ( -2.982 5.165 3.998) 7.180 5.466 ( 1.842 -3.190 -2.902) 4.689 5.858 ( -0.865 1.499 -17.290) 17.377 5.924 ( -2.104 3.644 -21.777) 22.180 7.083 ( -3.222 5.580 1.183) 6.551 7.307 ( -6.641 11.502 4.341) 13.973 7.339 ( -3.029 5.246 -8.689) 10.592 7.889 ( -0.474 0.821 12.012) 12.049 8.400 ( 5.339 -9.248 1.040) 10.729 9.007 ( 3.206 -5.553 2.187) 6.775 9.405 ( -1.923 3.332 7.763) 8.664 10.076 ( 3.710 -6.426 2.859) 7.952 10.497 ( -6.628 11.479 2.162) 13.430 11.348 ( 8.511 -14.741 -3.496) 17.376 11.812 ( -0.104 0.181 -3.413) 3.419 13.372 ( 0.684 -1.185 6.262) 6.409 13.771 ( 4.003 -6.933 17.824) 19.540 15.252 ( -7.544 13.066 -14.627) 21.014 16.145 ( 1.078 -1.866 -0.398) 2.192 16.604 ( 4.401 -7.623 -25.457) 26.936 17.527 ( -2.079 3.601 0.178) 4.162 ======================= Grid point 508 (98/174) ======================= q-point: (-0.08 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -1.394 2.414 29.573) 29.704 2.138 ( -3.926 6.800 27.842) 28.928 3.503 ( -7.724 13.379 30.937) 34.580 4.294 ( 1.339 -2.320 -9.876) 10.232 4.300 ( -0.166 0.288 -9.790) 9.796 4.752 ( -0.503 0.871 -16.334) 16.365 5.074 ( -6.373 11.038 -15.713) 20.232 5.857 ( 5.314 -9.205 6.353) 12.383 5.995 ( 7.156 -12.394 8.241) 16.515 6.235 ( 5.852 -10.135 -1.732) 11.830 6.574 ( 4.345 -7.526 -2.866) 9.151 7.386 ( 5.266 -9.121 0.017) 10.532 7.766 ( 0.328 -0.568 -2.718) 2.796 8.060 ( 1.624 -2.813 -4.971) 5.938 8.099 ( -4.148 7.185 3.030) 8.832 8.585 ( -2.572 4.455 0.766) 5.201 9.533 ( 1.196 -2.072 2.720) 3.623 9.801 ( -5.282 9.149 -2.755) 10.918 11.415 ( -1.922 3.328 -1.538) 4.139 11.538 ( -1.668 2.890 -4.990) 6.003 12.702 ( 9.711 -16.820 15.218) 24.674 13.641 ( -3.872 6.706 -5.013) 9.225 13.713 ( 1.723 -2.984 -13.348) 13.786 14.408 ( 0.206 -0.357 4.336) 4.356 15.030 ( -6.584 11.404 3.066) 13.521 17.382 ( 2.103 -3.643 5.568) 6.978 18.394 ( 7.304 -12.651 -7.352) 16.354 ======================= Grid point 512 (99/174) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 6.348 10.995 -8.211) 15.120 3.013 ( 3.131 5.422 5.307) 8.208 3.828 ( -1.018 -1.763 -2.425) 3.166 3.873 ( -0.521 -0.902 7.276) 7.350 4.101 ( -3.392 -5.875 -2.686) 7.296 4.384 ( -9.713 -16.824 6.765) 20.570 5.227 ( 2.467 4.273 5.776) 7.597 5.524 ( -3.979 -6.892 -5.539) 9.697 5.764 ( 3.088 5.348 -16.223) 17.359 5.883 ( 4.637 8.032 -21.373) 23.299 7.005 ( 4.902 8.490 3.341) 10.357 7.429 ( 1.709 2.961 -0.513) 3.457 7.498 ( -1.488 -2.577 -5.069) 5.878 8.083 ( -3.306 -5.726 10.884) 12.735 8.202 ( -1.620 -2.806 -2.336) 3.995 8.989 ( -2.337 -4.047 3.200) 5.664 9.229 ( 6.755 11.700 8.073) 15.738 10.276 ( -10.007 -17.333 8.564) 21.770 10.643 ( 3.458 5.990 -2.878) 7.492 11.133 ( -2.200 -3.811 -3.140) 5.406 11.837 ( -0.859 -1.487 -3.226) 3.655 13.281 ( 2.283 3.954 7.884) 9.110 13.819 ( -5.205 -9.015 15.291) 18.498 15.364 ( 5.144 8.910 -8.440) 13.308 15.850 ( 6.276 10.871 -15.806) 20.184 16.701 ( -6.035 -10.453 -13.584) 18.172 17.669 ( -3.632 -6.291 -0.883) 7.317 ======================= Grid point 513 (100/174) ======================= q-point: ( 0.33 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 1.505 3.982 -8.501) 9.507 3.087 ( 2.609 -0.395 0.753) 2.744 3.805 ( -1.632 2.306 0.639) 2.896 3.896 ( 1.422 2.255 5.073) 5.731 4.019 ( 0.761 -4.729 1.113) 4.918 4.120 ( -4.023 -12.348 4.752) 13.829 5.294 ( -0.208 4.460 4.288) 6.190 5.415 ( -0.948 -4.660 -2.173) 5.229 5.872 ( 2.453 4.427 -20.027) 20.657 5.965 ( -0.047 1.729 -21.834) 21.902 7.160 ( 2.256 8.542 -5.426) 10.368 7.411 ( -3.838 -0.821 -7.208) 8.207 7.524 ( -1.351 10.542 8.820) 13.811 7.921 ( -6.303 -3.634 11.349) 13.481 8.198 ( 5.955 -9.347 -1.417) 11.173 8.924 ( 0.299 -4.383 3.941) 5.902 9.466 ( 4.552 12.303 8.342) 15.546 9.984 ( -4.846 -13.783 5.948) 15.774 10.710 ( -4.491 10.315 -0.810) 11.279 11.096 ( 5.453 -10.554 -3.063) 12.268 11.814 ( -0.443 -0.602 -3.763) 3.836 13.371 ( 2.099 4.701 9.612) 10.904 13.663 ( -1.421 -9.354 15.465) 18.130 15.465 ( -2.931 9.493 -5.444) 11.329 16.076 ( 8.041 6.661 -15.066) 18.331 16.494 ( -3.628 -12.494 -21.072) 24.765 17.585 ( -2.336 -0.434 0.666) 2.468 ======================= Grid point 519 (101/174) ======================= q-point: (-0.17 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -1.914 8.904 23.061) 24.795 2.341 ( -11.885 4.907 23.573) 26.851 3.747 ( -6.298 8.137 17.675) 20.452 4.259 ( -0.519 -3.182 -6.566) 7.315 4.297 ( 3.471 5.027 -5.907) 8.498 4.802 ( -6.870 -3.474 -17.306) 18.941 5.292 ( -6.418 10.102 -18.821) 22.304 5.610 ( 16.576 -0.898 5.977) 17.643 5.738 ( 10.210 -9.303 8.385) 16.159 6.069 ( -0.952 -16.141 -3.122) 16.468 6.398 ( 4.448 -10.196 -0.392) 11.131 7.212 ( 3.055 -11.404 1.592) 11.913 7.738 ( 4.158 2.265 -2.006) 5.142 7.978 ( 3.587 -3.977 -2.021) 5.724 8.257 ( -7.978 3.136 1.914) 8.783 8.684 ( -3.706 4.712 0.944) 6.069 9.480 ( 2.075 -2.346 3.419) 4.637 9.961 ( -4.580 5.194 -2.429) 7.338 11.389 ( 8.583 0.087 3.228) 9.171 11.620 ( -6.482 -2.311 -3.210) 7.594 12.422 ( 12.912 2.443 10.705) 16.950 13.527 ( 11.325 9.047 -8.139) 16.623 13.922 ( -18.976 -10.174 -8.752) 23.242 14.440 ( -0.036 7.386 -0.671) 7.416 15.237 ( -8.184 5.868 5.219) 11.342 17.293 ( 4.506 -2.936 3.792) 6.580 18.103 ( 10.169 -15.700 -8.820) 20.681 ======================= Grid point 525 (102/174) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -0.909 -1.575 -4.087) 4.473 3.063 ( 0.909 1.575 -4.087) 4.473 3.856 ( 0.000 0.000 2.083) 2.083 3.952 ( -1.417 -2.454 4.538) 5.350 3.952 ( 1.417 2.454 4.538) 5.350 3.962 ( 0.000 0.000 1.146) 1.146 5.341 ( -0.000 -0.000 3.971) 3.971 5.368 ( -0.000 -0.000 -1.580) 1.580 5.947 ( -1.457 -2.524 -21.621) 21.817 5.947 ( 1.457 2.524 -21.621) 21.817 7.318 ( -3.586 -6.212 -8.756) 11.319 7.318 ( 3.586 6.212 -8.756) 11.319 7.769 ( -5.978 -10.354 13.534) 18.058 7.769 ( 5.978 10.354 13.534) 18.058 8.094 ( -0.000 -0.000 -4.715) 4.715 8.879 ( -0.000 -0.000 4.501) 4.501 9.720 ( -6.743 -11.679 7.528) 15.445 9.720 ( 6.743 11.679 7.528) 15.445 10.901 ( -4.828 -8.363 -2.088) 9.879 10.901 ( 4.828 8.363 -2.088) 9.879 11.808 ( -0.000 -0.000 -4.077) 4.077 13.494 ( -3.887 -6.733 12.878) 15.043 13.494 ( 3.887 6.733 12.878) 15.043 15.560 ( -0.000 -0.000 0.961) 0.961 16.254 ( -5.723 -9.912 -21.803) 24.625 16.254 ( 5.723 9.912 -21.803) 24.625 17.582 ( -0.000 -0.000 1.070) 1.070 ======================= Grid point 532 (103/174) ======================= q-point: (-0.25 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -8.195 11.165 10.905) 17.628 2.610 ( -14.225 4.586 18.442) 23.738 3.814 ( 2.080 -1.391 4.806) 5.418 4.217 ( 3.595 -1.882 -0.741) 4.125 4.309 ( 1.061 5.584 -6.008) 8.270 4.890 ( -8.189 -8.668 -12.254) 17.099 5.317 ( 11.586 -0.517 -0.894) 11.632 5.422 ( 8.182 1.000 -7.167) 10.923 5.571 ( -0.992 4.220 -1.927) 4.744 5.943 ( -0.979 -13.361 -4.783) 14.225 6.276 ( -0.577 -6.668 2.647) 7.197 7.067 ( -0.300 -13.730 1.871) 13.860 7.670 ( 7.362 4.059 0.333) 8.414 7.867 ( 4.306 -5.119 -0.291) 6.695 8.417 ( -8.141 1.366 1.385) 8.371 8.800 ( -5.288 3.717 1.178) 6.570 9.428 ( 1.129 -2.389 4.302) 5.049 10.046 ( -1.513 1.975 -0.072) 2.489 11.124 ( 17.379 -6.923 8.505) 20.550 11.676 ( -4.772 -5.733 -2.640) 7.912 12.354 ( 9.665 20.468 -0.137) 22.636 13.487 ( 2.999 7.261 -4.246) 8.930 14.078 ( -10.983 -10.427 -0.277) 15.147 14.556 ( -1.110 13.674 -10.133) 17.055 15.428 ( -11.943 -0.616 7.361) 14.042 17.173 ( 6.602 -2.938 -0.385) 7.237 17.773 ( 10.235 -15.387 -10.518) 21.263 ======================= Grid point 533 (104/174) ======================= q-point: (-0.17 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -6.487 11.236 15.953) 20.563 2.482 ( -5.638 9.764 19.070) 22.153 3.826 ( 0.370 -0.641 5.167) 5.219 4.208 ( 1.100 -1.906 -2.924) 3.659 4.404 ( -2.428 4.205 -0.478) 4.879 4.739 ( 1.611 -2.790 -17.400) 17.696 5.470 ( -4.126 7.146 -23.184) 24.609 5.474 ( 7.273 -12.597 7.206) 16.233 5.622 ( 1.157 -2.005 7.787) 8.124 5.786 ( 6.487 -11.236 -4.753) 13.817 6.262 ( 2.088 -3.616 0.578) 4.215 6.990 ( 6.281 -10.879 2.475) 12.804 7.747 ( 0.933 -1.615 8.928) 9.120 7.906 ( 1.858 -3.219 -11.216) 11.816 8.330 ( -2.534 4.388 3.630) 6.233 8.775 ( -2.648 4.586 1.201) 5.430 9.420 ( 1.846 -3.198 5.079) 6.279 10.049 ( -1.856 3.214 -0.287) 3.722 11.266 ( 7.354 -12.737 8.269) 16.872 11.577 ( 0.714 -1.236 -3.739) 4.002 12.558 ( -5.997 10.387 2.727) 12.300 13.602 ( 0.925 -1.602 -14.997) 15.111 13.854 ( -2.167 3.754 3.951) 5.865 14.640 ( -7.265 12.583 -9.506) 17.363 15.306 ( -0.853 1.478 11.074) 11.204 17.216 ( 3.144 -5.445 0.721) 6.328 17.784 ( 9.374 -16.237 -11.360) 21.922 ======================= Grid point 545 (105/174) ======================= q-point: (-0.33 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -11.258 9.267 -2.109) 14.733 2.887 ( -13.521 3.036 13.526) 19.364 3.699 ( 6.086 -4.920 0.664) 7.854 4.098 ( 8.742 -0.253 -0.358) 8.753 4.357 ( -2.768 1.439 -4.182) 5.217 4.803 ( 5.169 -12.419 0.485) 13.460 5.239 ( -2.465 -2.614 -4.519) 5.773 5.270 ( 9.564 4.796 -3.299) 11.196 5.683 ( -4.375 2.555 -15.031) 15.861 5.856 ( -0.061 -5.391 -5.493) 7.697 6.295 ( -7.411 -4.542 4.675) 9.870 6.951 ( -1.880 -14.298 0.340) 14.425 7.582 ( 9.072 7.153 2.041) 11.731 7.744 ( 3.560 -5.689 2.436) 7.139 8.546 ( -5.855 0.422 1.232) 5.998 8.928 ( -6.982 0.462 0.842) 7.048 9.406 ( -0.708 -0.905 5.858) 5.970 10.058 ( 0.440 -1.089 2.927) 3.154 10.752 ( 18.080 -4.352 5.708) 19.452 11.679 ( -3.169 -6.661 -3.621) 8.217 12.425 ( 9.713 25.011 -4.364) 27.183 13.553 ( -1.754 7.351 -0.668) 7.587 14.102 ( -1.849 -5.515 9.905) 11.487 14.701 ( -1.046 10.348 -16.379) 19.402 15.641 ( -16.463 -4.703 8.879) 19.287 17.000 ( 8.700 -6.697 -10.932) 15.494 17.501 ( 6.896 -8.990 -8.097) 13.926 ======================= Grid point 546 (106/174) ======================= q-point: (-0.25 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -6.004 12.856 5.711) 15.295 2.706 ( -11.459 5.187 13.941) 18.777 3.744 ( 4.581 -5.184 -0.515) 6.938 4.175 ( 1.417 -1.649 0.446) 2.219 4.397 ( 5.638 1.484 -2.377) 6.296 4.686 ( -1.916 -11.726 -8.939) 14.869 5.251 ( 6.354 -5.891 2.729) 9.084 5.478 ( 9.195 4.670 -8.946) 13.653 5.640 ( -3.190 1.120 -15.198) 15.569 5.707 ( -7.469 -7.173 0.647) 10.375 6.243 ( 0.021 1.910 1.166) 2.238 6.806 ( 1.721 -12.731 2.595) 13.106 7.683 ( 2.892 -3.775 10.596) 11.614 7.852 ( 5.595 4.485 -9.575) 11.962 8.426 ( -6.229 -0.237 3.228) 7.020 8.855 ( -2.916 1.556 1.455) 3.612 9.377 ( -0.237 -1.896 6.631) 6.901 10.069 ( 1.214 -0.802 2.864) 3.212 10.975 ( 13.193 -7.357 4.949) 15.896 11.556 ( -2.212 -6.385 -3.118) 7.442 12.763 ( 1.054 20.525 -4.897) 21.127 13.588 ( -0.234 3.261 -6.453) 7.234 13.954 ( -7.042 -2.200 7.333) 10.402 14.875 ( 0.728 18.821 -13.586) 23.224 15.336 ( -9.669 -8.711 13.413) 18.689 17.054 ( 7.637 -10.463 -9.173) 15.873 17.522 ( 5.871 -9.005 -8.795) 13.889 ======================= Grid point 558 (107/174) ======================= q-point: (-0.42 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -6.695 2.578 -13.060) 14.901 3.085 ( -7.541 -1.374 9.799) 12.441 3.575 ( 3.343 -1.652 4.137) 5.570 3.961 ( 6.669 1.784 -1.004) 6.976 4.438 ( -5.952 0.605 0.395) 5.996 4.589 ( 5.790 -9.446 2.464) 11.350 5.189 ( 6.402 7.384 -5.011) 10.983 5.262 ( -4.355 -7.025 -4.643) 9.480 5.743 ( -2.327 -1.396 -20.193) 20.375 5.842 ( 0.092 1.010 -3.721) 3.857 6.388 ( -8.631 -7.516 6.829) 13.327 6.861 ( -3.286 -11.781 -3.201) 12.643 7.520 ( 8.821 11.636 2.010) 14.740 7.656 ( -0.294 -5.696 5.991) 8.272 8.616 ( -2.415 -0.470 1.466) 2.864 9.018 ( -5.667 -4.922 -0.224) 7.509 9.433 ( -1.335 1.389 8.287) 8.508 10.021 ( -0.495 -4.991 4.943) 7.042 10.498 ( 11.051 5.073 1.044) 12.204 11.666 ( -3.165 -6.444 -4.278) 8.358 12.484 ( 12.034 24.095 -5.436) 27.476 13.652 ( -0.866 5.881 -0.933) 6.018 14.063 ( 2.360 0.255 18.374) 18.526 14.775 ( 0.155 3.698 -18.154) 18.528 15.854 ( -13.761 -8.110 13.162) 20.697 16.791 ( 4.587 -8.055 -24.962) 26.628 17.376 ( 2.511 -1.350 -3.956) 4.877 ======================= Grid point 559 (108/174) ======================= q-point: (-0.33 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -5.244 6.769 -5.294) 10.067 2.928 ( -9.939 1.052 9.237) 13.609 3.628 ( 3.820 -1.446 1.293) 4.284 4.096 ( 7.013 0.327 1.030) 7.096 4.339 ( -1.819 -3.490 -1.443) 4.192 4.550 ( 2.489 -12.771 0.160) 13.012 5.153 ( -0.426 -6.155 -1.528) 6.356 5.379 ( 7.287 5.688 -10.651) 14.103 5.686 ( -2.508 -2.029 -21.021) 21.267 5.817 ( -5.890 2.997 3.011) 7.263 6.267 ( -0.763 0.249 3.144) 3.245 6.692 ( -2.606 -12.129 0.793) 12.431 7.601 ( 1.393 -4.685 4.215) 6.455 7.805 ( 8.753 11.176 -0.721) 14.214 8.522 ( -6.419 -2.796 2.521) 7.442 8.893 ( -2.975 -4.007 1.904) 5.341 9.406 ( -3.086 1.672 7.749) 8.507 9.989 ( 3.200 -6.793 5.123) 9.090 10.743 ( 11.388 4.031 0.254) 12.083 11.529 ( -3.635 -8.915 -3.249) 10.161 12.892 ( 8.178 21.938 -11.636) 26.145 13.668 ( -2.858 5.388 1.218) 6.220 14.037 ( -4.684 -0.954 13.584) 14.401 14.904 ( 8.138 6.603 -3.804) 11.149 15.526 ( -17.210 -3.339 3.011) 17.788 16.782 ( 7.787 -15.060 -21.672) 27.516 17.410 ( 2.536 -1.263 -4.020) 4.918 ======================= Grid point 560 (109/174) ======================= q-point: (-0.25 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -4.711 8.159 -0.922) 9.466 2.807 ( -3.401 5.890 8.055) 10.543 3.656 ( 1.489 -2.579 0.167) 2.982 4.155 ( 0.455 -0.788 2.311) 2.484 4.336 ( 4.152 -7.191 0.485) 8.318 4.477 ( 5.061 -8.766 -4.642) 11.136 5.122 ( 3.691 -6.393 0.666) 7.412 5.498 ( 1.336 -2.313 -14.209) 14.458 5.632 ( -0.499 0.864 -22.572) 22.594 5.762 ( -5.110 8.851 8.056) 13.014 6.294 ( -1.094 1.894 0.727) 2.305 6.589 ( 5.277 -9.140 3.386) 11.084 7.590 ( 2.740 -4.746 2.267) 5.931 7.965 ( -3.350 5.803 -1.763) 6.929 8.422 ( -0.128 0.221 4.264) 4.271 8.849 ( 1.216 -2.106 2.529) 3.509 9.384 ( -1.735 3.005 7.362) 8.139 9.985 ( 4.495 -7.785 5.396) 10.484 10.883 ( 0.935 -1.619 -0.217) 1.882 11.433 ( 3.564 -6.173 -2.863) 7.681 13.092 ( -6.713 11.628 -18.179) 22.600 13.674 ( -4.322 7.486 5.653) 10.328 13.965 ( -1.394 2.415 11.994) 12.314 15.078 ( 7.427 -12.863 22.824) 27.232 15.296 ( -11.333 19.629 -21.623) 31.326 16.772 ( 10.011 -17.340 -20.491) 28.650 17.427 ( 1.132 -1.960 -3.863) 4.477 ======================= Grid point 570 (110/174) ======================= q-point: (-0.42 0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -0.022 -0.039 -11.816) 11.816 3.020 ( -2.804 -4.857 7.675) 9.505 3.598 ( 1.930 3.344 4.462) 5.901 4.019 ( 2.388 4.136 0.252) 4.782 4.374 ( -4.679 -8.104 0.469) 9.370 4.427 ( -2.842 -4.923 2.864) 6.365 5.126 ( -3.747 -6.490 -2.223) 7.816 5.347 ( 4.566 7.908 -12.617) 15.575 5.695 ( -1.902 -3.294 -21.358) 21.694 5.895 ( 2.336 4.045 1.943) 5.059 6.270 ( -2.265 -3.923 6.004) 7.521 6.656 ( -5.596 -9.692 -1.193) 11.255 7.564 ( -1.975 -3.420 0.676) 4.007 7.784 ( 8.383 14.520 3.516) 17.131 8.567 ( -2.755 -4.773 2.298) 5.971 8.893 ( -3.891 -6.740 2.270) 8.107 9.460 ( 0.749 1.297 8.502) 8.633 9.905 ( -3.560 -6.167 4.872) 8.628 10.671 ( 6.623 11.472 -1.161) 13.297 11.514 ( -5.271 -9.130 -3.435) 11.088 12.927 ( 11.752 20.355 -13.836) 27.274 13.728 ( 1.916 3.319 2.160) 4.399 14.079 ( 0.290 0.502 19.323) 19.331 14.848 ( 0.925 1.602 -1.791) 2.575 15.692 ( -3.442 -5.962 1.771) 7.109 16.611 ( -5.665 -9.813 -28.209) 30.400 17.386 ( 0.834 1.444 -2.870) 3.319 ======================= Grid point 572 (111/174) ======================= q-point: (-0.33 0.58 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.252 2.831 -5.681) 6.352 2.921 ( -4.472 -1.574 2.780) 5.496 3.664 ( 0.095 4.537 3.068) 5.478 4.111 ( 4.886 0.997 2.435) 5.549 4.227 ( -2.287 -7.406 1.988) 8.002 4.350 ( 0.683 -6.885 0.565) 6.941 5.030 ( -0.117 -5.408 -0.605) 5.443 5.473 ( 2.775 4.134 -17.912) 18.591 5.628 ( -1.392 -3.647 -21.826) 22.173 5.955 ( -4.011 9.562 6.215) 12.089 6.273 ( 4.418 0.319 3.920) 5.915 6.478 ( -3.427 -10.063 2.456) 10.911 7.521 ( 0.567 -3.046 -3.608) 4.756 8.047 ( 4.844 12.852 3.365) 14.141 8.438 ( -4.666 -6.007 3.700) 8.458 8.796 ( -0.219 -4.906 4.034) 6.355 9.478 ( -2.726 5.711 7.031) 9.459 9.813 ( 2.885 -10.280 5.347) 11.941 10.890 ( 4.558 10.144 -2.023) 11.304 11.334 ( -2.664 -11.044 -2.879) 11.720 13.210 ( 3.135 9.443 -28.142) 29.849 13.836 ( 1.206 13.108 14.290) 19.429 14.043 ( -5.588 0.840 16.415) 17.361 14.809 ( 4.234 -14.154 23.571) 27.818 15.670 ( -7.467 16.769 -21.223) 28.061 16.446 ( 4.391 -19.115 -26.544) 33.004 17.410 ( 0.569 0.566 -2.455) 2.582 ======================= Grid point 585 (112/174) ======================= q-point: (-0.33 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -0.585 -1.013 -2.540) 2.797 2.892 ( 0.585 1.013 -2.540) 2.797 3.731 ( 0.000 0.000 2.739) 2.739 4.128 ( -0.649 -1.124 3.498) 3.731 4.128 ( 0.649 1.124 3.498) 3.731 4.284 ( 0.000 0.000 1.022) 1.022 4.974 ( 0.000 0.000 -0.624) 0.624 5.551 ( -2.029 -3.515 -20.933) 21.323 5.551 ( 2.029 3.515 -20.933) 21.323 6.086 ( 0.000 0.000 5.610) 5.610 6.312 ( -2.786 -4.826 4.469) 7.143 6.312 ( 2.786 4.826 4.469) 7.143 7.491 ( 0.000 0.000 -6.659) 6.659 8.279 ( -5.225 -9.050 4.173) 11.252 8.279 ( 5.225 9.050 4.173) 11.252 8.742 ( 0.000 0.000 5.091) 5.091 9.622 ( -4.463 -7.730 5.780) 10.634 9.622 ( 4.463 7.730 5.780) 10.634 11.109 ( -5.922 -10.257 -2.612) 12.128 11.109 ( 5.922 10.257 -2.612) 12.128 13.287 ( 0.000 0.000 -33.711) 33.711 14.049 ( -1.003 -1.736 16.398) 16.520 14.049 ( 1.003 1.736 16.398) 16.520 14.590 ( 0.000 0.000 32.475) 32.475 16.053 ( -10.428 -18.062 -26.844) 33.994 16.053 ( 10.428 18.062 -26.844) 33.994 17.417 ( 0.000 0.000 -2.146) 2.146 ======================= Grid point 628 (113/174) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 0.000 24.327) 24.327 2.571 ( 0.000 0.000 24.327) 24.327 4.018 ( 0.000 -0.000 36.868) 36.868 4.081 ( -0.000 -0.000 -11.743) 11.743 4.081 ( 0.000 0.000 -11.743) 11.743 4.487 ( -0.000 0.000 -13.625) 13.625 4.487 ( 0.000 0.000 -13.625) 13.625 6.361 ( 0.000 0.000 2.602) 2.602 6.420 ( 0.000 -0.000 -1.622) 1.622 6.420 ( 0.000 0.000 -1.622) 1.622 6.504 ( 0.000 0.000 10.138) 10.138 7.494 ( 0.000 -0.000 -7.488) 7.488 7.698 ( 0.000 0.000 -16.936) 16.936 7.984 ( -0.000 0.000 4.554) 4.554 7.984 ( 0.000 0.000 4.554) 4.554 8.503 ( 0.000 0.000 0.552) 0.552 9.594 ( -0.000 -0.000 1.341) 1.341 9.594 ( 0.000 0.000 1.341) 1.341 11.323 ( 0.000 -0.000 -3.022) 3.022 11.323 ( 0.000 0.000 -3.022) 3.022 13.333 ( -0.000 -0.000 -2.605) 2.605 13.333 ( 0.000 0.000 -2.605) 2.605 13.687 ( 0.000 -0.000 0.532) 0.532 14.664 ( -0.000 -0.000 3.104) 3.104 14.664 ( 0.000 0.000 3.104) 3.104 17.615 ( 0.000 0.000 7.874) 7.874 18.485 ( 0.000 -0.000 -8.360) 8.360 ======================= Grid point 629 (114/174) ======================= q-point: ( 0.08 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.065 -2.026 25.661) 25.763 2.620 ( 2.811 3.430 23.290) 23.709 3.972 ( -1.725 -1.209 16.808) 16.939 4.055 ( 1.073 -4.900 -7.829) 9.298 4.180 ( 3.252 7.729 2.003) 8.621 4.462 ( -0.930 2.652 -14.834) 15.098 4.597 ( 7.637 1.972 -14.666) 16.653 6.083 ( -10.861 -14.488 5.485) 18.919 6.310 ( -9.320 -4.929 3.586) 11.137 6.454 ( -7.169 1.829 3.791) 8.313 6.595 ( 3.469 6.113 -1.589) 7.206 7.454 ( -3.541 -0.565 -5.137) 6.265 7.554 ( -7.165 -7.284 -15.800) 18.816 8.052 ( 5.327 2.796 3.726) 7.077 8.095 ( 5.079 5.253 2.930) 7.872 8.532 ( 2.732 1.122 0.460) 2.989 9.574 ( -0.215 -3.099 1.529) 3.463 9.666 ( 4.792 5.064 -0.007) 6.971 11.295 ( 1.615 -3.284 -1.553) 3.976 11.413 ( 3.887 6.104 -4.361) 8.449 13.172 ( -12.709 -8.229 7.239) 16.782 13.334 ( 2.868 -10.974 -2.032) 11.524 13.688 ( -2.387 10.312 -8.626) 13.654 14.588 ( -3.807 2.116 6.185) 7.565 14.829 ( 10.975 1.945 -0.603) 11.163 17.573 ( -3.330 -2.730 7.767) 8.880 18.412 ( -7.007 -2.645 -8.326) 11.199 ======================= Grid point 630 (115/174) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 0.591 -4.026 26.435) 26.746 2.732 ( 5.365 5.228 20.777) 22.086 3.944 ( -1.572 -0.708 2.324) 2.894 4.044 ( 3.697 -4.437 -2.487) 6.288 4.285 ( 0.276 4.506 4.504) 6.377 4.528 ( 3.122 9.330 -16.167) 18.925 4.759 ( 8.431 2.328 -17.637) 19.687 5.776 ( -8.438 -13.822 9.736) 18.896 6.035 ( -12.409 -12.638 6.663) 18.923 6.299 ( -12.205 0.355 -1.881) 12.354 6.631 ( -7.139 9.301 1.604) 11.835 7.383 ( -5.008 -0.358 -6.413) 8.145 7.407 ( -1.434 -6.074 -12.855) 14.290 8.150 ( 0.670 2.841 5.549) 6.270 8.225 ( 5.913 5.099 1.600) 7.971 8.613 ( 5.061 1.846 0.433) 5.405 9.530 ( -0.787 -3.885 1.722) 4.322 9.827 ( 6.814 6.186 -2.088) 9.437 11.301 ( 3.015 -4.413 -0.990) 5.435 11.562 ( 5.070 8.006 -3.951) 10.267 12.723 ( -18.630 -25.377 12.647) 33.927 13.304 ( 2.856 -4.137 -0.229) 5.032 13.812 ( 1.320 14.837 -15.144) 21.242 14.557 ( -3.211 2.997 8.929) 9.951 15.053 ( 12.974 2.085 -4.025) 13.743 17.458 ( -5.116 -5.880 7.514) 10.827 18.204 ( -13.972 -3.290 -8.529) 16.697 ======================= Grid point 631 (116/174) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 1.330 -3.300 21.137) 21.435 2.895 ( 7.242 5.967 16.854) 19.291 3.882 ( -4.263 -1.889 -3.896) 6.076 4.081 ( 4.077 -4.103 -2.043) 6.135 4.274 ( -2.713 0.493 -0.108) 2.759 4.733 ( 5.829 14.067 -12.045) 19.415 4.910 ( 6.488 2.534 -19.668) 20.865 5.545 ( -6.193 -9.924 11.377) 16.318 5.685 ( -11.136 -14.913 7.106) 19.922 6.071 ( -12.396 -3.140 -4.672) 13.615 6.587 ( -9.412 12.970 5.381) 16.904 7.289 ( -4.649 -1.738 -10.422) 11.543 7.358 ( -0.445 -3.075 -6.046) 6.797 8.134 ( -4.770 2.454 7.368) 9.114 8.381 ( 6.833 3.792 0.833) 7.860 8.738 ( 6.789 3.366 0.604) 7.601 9.479 ( -0.329 -4.201 1.793) 4.579 9.986 ( 4.559 6.059 -2.433) 7.963 11.278 ( -1.687 -5.735 1.285) 6.115 11.698 ( 0.064 5.860 -4.006) 7.099 12.173 ( -10.180 -28.030 9.352) 31.253 13.348 ( 5.439 -1.552 2.835) 6.327 13.996 ( 3.113 14.701 -18.280) 23.664 14.531 ( -2.225 0.992 12.624) 12.857 15.300 ( 13.064 3.664 -7.268) 15.392 17.292 ( -6.204 -8.962 6.861) 12.880 17.897 ( -18.629 -2.290 -9.116) 20.866 ======================= Grid point 632 (117/174) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 2.739 -0.322 8.697) 9.124 3.079 ( 7.516 5.654 11.933) 15.195 3.769 ( -6.832 -1.251 -3.927) 7.979 4.042 ( -2.000 -7.181 -4.407) 8.660 4.280 ( 3.415 0.830 1.881) 3.987 4.914 ( -1.377 10.639 -10.457) 14.981 5.047 ( 5.815 4.937 -14.959) 16.791 5.273 ( -9.341 -13.442 6.830) 17.737 5.498 ( -2.107 -4.678 3.537) 6.231 5.854 ( -7.363 -5.326 -4.580) 10.176 6.596 ( -5.970 15.947 6.411) 18.195 7.182 ( -8.380 1.708 -7.100) 11.115 7.317 ( 1.527 -7.378 -5.067) 9.079 8.060 ( -6.524 2.996 8.670) 11.257 8.516 ( 5.812 1.933 0.694) 6.165 8.899 ( 6.913 5.298 0.396) 8.719 9.448 ( 1.772 -3.736 2.140) 4.656 10.093 ( 1.612 5.466 -0.713) 5.744 11.031 ( -17.565 -13.136 7.127) 23.062 11.595 ( -5.346 -5.006 -12.180) 14.212 12.043 ( 11.563 -11.478 7.743) 18.039 13.446 ( 7.473 -1.325 4.575) 8.862 14.185 ( 2.389 13.852 -20.283) 24.678 14.501 ( -0.366 -2.638 17.610) 17.810 15.569 ( 13.203 6.711 -10.676) 18.258 17.059 ( -10.583 -11.390 3.765) 15.997 17.577 ( -16.434 -0.020 -8.024) 18.288 ======================= Grid point 633 (118/174) ======================= q-point: ( 0.42 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 1.292 1.749 -5.863) 6.253 3.236 ( 4.994 3.645 6.796) 9.187 3.665 ( -4.419 1.194 -1.294) 4.757 3.925 ( -2.960 -6.516 -1.276) 7.269 4.386 ( 8.223 0.466 3.582) 8.982 4.826 ( -11.332 -6.055 4.552) 13.631 5.046 ( -1.162 0.610 -7.206) 7.325 5.257 ( 2.855 7.088 -8.090) 11.128 5.420 ( -4.137 -0.550 -9.811) 10.662 5.748 ( 0.570 -5.388 -1.130) 5.535 6.694 ( -1.771 17.135 4.630) 17.838 7.036 ( -12.465 4.343 -3.923) 13.771 7.271 ( 4.373 -11.599 -3.836) 12.975 7.991 ( -5.799 4.727 9.604) 12.174 8.610 ( 3.947 0.143 1.055) 4.088 9.041 ( 3.198 4.460 -0.852) 5.554 9.488 ( 5.968 -1.188 4.010) 7.287 10.151 ( -0.306 4.338 1.632) 4.644 10.575 ( -16.842 -13.553 3.256) 21.862 11.515 ( -0.777 -3.000 -14.487) 14.815 12.138 ( 10.728 -10.446 8.817) 17.377 13.554 ( 6.868 -2.646 4.510) 8.632 14.328 ( -0.189 11.229 -20.098) 23.023 14.469 ( 1.141 -5.347 21.697) 22.375 15.885 ( 14.887 10.217 -14.044) 22.874 16.706 ( -17.808 -10.602 -1.672) 20.793 17.379 ( -7.787 1.152 -4.098) 8.874 ======================= Grid point 634 (119/174) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -1.093 1.893 -12.755) 12.941 3.297 ( -0.167 0.289 4.352) 4.365 3.644 ( -1.698 2.941 0.173) 3.401 3.856 ( 1.935 -3.351 1.331) 4.092 4.549 ( 2.142 -3.710 3.077) 5.275 4.594 ( 1.925 -3.334 7.976) 8.856 5.051 ( -2.297 3.979 -5.345) 7.049 5.304 ( -3.616 6.263 -5.133) 8.869 5.392 ( -0.713 1.235 -18.562) 18.617 5.733 ( 2.753 -4.769 0.026) 5.507 6.841 ( -8.870 15.362 9.626) 20.182 6.873 ( -4.286 7.423 -9.047) 12.462 7.250 ( 7.050 -12.211 -3.068) 14.430 7.964 ( -3.737 6.473 9.944) 12.440 8.645 ( 0.996 -1.726 1.345) 2.404 9.086 ( -1.023 1.773 -1.725) 2.677 9.563 ( 1.433 -2.481 6.354) 6.970 10.168 ( -1.098 1.901 2.639) 3.432 10.336 ( 1.122 -1.943 -0.392) 2.277 11.495 ( 0.909 -1.574 -14.822) 14.933 12.179 ( 7.242 -12.544 9.336) 17.232 13.602 ( 2.968 -5.141 3.938) 7.124 14.388 ( -3.696 6.402 -21.741) 22.963 14.444 ( 2.263 -3.920 25.601) 25.998 16.211 ( -0.150 0.259 -30.427) 30.429 16.349 ( -1.878 3.254 11.176) 11.791 17.322 ( -1.598 2.768 -2.521) 4.071 ======================= Grid point 642 (120/174) ======================= q-point: ( 0.08 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -1.245 -2.156 27.294) 27.407 2.709 ( 3.321 5.752 20.681) 21.721 3.965 ( 0.548 0.949 12.705) 12.753 3.974 ( -2.043 -3.539 -9.842) 10.657 4.316 ( 2.520 4.364 4.625) 6.840 4.552 ( 4.186 7.250 -18.542) 20.344 4.686 ( 4.084 7.074 -15.763) 17.753 5.780 ( -8.575 -14.853 10.337) 20.025 6.076 ( -9.477 -16.415 6.192) 19.940 6.409 ( -4.134 -7.160 -1.384) 8.383 6.748 ( 3.969 6.875 0.299) 7.944 7.370 ( -5.438 -9.419 -16.804) 20.017 7.444 ( -0.191 -0.331 -3.504) 3.525 8.145 ( 3.442 5.962 3.392) 7.675 8.208 ( 2.810 4.867 2.130) 6.010 8.577 ( 2.068 3.582 0.595) 4.178 9.509 ( -2.037 -3.529 2.430) 4.744 9.804 ( 5.122 8.872 -2.381) 10.517 11.249 ( -0.775 -1.342 -0.569) 1.650 11.557 ( 4.664 8.078 -4.143) 10.207 12.755 ( -17.019 -29.479 12.223) 36.167 13.255 ( -0.295 -0.512 1.890) 1.981 13.881 ( 5.392 9.340 -14.747) 18.270 14.636 ( 1.053 1.824 8.326) 8.588 14.917 ( 4.255 7.369 -3.986) 9.396 17.473 ( -4.251 -7.363 7.388) 11.264 18.308 ( -4.656 -8.065 -8.539) 12.634 ======================= Grid point 643 (121/174) ======================= q-point: ( 0.17 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -0.011 -1.423 23.980) 24.022 2.841 ( 5.431 5.966 17.437) 19.213 3.906 ( -1.951 -3.205 -6.764) 7.735 4.007 ( 2.345 0.471 5.008) 5.550 4.321 ( -2.592 -1.164 -1.852) 3.392 4.757 ( 7.112 13.607 -15.497) 21.814 4.845 ( 6.061 6.496 -17.818) 19.910 5.541 ( -5.240 -9.732 13.418) 17.384 5.715 ( -12.047 -19.278 7.114) 23.820 6.205 ( -9.704 -9.061 -3.276) 13.675 6.822 ( -3.611 8.600 5.280) 10.719 7.234 ( -1.204 -6.863 -19.268) 20.489 7.437 ( -2.078 2.112 -2.814) 4.086 8.222 ( -2.095 4.047 4.443) 6.364 8.300 ( 5.766 1.940 1.420) 6.247 8.676 ( 4.940 4.983 0.957) 7.082 9.439 ( -1.181 -5.144 3.133) 6.138 9.990 ( 5.203 10.222 -4.354) 12.268 11.235 ( 0.771 -2.451 0.087) 2.571 11.709 ( 4.372 6.675 -2.402) 8.333 12.131 ( -18.994 -33.549 13.429) 40.825 13.271 ( 2.485 0.000 4.087) 4.783 14.060 ( 4.501 10.801 -15.183) 19.169 14.641 ( -4.580 5.371 9.004) 11.441 15.109 ( 11.652 3.743 -7.531) 14.370 17.299 ( -5.981 -10.193 6.334) 13.408 18.103 ( -10.678 -7.230 -8.676) 15.542 ======================= Grid point 644 (122/174) ======================= q-point: ( 0.25 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 2.075 2.413 13.768) 14.131 3.001 ( 7.087 4.877 13.198) 15.754 3.839 ( -3.070 -2.280 -4.332) 5.778 4.016 ( -0.912 -2.810 -1.364) 3.254 4.254 ( -1.429 -2.794 -1.604) 3.524 4.989 ( 3.314 7.860 -16.405) 18.490 5.022 ( 6.978 12.884 -15.699) 21.475 5.299 ( -11.988 -18.225 8.433) 23.387 5.447 ( 0.279 -6.054 10.933) 12.501 5.942 ( -10.010 -9.265 -4.449) 14.347 6.834 ( -4.776 10.291 6.201) 12.929 7.175 ( -0.611 -3.439 -15.863) 16.243 7.400 ( -5.282 2.513 -3.040) 6.592 8.180 ( -5.246 1.744 5.390) 7.721 8.416 ( 6.655 -0.475 1.417) 6.821 8.838 ( 6.968 7.048 0.929) 9.954 9.377 ( 0.501 -5.741 3.662) 6.828 10.153 ( 1.645 10.683 -4.116) 11.566 11.157 ( -9.709 -8.167 5.188) 13.707 11.562 ( -7.453 -25.287 0.157) 26.363 11.833 ( 5.283 0.775 4.681) 7.101 13.337 ( 4.865 0.573 5.923) 7.686 14.238 ( 5.005 8.407 -9.938) 13.946 14.596 ( -7.539 7.218 6.684) 12.394 15.369 ( 15.152 3.211 -11.152) 19.086 17.079 ( -7.124 -12.650 3.862) 15.023 17.829 ( -14.221 -4.682 -8.062) 17.004 ======================= Grid point 645 (123/174) ======================= q-point: ( 0.33 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 2.205 5.251 -0.036) 5.695 3.159 ( 6.948 2.407 8.186) 11.004 3.760 ( -4.660 0.442 -1.941) 5.068 3.930 ( -3.984 -4.304 -3.524) 6.842 4.253 ( 4.924 -3.322 2.809) 6.571 4.901 ( -11.336 -17.010 7.402) 21.740 5.088 ( 0.543 6.564 -11.100) 12.907 5.272 ( 5.486 11.129 -15.122) 19.561 5.439 ( 0.879 -1.775 3.030) 3.620 5.725 ( -4.911 -7.407 -4.639) 10.025 6.879 ( -1.506 9.968 1.557) 10.201 7.135 ( -2.044 -0.459 -8.441) 8.697 7.304 ( -9.264 3.184 -2.315) 10.066 8.104 ( -4.665 0.848 6.375) 7.945 8.510 ( 6.306 -2.569 1.622) 7.000 9.013 ( 5.031 5.375 -0.353) 7.371 9.371 ( 4.923 -2.772 4.823) 7.429 10.244 ( -2.674 9.120 -1.976) 9.707 10.730 ( -18.274 -16.928 7.112) 25.906 11.425 ( 4.614 -10.232 -9.541) 14.731 11.914 ( 6.033 -3.754 8.424) 11.021 13.435 ( 5.661 0.574 6.737) 8.818 14.356 ( 3.890 -1.863 9.594) 10.519 14.559 ( -7.742 13.747 -8.491) 17.917 15.681 ( 17.488 4.559 -14.489) 23.163 16.803 ( -10.159 -14.728 -0.745) 17.907 17.571 ( -12.361 -0.488 -5.598) 13.579 ======================= Grid point 646 (124/174) ======================= q-point: ( 0.42 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -0.742 5.008 -10.782) 11.912 3.259 ( 3.769 -1.151 4.177) 5.743 3.722 ( -2.439 4.530 -0.946) 5.231 3.830 ( -2.719 -3.113 0.647) 4.184 4.357 ( 11.047 -2.987 4.884) 12.443 4.581 ( -7.410 -15.166 7.491) 18.467 5.146 ( -1.788 6.924 -4.801) 8.614 5.401 ( -2.379 -0.952 -7.159) 7.604 5.420 ( 0.559 7.406 -16.064) 17.698 5.654 ( 1.667 -4.048 -2.368) 4.977 6.973 ( 1.916 7.884 -6.281) 10.260 7.090 ( -1.481 -4.166 -6.268) 7.670 7.180 ( -11.989 11.580 5.382) 17.516 8.054 ( -2.254 1.113 6.854) 7.300 8.570 ( 4.488 -4.286 1.986) 6.516 9.082 ( 1.459 -0.721 -1.315) 2.092 9.490 ( 6.531 2.299 6.502) 9.499 10.189 ( -6.273 -4.580 -0.773) 7.805 10.419 ( -6.937 1.952 3.376) 7.958 11.417 ( 3.893 -7.094 -12.238) 14.671 11.960 ( 5.921 -7.674 11.104) 14.739 13.516 ( 3.344 -0.714 6.493) 7.338 14.349 ( 2.628 -7.133 24.611) 25.758 14.591 ( -7.095 15.585 -20.069) 26.382 16.039 ( 18.540 5.470 -18.327) 26.637 16.456 ( -12.965 -14.896 -3.003) 19.975 17.427 ( -6.363 3.603 -2.872) 7.856 ======================= Grid point 655 (125/174) ======================= q-point: ( 0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 1.957 3.390 15.733) 16.213 2.961 ( 3.623 6.275 13.676) 15.477 3.847 ( -1.476 -2.557 -5.143) 5.930 4.013 ( -0.476 -0.824 1.488) 1.766 4.257 ( -2.652 -4.593 -3.680) 6.455 4.992 ( 4.609 7.983 -18.803) 20.941 5.033 ( 8.194 14.193 -15.973) 22.885 5.314 ( -12.252 -21.221 7.357) 25.584 5.410 ( -2.233 -3.868 14.659) 15.324 5.984 ( -7.412 -12.837 -3.407) 15.210 6.915 ( 0.455 0.788 3.115) 3.245 7.187 ( 1.383 2.396 -13.701) 13.978 7.454 ( -0.340 -0.589 -5.154) 5.199 8.268 ( -0.838 -1.452 -0.096) 1.680 8.316 ( 1.067 1.848 5.183) 5.605 8.813 ( 5.168 8.951 1.737) 10.480 9.342 ( -2.602 -4.507 4.825) 7.097 10.200 ( 6.149 10.650 -5.998) 13.682 11.201 ( -0.850 -1.472 0.357) 1.737 11.472 ( -18.968 -32.854 13.351) 40.217 11.811 ( 2.047 3.545 -1.083) 4.234 13.298 ( 1.633 2.828 6.797) 7.541 14.228 ( 3.573 6.189 -3.239) 7.846 14.746 ( 2.904 5.031 0.232) 5.813 15.215 ( 4.487 7.772 -11.485) 14.575 17.075 ( -7.293 -12.631 3.606) 15.025 17.929 ( -5.969 -10.338 -8.007) 14.374 ======================= Grid point 656 (126/174) ======================= q-point: ( 0.25 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 3.229 7.133 4.311) 8.938 3.078 ( 4.787 2.919 9.067) 10.661 3.807 ( -1.453 -0.774 -1.976) 2.572 3.963 ( -3.054 -2.662 -3.423) 5.304 4.177 ( -0.620 -4.665 1.100) 4.833 4.905 ( -11.351 -20.126 8.465) 24.608 5.136 ( 2.537 7.641 -18.513) 20.188 5.288 ( 6.304 12.020 -17.641) 22.258 5.391 ( 2.115 -0.424 12.149) 12.339 5.741 ( -6.863 -10.715 -4.045) 13.353 6.908 ( 0.217 -0.740 -6.620) 6.665 7.265 ( -2.489 10.695 -1.183) 11.044 7.418 ( -2.063 -0.696 -5.923) 6.311 8.188 ( -5.835 -1.047 0.859) 5.990 8.366 ( 5.640 -4.280 4.072) 8.168 8.991 ( 4.668 7.009 0.610) 8.444 9.291 ( 1.701 -1.520 7.047) 7.407 10.374 ( 0.902 11.050 -5.736) 12.482 10.852 ( -18.753 -22.717 9.303) 30.892 11.215 ( 5.661 -8.712 -0.684) 10.412 11.850 ( 0.899 -0.191 2.219) 2.402 13.378 ( 3.762 3.753 9.042) 10.488 14.286 ( 1.059 -2.477 13.785) 14.046 14.832 ( -4.459 15.654 -12.556) 20.557 15.426 ( 14.416 2.925 -14.733) 20.819 16.810 ( -8.518 -14.989 -0.963) 17.267 17.724 ( -8.347 -5.722 -6.120) 11.827 ======================= Grid point 657 (127/174) ======================= q-point: ( 0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 0.745 7.366 -5.858) 9.441 3.167 ( 4.717 -1.644 4.417) 6.668 3.787 ( -1.370 2.249 1.084) 2.848 3.882 ( -4.274 -0.524 -3.803) 5.745 4.171 ( 5.841 -4.615 5.193) 9.077 4.552 ( -8.420 -17.513 8.196) 21.090 5.230 ( 0.218 7.302 -11.194) 13.367 5.408 ( -0.366 -0.771 -2.619) 2.755 5.470 ( 2.319 7.129 -13.190) 15.171 5.592 ( 0.227 -5.507 -4.338) 7.014 6.932 ( 2.959 0.460 -9.737) 10.187 7.225 ( -9.030 3.273 -7.516) 12.196 7.439 ( -3.369 12.337 5.710) 14.005 8.081 ( -3.669 -3.004 1.801) 5.072 8.416 ( 6.662 -7.094 3.430) 10.319 9.046 ( 0.602 -2.268 0.061) 2.347 9.415 ( 7.562 7.681 7.329) 13.034 10.294 ( -13.442 -10.821 -1.356) 17.310 10.546 ( -3.523 5.227 3.711) 7.314 11.235 ( 6.581 -9.334 -4.054) 12.119 11.850 ( 1.426 -3.136 5.080) 6.138 13.482 ( 3.156 4.494 10.358) 11.724 14.236 ( 0.751 -8.787 22.515) 24.181 14.899 ( -8.151 19.397 -17.410) 27.309 15.743 ( 19.970 2.027 -16.593) 26.043 16.492 ( -10.633 -17.287 -6.309) 21.253 17.564 ( -6.723 -0.118 -3.604) 7.629 ======================= Grid point 658 (128/174) ======================= q-point: ( 0.42 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -3.160 5.473 -10.099) 11.914 3.199 ( 2.748 -4.760 2.425) 6.007 3.805 ( -0.675 1.169 3.245) 3.514 3.824 ( -2.731 4.731 -3.389) 6.428 4.281 ( 4.321 -7.484 5.691) 10.348 4.310 ( 5.124 -8.875 8.539) 13.340 5.279 ( -3.738 6.474 -4.226) 8.587 5.369 ( 1.001 -1.733 -8.465) 8.699 5.524 ( -1.619 2.804 -16.749) 17.059 5.593 ( 1.484 -2.570 -3.180) 4.350 6.985 ( 0.439 -0.761 -8.186) 8.233 7.130 ( -2.791 4.834 -12.238) 13.451 7.478 ( -9.234 15.994 10.030) 21.016 8.031 ( 1.613 -2.793 1.927) 3.757 8.440 ( 5.206 -9.017 3.338) 10.934 9.033 ( 1.931 -3.345 0.381) 3.881 9.561 ( -2.174 3.766 7.691) 8.835 10.071 ( 2.495 -4.322 -1.936) 5.353 10.559 ( -5.262 9.114 3.106) 10.973 11.246 ( 5.804 -10.052 -5.943) 13.040 11.846 ( 2.386 -4.134 6.387) 7.974 13.538 ( -1.700 2.944 10.607) 11.139 14.190 ( 5.116 -8.861 24.545) 26.593 14.926 ( -10.695 18.524 -17.899) 27.891 16.082 ( 3.481 -6.030 -27.270) 28.145 16.159 ( 5.845 -10.123 1.579) 11.795 17.506 ( -2.350 4.070 -2.429) 5.290 ======================= Grid point 665 (129/174) ======================= q-point: (-0.08 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -0.820 1.421 25.557) 25.610 2.645 ( -2.473 4.283 22.999) 23.525 3.952 ( 0.737 -1.276 6.272) 6.443 4.122 ( -0.671 1.163 -7.679) 7.796 4.204 ( -3.443 5.963 7.974) 10.535 4.429 ( 0.533 -0.923 -15.128) 15.165 4.740 ( -4.637 8.032 -17.381) 19.701 5.989 ( 4.748 -8.223 6.394) 11.447 6.126 ( 6.451 -11.174 4.280) 13.594 6.260 ( 7.110 -12.315 4.033) 14.781 6.532 ( 3.464 -5.999 -0.803) 6.973 7.364 ( 3.427 -5.936 -1.643) 7.049 7.503 ( 1.067 -1.848 -17.740) 17.867 8.125 ( -0.379 0.657 5.887) 5.936 8.156 ( -3.836 6.645 2.594) 8.099 8.596 ( -2.603 4.508 0.298) 5.214 9.572 ( 0.957 -1.658 1.190) 2.254 9.763 ( -4.473 7.747 -1.081) 9.011 11.396 ( -3.084 5.341 -0.098) 6.168 11.428 ( -1.447 2.505 -5.804) 6.485 12.992 ( 7.958 -13.784 14.023) 21.213 13.471 ( 3.652 -6.326 -11.304) 13.459 13.525 ( -3.689 6.390 -6.295) 9.699 14.528 ( 0.790 -1.368 7.292) 7.461 15.032 ( -6.400 11.086 -2.616) 13.065 17.517 ( 2.417 -4.186 7.769) 9.149 18.235 ( 7.582 -13.133 -8.301) 17.288 ======================= Grid point 669 (130/174) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 4.123 7.141 -3.089) 8.805 3.110 ( 0.177 0.307 4.215) 4.230 3.813 ( 0.810 1.403 1.246) 2.044 3.919 ( -0.964 -1.669 -4.469) 4.867 4.095 ( -1.772 -3.069 4.737) 5.916 4.536 ( -10.005 -17.329 8.488) 21.736 5.267 ( 2.998 5.193 -18.634) 19.575 5.407 ( 1.524 2.640 7.306) 7.916 5.486 ( 3.980 6.894 -14.140) 16.227 5.556 ( -4.274 -7.403 -6.207) 10.564 6.910 ( 1.171 2.028 -11.062) 11.307 7.345 ( -2.823 -4.889 -9.768) 11.282 7.512 ( 6.776 11.736 7.319) 15.402 8.135 ( -2.767 -4.793 -4.584) 7.186 8.278 ( -2.152 -3.727 8.478) 9.507 9.029 ( -1.286 -2.227 0.750) 2.678 9.390 ( 6.077 10.526 7.650) 14.362 10.366 ( -10.797 -18.701 -0.187) 21.595 10.613 ( 3.615 6.262 1.103) 7.315 11.108 ( -2.089 -3.618 0.780) 4.250 11.827 ( -1.063 -1.841 2.183) 3.047 13.481 ( 3.848 6.665 12.291) 14.502 14.182 ( -4.320 -7.482 21.395) 23.073 15.134 ( 7.730 13.388 -14.851) 21.437 15.513 ( 4.385 7.594 -18.000) 20.023 16.496 ( -10.064 -17.432 -6.898) 21.278 17.623 ( -2.473 -4.283 -3.974) 6.344 ======================= Grid point 670 (131/174) ======================= q-point: ( 0.33 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -0.478 6.765 -6.427) 9.344 3.100 ( 2.008 -4.990 0.503) 5.402 3.848 ( -0.716 4.225 3.757) 5.698 3.899 ( -1.564 1.604 -4.499) 5.026 4.093 ( 6.082 -3.026 7.064) 9.801 4.249 ( -6.085 -13.217 7.963) 16.586 5.327 ( 1.138 0.452 -8.594) 8.681 5.414 ( -4.408 4.007 -2.102) 6.317 5.521 ( 4.055 -0.962 -10.335) 11.143 5.557 ( 0.248 0.423 -12.876) 12.886 6.989 ( 2.624 5.489 -10.869) 12.456 7.220 ( -5.654 -3.074 -11.339) 13.038 7.721 ( 1.051 15.099 9.421) 17.829 8.010 ( -5.506 -3.600 -3.089) 7.268 8.240 ( 5.602 -10.838 6.618) 13.880 8.981 ( -0.057 -3.197 1.752) 3.646 9.608 ( 5.055 10.810 5.636) 13.198 10.037 ( -7.197 -12.639 0.043) 14.544 10.722 ( -1.884 9.673 1.566) 9.979 11.062 ( 3.532 -8.595 -0.251) 9.296 11.795 ( 0.114 -2.293 2.134) 3.135 13.611 ( 1.113 8.685 14.744) 17.148 14.036 ( -0.165 -11.455 22.262) 25.037 15.288 ( -8.241 20.280 -13.022) 25.471 15.767 ( 20.003 0.707 -17.527) 26.605 16.136 ( -11.268 -19.123 -12.924) 25.685 17.566 ( -1.876 0.267 -2.631) 3.242 ======================= Grid point 676 (132/174) ======================= q-point: (-0.17 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 3.757 4.286 23.827) 24.499 2.777 ( -8.015 2.545 20.053) 21.745 3.906 ( 2.601 -3.314 -1.730) 4.554 4.147 ( -0.600 3.697 -4.249) 5.664 4.295 ( 2.951 4.415 2.495) 5.868 4.483 ( -11.222 -2.617 -10.970) 15.910 4.888 ( -4.163 6.714 -21.089) 22.520 5.764 ( 14.712 -1.137 8.563) 17.061 5.899 ( 11.001 -9.449 7.434) 16.297 6.029 ( 1.465 -15.893 -1.634) 16.044 6.404 ( 0.828 -10.652 1.713) 10.821 7.241 ( 2.480 -8.814 1.520) 9.282 7.487 ( 2.877 5.046 -16.298) 17.302 8.099 ( 1.255 -4.070 7.966) 9.033 8.300 ( -6.312 4.530 1.970) 8.015 8.699 ( -3.952 5.095 0.539) 6.470 9.529 ( 2.012 -1.336 1.433) 2.808 9.919 ( -5.071 6.163 -1.680) 8.156 11.402 ( 5.618 4.554 -1.549) 7.396 11.555 ( -8.093 -2.147 -2.323) 8.689 12.620 ( 20.718 -6.671 6.785) 22.799 13.394 ( 1.208 3.844 -3.036) 5.044 13.724 ( -12.815 -0.012 -10.668) 16.674 14.526 ( -0.475 0.994 7.911) 7.987 15.242 ( -7.095 8.685 -4.290) 12.007 17.413 ( 5.688 -3.324 8.031) 10.388 17.922 ( 10.953 -17.903 -9.286) 22.951 ======================= Grid point 682 (133/174) ======================= q-point: ( 0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -3.118 -5.400 -3.414) 7.109 2.988 ( 3.118 5.400 -3.414) 7.109 3.918 ( -0.000 -0.000 -4.765) 4.765 3.922 ( -0.000 -0.000 4.489) 4.489 4.075 ( -1.437 -2.489 7.792) 8.305 4.075 ( 1.437 2.489 7.792) 8.305 5.314 ( -0.000 -0.000 -3.801) 3.801 5.504 ( -0.000 -0.000 11.858) 11.858 5.519 ( -1.286 -2.227 -21.444) 21.597 5.519 ( 1.286 2.227 -21.444) 21.597 7.118 ( -3.413 -5.912 -11.284) 13.188 7.118 ( 3.413 5.912 -11.284) 13.188 7.962 ( -0.000 -0.000 -8.650) 8.650 8.006 ( -6.079 -10.528 10.543) 16.092 8.006 ( 6.079 10.528 10.543) 16.092 8.947 ( -0.000 -0.000 2.317) 2.317 9.815 ( -5.326 -9.225 2.196) 10.876 9.815 ( 5.326 9.225 2.196) 10.876 10.897 ( -4.262 -7.382 1.497) 8.655 10.897 ( 4.262 7.382 1.497) 8.655 11.771 ( -0.000 -0.000 0.833) 0.833 13.809 ( -5.684 -9.845 19.051) 22.185 13.809 ( 5.684 9.845 19.051) 22.185 15.595 ( -0.000 -0.000 2.278) 2.278 15.807 ( -4.360 -7.551 -23.148) 24.736 15.807 ( 4.360 7.551 -23.148) 24.736 17.570 ( -0.000 -0.000 -2.402) 2.402 ======================= Grid point 689 (134/174) ======================= q-point: (-0.25 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 3.230 5.271 15.800) 16.966 2.951 ( -9.576 2.181 15.466) 18.321 3.797 ( 4.778 -5.764 -4.918) 8.958 4.201 ( 5.432 6.027 -7.494) 11.045 4.237 ( -0.964 -0.971 3.117) 3.404 4.669 ( -12.289 -5.041 -7.687) 15.347 5.010 ( -3.342 6.089 -20.100) 21.266 5.498 ( 13.997 -4.929 8.827) 17.267 5.616 ( 10.883 -6.086 1.429) 12.550 5.898 ( 1.568 -6.714 -0.266) 6.900 6.334 ( -4.993 -9.803 3.998) 11.705 7.109 ( 1.784 -11.227 2.157) 11.571 7.495 ( 4.581 9.236 -11.266) 15.272 8.012 ( 2.264 -7.066 9.047) 11.700 8.445 ( -6.715 2.450 1.176) 7.244 8.824 ( -5.312 4.303 1.174) 6.936 9.490 ( 1.138 -0.553 1.824) 2.220 10.039 ( -3.149 4.206 -0.367) 5.267 11.246 ( 14.533 -5.916 4.562) 16.341 11.584 ( -1.469 -7.424 -6.242) 9.810 12.339 ( 12.025 10.642 -2.698) 16.283 13.471 ( -3.022 7.203 3.790) 8.683 13.940 ( -12.426 0.518 -12.613) 17.713 14.555 ( 0.417 4.352 8.752) 9.783 15.441 ( -9.206 4.519 -6.087) 11.925 17.234 ( 11.482 -7.235 6.599) 15.091 17.572 ( 8.602 -15.687 -9.827) 20.412 ======================= Grid point 690 (135/174) ======================= q-point: (-0.17 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -1.598 2.769 18.502) 18.776 2.846 ( -2.974 5.151 16.972) 17.984 3.810 ( 3.688 -6.388 -5.187) 9.018 4.194 ( -1.317 2.281 1.587) 3.075 4.382 ( 0.870 -1.507 -17.522) 17.608 4.457 ( -2.037 3.528 4.495) 6.066 5.016 ( -3.831 6.636 -22.165) 23.452 5.626 ( 7.830 -13.561 7.824) 17.505 5.699 ( 8.460 -14.653 -4.503) 17.509 5.814 ( 0.199 -0.346 10.624) 10.632 6.257 ( 2.479 -4.294 -0.207) 4.962 7.064 ( 5.252 -9.097 5.063) 11.661 7.589 ( -2.997 5.190 -13.260) 14.551 7.999 ( 3.490 -6.045 9.206) 11.553 8.389 ( -2.600 4.504 2.217) 5.654 8.801 ( -3.009 5.211 1.343) 6.165 9.494 ( 1.064 -1.842 2.125) 3.007 10.039 ( -3.221 5.580 -0.413) 6.456 11.391 ( 7.067 -12.240 5.189) 15.057 11.476 ( 0.315 -0.546 -6.248) 6.279 12.517 ( 1.416 -2.453 -8.697) 9.147 13.481 ( -3.807 6.593 3.767) 8.494 13.825 ( -5.062 8.767 -6.690) 12.134 14.584 ( -2.703 4.681 3.859) 6.642 15.379 ( -3.086 5.345 -3.587) 7.138 17.296 ( 6.551 -11.347 7.471) 15.082 17.567 ( 8.878 -15.378 -10.390) 20.573 ======================= Grid point 702 (136/174) ======================= q-point: (-0.33 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 2.037 3.925 2.218) 4.947 3.126 ( -8.931 0.836 10.225) 13.602 3.667 ( 3.564 -4.316 -3.046) 6.373 4.077 ( 9.376 1.670 -3.141) 10.028 4.336 ( -6.114 2.542 3.085) 7.305 4.745 ( -5.399 -10.532 -5.401) 13.009 5.106 ( 0.382 2.908 -12.909) 13.238 5.244 ( 8.072 -1.676 3.888) 9.115 5.427 ( 4.384 -7.051 -8.625) 11.971 5.844 ( 2.741 2.520 1.968) 4.211 6.386 ( -10.879 -7.434 4.741) 14.003 6.957 ( 2.684 -12.498 0.658) 12.800 7.508 ( 6.422 12.345 -5.471) 14.952 7.903 ( 1.051 -8.855 9.577) 13.086 8.566 ( -5.437 0.977 0.626) 5.559 8.947 ( -5.610 1.140 1.146) 5.838 9.497 ( -1.727 1.774 3.047) 3.926 10.105 ( -1.239 1.533 2.083) 2.868 10.840 ( 20.475 -9.794 3.600) 22.981 11.528 ( 0.488 -4.409 -10.931) 11.797 12.353 ( 4.388 14.602 -3.286) 15.597 13.604 ( -2.371 9.173 6.209) 11.328 14.147 ( -10.444 2.437 -11.484) 15.713 14.577 ( 3.695 5.853 10.302) 12.411 15.661 ( -14.612 1.155 -8.542) 16.965 16.860 ( 16.409 -18.097 -2.047) 24.515 17.381 ( 3.812 -4.390 -4.053) 7.088 ======================= Grid point 703 (137/174) ======================= q-point: (-0.25 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 3.754 5.785 8.441) 10.900 2.974 ( -8.364 0.202 12.468) 15.015 3.685 ( 3.517 -4.855 -4.411) 7.443 4.230 ( 2.205 0.300 4.140) 4.700 4.300 ( 4.084 3.669 -8.365) 10.005 4.532 ( -7.357 -8.709 -3.636) 11.966 5.138 ( -2.137 6.348 -18.783) 19.941 5.359 ( 9.493 -8.751 6.484) 14.448 5.432 ( 6.874 -11.523 -8.099) 15.672 5.857 ( -3.051 2.000 9.594) 10.264 6.233 ( -2.547 -1.024 -1.112) 2.962 6.894 ( 3.676 -10.513 6.269) 12.780 7.674 ( 0.683 7.209 -7.892) 10.710 7.878 ( 3.790 -4.983 8.798) 10.798 8.475 ( -4.682 0.670 1.598) 4.992 8.891 ( -2.989 2.289 2.212) 4.367 9.477 ( -0.876 -0.184 3.230) 3.352 10.116 ( -0.630 2.446 2.236) 3.373 11.044 ( 15.517 -12.841 2.340) 20.277 11.463 ( -1.142 -5.229 -6.290) 8.259 12.525 ( 1.769 7.374 -16.882) 18.507 13.656 ( -4.622 12.789 11.547) 17.840 14.019 ( -8.998 6.395 -3.389) 11.548 14.691 ( -0.640 9.795 -1.258) 9.896 15.463 ( -6.307 -2.334 -2.848) 7.303 16.917 ( 14.893 -23.445 -3.684) 28.018 17.406 ( 2.729 -2.839 -2.683) 4.765 ======================= Grid point 715 (138/174) ======================= q-point: (-0.42 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 1.280 1.343 -9.205) 9.390 3.242 ( -4.935 -2.061 5.975) 8.019 3.618 ( 0.159 -0.084 0.584) 0.611 3.956 ( 6.337 2.634 0.017) 6.862 4.480 ( -8.362 1.835 4.858) 9.844 4.654 ( 3.139 -10.188 3.348) 11.174 5.038 ( 3.369 0.559 -10.021) 10.587 5.207 ( -0.975 -4.257 -0.820) 4.443 5.359 ( -1.274 -2.343 -17.760) 17.960 5.838 ( 3.298 5.747 2.445) 7.063 6.530 ( -12.808 -6.622 6.467) 15.803 6.784 ( 2.840 -11.719 -2.966) 12.418 7.517 ( 8.184 14.705 -1.710) 16.916 7.825 ( -2.793 -9.371 9.796) 13.841 8.639 ( -2.582 -0.398 0.661) 2.695 9.017 ( -3.637 -3.028 0.199) 4.736 9.578 ( -3.167 3.371 5.910) 7.505 10.101 ( -0.503 -4.766 3.262) 5.797 10.499 ( 12.553 2.115 -0.652) 12.746 11.491 ( -0.498 -3.027 -12.201) 12.581 12.411 ( 5.104 12.287 -2.364) 13.514 13.700 ( 1.377 7.769 5.736) 9.755 14.334 ( -5.421 7.159 -13.046) 15.838 14.526 ( 6.270 1.674 15.995) 17.261 15.975 ( -21.345 1.367 -10.726) 23.928 16.396 ( 15.199 -20.664 -6.244) 26.401 17.318 ( 1.826 0.228 -1.906) 2.650 ======================= Grid point 716 (139/174) ======================= q-point: (-0.33 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 5.092 3.875 -2.789) 6.980 3.102 ( -7.940 -3.445 7.631) 11.539 3.633 ( 0.408 1.176 -0.304) 1.281 4.111 ( 8.955 2.014 -1.150) 9.251 4.358 ( -5.576 -0.532 4.534) 7.207 4.526 ( -3.875 -11.359 -1.536) 12.099 5.131 ( 6.162 -0.259 -11.793) 13.309 5.186 ( 3.474 -5.445 2.658) 6.984 5.303 ( -1.682 -3.947 -16.724) 17.265 5.930 ( -0.143 6.133 5.754) 8.411 6.318 ( -7.681 -0.053 2.411) 8.050 6.732 ( 3.578 -10.300 3.979) 11.607 7.678 ( -0.261 -5.275 3.158) 6.153 7.815 ( 6.374 10.034 2.011) 12.057 8.554 ( -5.291 -2.153 0.695) 5.754 8.935 ( -2.303 -2.261 2.429) 4.039 9.534 ( -4.465 2.476 4.909) 7.083 10.078 ( 3.376 -5.872 4.171) 7.955 10.732 ( 12.278 0.468 -1.315) 12.357 11.422 ( -1.491 -6.722 -7.413) 10.117 12.568 ( 2.034 7.131 -17.940) 19.412 13.826 ( 1.303 14.352 12.198) 18.881 14.263 ( -11.897 7.657 4.080) 14.725 14.729 ( 9.637 10.489 -3.783) 14.738 15.608 ( -17.758 -6.462 -3.543) 19.227 16.423 ( 14.767 -24.914 -10.561) 30.827 17.360 ( 1.963 0.777 -0.896) 2.294 ======================= Grid point 717 (140/174) ======================= q-point: (-0.25 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -0.430 0.745 0.307) 0.913 2.974 ( -0.372 0.644 8.278) 8.311 3.643 ( -0.587 1.017 -0.816) 1.430 4.234 ( 0.471 -0.816 2.957) 3.103 4.336 ( 0.448 -0.776 -5.567) 5.639 4.367 ( 3.365 -5.828 2.471) 7.169 5.190 ( 4.740 -8.210 5.489) 10.955 5.225 ( -1.082 1.873 -17.874) 18.004 5.229 ( 4.407 -7.633 -13.090) 15.780 5.950 ( -3.860 6.686 9.098) 11.932 6.264 ( -2.088 3.617 -2.343) 4.789 6.710 ( 4.871 -8.437 8.530) 12.949 7.638 ( 4.206 -7.284 3.074) 8.955 7.948 ( -4.860 8.418 -0.375) 9.728 8.479 ( 0.031 -0.053 1.424) 1.426 8.905 ( 0.467 -0.808 3.133) 3.269 9.505 ( -1.934 3.350 4.524) 5.953 10.081 ( 3.898 -6.751 4.661) 9.083 10.856 ( 2.692 -4.662 -2.486) 5.930 11.359 ( 3.220 -5.577 -4.513) 7.864 12.618 ( -1.540 2.668 -24.933) 25.123 13.960 ( -9.560 16.558 18.970) 26.934 14.149 ( -4.167 7.218 4.531) 9.486 14.927 ( -7.494 12.981 -13.055) 19.877 15.364 ( 3.560 -6.167 2.780) 7.644 16.424 ( 15.082 -26.124 -11.503) 32.284 17.383 ( 0.176 -0.304 -0.436) 0.560 ======================= Grid point 727 (141/174) ======================= q-point: (-0.42 0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 2.398 4.154 -7.445) 8.857 3.154 ( -3.945 -6.834 5.504) 9.621 3.651 ( 1.603 2.777 1.208) 3.427 4.033 ( 3.119 5.403 0.417) 6.252 4.434 ( -3.870 -6.704 5.938) 9.756 4.470 ( -4.236 -7.336 2.293) 8.776 5.071 ( 1.601 2.773 -14.595) 14.942 5.120 ( -2.307 -3.996 1.065) 4.736 5.311 ( -1.782 -3.086 -16.424) 16.806 5.963 ( 3.839 6.649 3.330) 8.368 6.424 ( -2.719 -4.709 9.038) 10.548 6.616 ( -3.013 -5.218 -1.770) 6.280 7.644 ( -4.898 -8.484 7.194) 12.154 7.817 ( 8.836 15.304 -0.253) 17.674 8.593 ( -2.544 -4.406 0.302) 5.097 8.939 ( -2.450 -4.244 2.416) 5.464 9.615 ( 0.209 0.362 6.790) 6.803 9.978 ( -3.523 -6.102 2.616) 7.516 10.641 ( 6.141 10.637 -1.519) 12.376 11.399 ( -3.671 -6.358 -8.059) 10.901 12.586 ( 3.271 5.665 -17.734) 18.902 13.883 ( 6.797 11.773 11.115) 17.560 14.493 ( -0.692 -1.199 22.572) 22.615 14.609 ( 9.037 15.652 -18.068) 25.556 15.886 ( -10.041 -17.391 13.494) 24.194 16.019 ( -5.551 -9.614 -31.395) 33.300 17.348 ( 1.236 2.140 -0.702) 2.569 ======================= Grid point 729 (142/174) ======================= q-point: (-0.33 0.58 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 4.662 4.546 -3.232) 7.269 2.999 ( -5.136 -6.579 4.248) 9.365 3.699 ( -0.843 4.581 0.780) 4.723 4.162 ( 6.655 3.284 0.793) 7.464 4.308 ( -3.135 -5.134 6.480) 8.842 4.338 ( -3.026 -6.598 0.128) 7.260 5.065 ( 1.269 -5.263 3.253) 6.316 5.133 ( 3.032 0.885 -15.774) 16.087 5.242 ( -1.941 -3.358 -16.388) 16.841 6.063 ( -0.397 6.412 2.550) 6.912 6.359 ( -3.986 3.703 5.231) 7.547 6.565 ( 3.043 -7.011 6.876) 10.281 7.518 ( 0.049 -7.527 3.692) 8.384 8.079 ( 3.469 13.829 -0.179) 14.259 8.479 ( -3.490 -5.857 0.445) 6.833 8.877 ( -0.271 -3.049 4.059) 5.084 9.602 ( -3.784 4.643 5.243) 7.960 9.903 ( 4.064 -10.395 3.791) 11.787 10.844 ( 3.958 9.514 -2.442) 10.590 11.262 ( -1.616 -9.725 -4.363) 10.781 12.646 ( 0.344 1.788 -26.957) 27.018 14.143 ( 6.464 16.640 14.856) 23.225 14.379 ( -12.954 3.476 17.048) 21.692 14.992 ( 16.550 15.275 -9.690) 24.518 15.441 ( -22.733 -8.567 -0.188) 24.295 15.939 ( 11.740 -24.311 -20.611) 33.966 17.382 ( 0.552 1.034 -0.215) 1.191 ======================= Grid point 742 (143/174) ======================= q-point: (-0.33 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -3.154 -5.463 0.145) 6.310 2.869 ( 3.154 5.463 0.145) 6.310 3.756 ( 0.000 0.000 0.124) 0.124 4.231 ( -0.923 -1.599 6.780) 7.027 4.231 ( 0.923 1.599 6.780) 7.027 4.252 ( -0.000 -0.000 -3.958) 3.958 5.010 ( 0.000 0.000 4.000) 4.000 5.175 ( -1.583 -2.742 -16.607) 16.906 5.175 ( 1.583 2.742 -16.607) 16.906 6.132 ( 0.000 0.000 -1.784) 1.784 6.448 ( -2.642 -4.576 9.006) 10.442 6.448 ( 2.642 4.576 9.006) 10.442 7.437 ( 0.000 0.000 1.840) 1.840 8.320 ( -5.272 -9.131 0.085) 10.544 8.320 ( 5.272 9.131 0.085) 10.544 8.843 ( 0.000 0.000 4.951) 4.951 9.721 ( -3.902 -6.758 4.229) 8.876 9.721 ( 3.902 6.758 4.229) 8.876 11.054 ( -5.653 -9.792 -2.825) 11.654 11.054 ( 5.653 9.792 -2.825) 11.654 12.661 ( 0.000 0.000 -29.323) 29.323 14.376 ( -2.624 -4.545 16.213) 17.042 14.376 ( 2.624 4.545 16.213) 17.042 15.149 ( 0.000 0.000 23.643) 23.643 15.510 ( -8.935 -15.477 -27.120) 32.479 15.510 ( 8.935 15.477 -27.120) 32.479 17.392 ( 0.000 0.000 -0.114) 0.114 ======================= Grid point 785 (144/174) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -0.000 -0.000 11.679) 11.679 2.944 ( 0.000 0.000 11.679) 11.679 3.895 ( 0.000 0.000 -6.211) 6.211 3.895 ( 0.000 0.000 -6.211) 6.211 4.276 ( 0.000 0.000 -6.387) 6.387 4.276 ( 0.000 0.000 -6.387) 6.387 4.560 ( 0.000 -0.000 15.883) 15.883 6.365 ( 0.000 -0.000 -1.249) 1.249 6.402 ( 0.000 -0.000 -0.345) 0.345 6.402 ( 0.000 0.000 -0.345) 0.345 6.663 ( 0.000 0.000 5.016) 5.016 7.371 ( 0.000 -0.000 -4.039) 4.039 7.452 ( 0.000 -0.000 -6.860) 6.860 8.042 ( 0.000 -0.000 1.428) 1.428 8.042 ( 0.000 0.000 1.428) 1.428 8.511 ( 0.000 -0.000 0.205) 0.205 9.612 ( 0.000 -0.000 0.442) 0.442 9.612 ( 0.000 0.000 0.442) 0.442 11.282 ( 0.000 -0.000 -1.059) 1.059 11.282 ( 0.000 -0.000 -1.059) 1.059 13.299 ( 0.000 -0.000 -0.878) 0.878 13.299 ( 0.000 0.000 -0.878) 0.878 13.693 ( 0.000 -0.000 0.117) 0.117 14.705 ( 0.000 -0.000 1.062) 1.062 14.705 ( 0.000 0.000 1.062) 1.062 17.747 ( 0.000 0.000 4.427) 4.427 18.347 ( 0.000 -0.000 -4.574) 4.574 ======================= Grid point 786 (145/174) ======================= q-point: ( 0.08 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 1.542 0.638 12.592) 12.703 2.979 ( 2.575 1.302 10.992) 11.364 3.877 ( 0.547 -2.440 -4.191) 4.881 3.944 ( 1.782 3.644 -7.186) 8.252 4.258 ( 0.163 -0.169 -3.338) 3.346 4.331 ( 2.818 2.536 -8.855) 9.633 4.529 ( -2.244 -1.498 11.704) 12.011 6.167 ( -8.345 -8.400 2.602) 12.123 6.329 ( -6.986 -2.738 -0.170) 7.505 6.539 ( -6.199 -2.002 1.979) 6.808 6.578 ( 2.043 3.167 0.620) 3.819 7.297 ( -10.077 -7.067 -7.983) 14.670 7.369 ( -0.444 0.291 -2.826) 2.876 8.101 ( 4.820 2.774 1.235) 5.697 8.144 ( 5.995 4.005 1.475) 7.359 8.538 ( 2.525 1.265 0.157) 2.829 9.595 ( -0.847 -1.728 0.593) 2.014 9.666 ( 4.182 3.344 -0.010) 5.355 11.281 ( 1.589 -1.855 -0.022) 2.443 11.346 ( 3.884 4.975 -2.136) 6.663 13.295 ( 1.064 -0.394 4.013) 4.171 13.310 ( -1.300 -6.204 0.156) 6.341 13.543 ( -11.411 -0.790 -5.385) 12.643 14.696 ( -1.103 3.286 4.466) 5.653 14.794 ( 7.593 0.415 -2.617) 8.042 17.707 ( -3.240 -2.405 4.644) 6.153 18.272 ( -7.010 -3.290 -4.795) 9.108 ======================= Grid point 787 (146/174) ======================= q-point: ( 0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -0.091 -2.002 14.398) 14.537 3.050 ( 3.659 2.605 9.333) 10.357 3.860 ( 0.266 -2.772 -1.852) 3.345 3.992 ( -0.775 2.158 -7.493) 7.835 4.274 ( 1.264 0.275 -0.172) 1.305 4.423 ( 4.726 3.926 -9.807) 11.573 4.502 ( 0.898 1.424 1.582) 2.310 5.952 ( -7.233 -8.226 6.587) 12.782 6.121 ( -10.559 -9.442 1.655) 14.261 6.267 ( -16.126 -5.264 -1.101) 16.999 6.694 ( -0.412 9.657 4.380) 10.612 7.079 ( -4.794 -9.285 -12.342) 16.171 7.362 ( -1.296 1.113 -0.945) 1.952 8.229 ( 4.709 2.827 2.235) 5.929 8.249 ( 3.582 3.295 0.631) 4.907 8.618 ( 4.856 2.342 0.136) 5.393 9.553 ( -1.630 -2.323 0.624) 2.906 9.800 ( 6.477 4.480 -0.708) 7.907 11.294 ( 1.923 -1.918 0.049) 2.716 11.498 ( 6.614 6.649 -2.026) 9.595 12.915 ( -22.472 -21.589 5.744) 31.688 13.350 ( 4.678 0.268 5.655) 7.344 13.538 ( 1.021 9.440 -12.314) 15.550 14.723 ( -0.134 4.413 7.075) 8.340 14.948 ( 9.546 0.660 -5.611) 11.093 17.601 ( -4.819 -5.018 5.511) 8.876 18.051 ( -14.110 -5.185 -5.711) 16.080 ======================= Grid point 788 (147/174) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -4.985 -5.497 13.370) 15.292 3.148 ( 4.448 3.107 7.200) 9.016 3.811 ( -4.268 -1.709 0.161) 4.600 3.957 ( -1.561 -2.422 -10.657) 11.040 4.312 ( 3.191 0.579 6.411) 7.185 4.554 ( 4.744 4.083 -15.427) 16.648 4.614 ( 7.086 7.615 -1.614) 10.526 5.769 ( -7.470 -6.209 9.657) 13.698 5.797 ( -13.003 -14.263 4.207) 19.753 5.958 ( -13.571 -3.861 -6.966) 15.736 6.732 ( -8.046 13.028 9.878) 18.223 6.985 ( 4.704 -10.140 -15.385) 19.017 7.340 ( -2.672 0.819 -0.004) 2.794 8.240 ( -2.586 0.628 2.977) 3.993 8.391 ( 6.640 3.604 0.193) 7.557 8.745 ( 6.731 3.594 0.179) 7.632 9.503 ( -1.340 -2.435 0.599) 2.844 9.950 ( 5.889 4.516 -1.023) 7.491 11.299 ( 0.661 -2.189 0.791) 2.419 11.626 ( -1.677 1.921 -2.450) 3.536 12.319 ( -17.929 -19.450 4.344) 26.807 13.453 ( 7.275 -0.209 8.134) 10.915 13.673 ( 2.930 10.576 -14.135) 17.896 14.780 ( 1.895 4.427 11.397) 12.373 15.115 ( 9.111 0.982 -9.979) 13.548 17.452 ( -5.213 -9.076 8.145) 13.263 17.714 ( -19.534 -3.919 -8.511) 21.665 ======================= Grid point 789 (148/174) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -8.463 -6.536 6.682) 12.610 3.249 ( 4.023 2.620 4.497) 6.578 3.703 ( -5.815 -0.485 -1.508) 6.027 3.923 ( 0.570 -3.356 -5.719) 6.656 4.391 ( 5.540 0.512 8.810) 10.420 4.667 ( 3.013 6.299 -13.676) 15.355 4.829 ( 8.192 7.704 -4.999) 12.306 5.409 ( -13.920 -15.039 5.472) 21.211 5.562 ( -13.398 -2.570 0.516) 13.652 5.797 ( -0.999 -4.280 -0.722) 4.454 6.711 ( -6.799 10.056 4.725) 13.026 7.000 ( 4.050 -4.092 -7.788) 9.685 7.284 ( -3.209 -2.056 -0.289) 3.822 8.184 ( -4.133 0.554 3.444) 5.409 8.525 ( 5.571 2.580 0.184) 6.142 8.904 ( 6.839 4.373 0.072) 8.118 9.476 ( 1.124 -1.441 0.683) 1.951 10.079 ( 4.323 4.092 -0.519) 5.976 11.175 ( -18.676 -12.059 7.903) 23.593 11.369 ( -8.656 -5.753 -10.407) 14.708 12.168 ( 7.083 -2.929 3.843) 8.574 13.580 ( 8.279 -1.417 9.354) 12.571 13.826 ( 2.451 10.846 -15.707) 19.244 14.870 ( 4.139 2.989 18.998) 19.672 15.277 ( 8.512 2.751 -17.417) 19.580 17.174 ( -15.541 -14.620 6.272) 22.240 17.424 ( -10.963 1.201 -6.739) 12.925 ======================= Grid point 790 (149/174) ======================= q-point: ( 0.42 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -7.449 -4.161 -1.467) 8.658 3.324 ( 2.337 1.371 2.108) 3.433 3.637 ( -2.181 0.825 -0.910) 2.503 3.902 ( 0.302 -2.568 -0.767) 2.697 4.514 ( 8.772 0.581 8.643) 12.328 4.775 ( 1.369 7.495 -10.107) 12.657 4.969 ( -2.929 0.051 1.107) 3.131 5.093 ( -4.105 -7.469 -4.878) 9.820 5.327 ( -10.689 -1.310 -2.501) 11.056 5.785 ( 2.402 -2.978 2.724) 4.696 6.710 ( -2.899 6.394 -1.546) 7.189 7.015 ( -3.284 5.335 1.196) 6.377 7.207 ( 0.911 -8.290 -2.330) 8.659 8.128 ( -3.429 1.609 3.820) 5.379 8.624 ( 3.718 1.263 0.342) 3.941 9.027 ( 3.005 2.701 -0.388) 4.059 9.542 ( 6.787 1.719 1.390) 7.138 10.171 ( 2.311 2.990 0.438) 3.804 10.625 ( -22.261 -14.286 1.695) 26.505 11.294 ( -1.194 -1.776 -6.632) 6.969 12.280 ( 7.026 -2.259 4.394) 8.590 13.687 ( 6.559 -3.069 9.459) 11.912 13.951 ( 0.455 9.109 -16.515) 18.866 14.951 ( 3.514 -0.624 25.836) 26.082 15.471 ( 9.183 6.131 -25.072) 27.396 16.748 ( -17.562 -10.503 2.724) 20.644 17.314 ( -4.155 0.406 -2.120) 4.682 ======================= Grid point 791 (150/174) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.432 0.749 -4.842) 4.919 3.351 ( 0.042 -0.072 1.259) 1.261 3.627 ( -0.635 1.100 -0.950) 1.586 3.890 ( 0.895 -1.551 1.375) 2.258 4.669 ( 2.676 -4.634 8.787) 10.288 4.753 ( 0.633 -1.096 7.403) 7.511 4.876 ( -3.119 5.402 -10.905) 12.563 5.080 ( -0.137 0.238 -11.519) 11.523 5.231 ( -1.624 2.812 -2.216) 3.931 5.794 ( 1.802 -3.121 3.477) 5.008 6.721 ( -1.954 3.384 -5.010) 6.353 7.006 ( -7.484 12.962 6.573) 16.347 7.174 ( 6.874 -11.905 -4.219) 14.380 8.107 ( -1.661 2.877 3.956) 5.166 8.663 ( 0.410 -0.709 0.476) 0.948 9.061 ( -0.392 0.680 -0.697) 1.049 9.654 ( 0.763 -1.322 2.555) 2.976 10.206 ( 0.002 -0.003 1.072) 1.072 10.320 ( -0.003 0.006 -0.710) 0.710 11.274 ( 0.408 -0.707 -6.344) 6.397 12.331 ( 2.722 -4.715 4.694) 7.189 13.728 ( 2.899 -5.021 9.182) 10.859 14.002 ( -3.476 6.020 -16.610) 18.006 14.975 ( 1.641 -2.843 27.303) 27.500 15.615 ( -0.859 1.489 -28.992) 29.043 16.510 ( -0.373 0.646 4.552) 4.613 17.282 ( -0.795 1.377 -1.313) 2.063 ======================= Grid point 799 (151/174) ======================= q-point: ( 0.08 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -0.267 -0.463 15.316) 15.325 3.028 ( 2.052 3.554 9.473) 10.323 3.839 ( -0.825 -1.428 -1.973) 2.572 4.010 ( 1.244 2.155 -6.032) 6.525 4.264 ( 0.313 0.542 -3.267) 3.326 4.407 ( 2.846 4.930 -11.824) 13.123 4.501 ( 0.226 0.392 6.108) 6.125 5.974 ( -5.800 -10.046 8.501) 14.381 6.160 ( -7.869 -13.629 2.252) 15.898 6.392 ( -6.521 -11.295 -0.941) 13.077 6.722 ( 4.880 8.452 -4.763) 10.860 7.102 ( -6.234 -10.797 -6.355) 13.993 7.374 ( 0.098 0.169 -2.969) 2.976 8.191 ( 3.490 6.045 1.199) 7.082 8.239 ( 2.362 4.090 0.479) 4.747 8.589 ( 2.287 3.961 0.537) 4.606 9.552 ( -1.512 -2.620 1.868) 3.555 9.769 ( 4.059 7.031 -1.216) 8.209 11.262 ( -0.165 -0.286 1.947) 1.975 11.476 ( 4.680 8.105 -3.812) 10.106 12.984 ( -14.719 -25.493 11.132) 31.472 13.313 ( 1.136 1.967 3.985) 4.587 13.595 ( 3.394 5.879 -14.223) 15.760 14.798 ( 2.635 4.564 7.957) 9.544 14.814 ( 2.083 3.608 -6.315) 7.566 17.617 ( -3.904 -6.763 6.177) 9.956 18.146 ( -5.482 -9.494 -6.912) 12.960 ======================= Grid point 800 (152/174) ======================= q-point: ( 0.17 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -3.040 -3.562 16.875) 17.513 3.108 ( 3.365 3.142 7.505) 8.805 3.820 ( -0.041 -1.253 0.696) 1.434 3.987 ( -3.553 -3.049 -9.232) 10.352 4.277 ( 1.333 0.357 3.532) 3.792 4.518 ( 4.269 5.504 -14.505) 16.091 4.592 ( 5.233 8.058 -3.701) 10.296 5.802 ( -4.694 -6.741 11.788) 14.368 5.838 ( -11.323 -17.928 5.266) 21.848 6.128 ( -11.894 -9.747 -4.724) 16.087 6.838 ( 2.334 -4.026 -18.275) 18.859 6.957 ( -4.279 6.529 7.286) 10.678 7.368 ( -0.651 -0.744 -3.778) 3.905 8.271 ( -0.846 0.592 0.068) 1.035 8.321 ( 5.361 3.891 0.819) 6.674 8.694 ( 4.718 5.622 0.758) 7.378 9.497 ( -1.526 -3.304 2.595) 4.469 9.924 ( 5.075 8.125 -2.284) 9.848 11.263 ( 0.921 -1.233 2.768) 3.167 11.632 ( 3.920 6.026 -4.393) 8.425 12.401 ( -19.682 -29.740 13.129) 38.003 13.376 ( 3.629 2.638 6.588) 7.970 13.745 ( 3.571 12.038 -15.898) 20.259 14.829 ( -1.974 6.027 5.698) 8.526 14.959 ( 9.405 0.203 -4.009) 10.225 17.449 ( -6.002 -10.697 8.291) 14.805 17.915 ( -11.071 -8.476 -9.945) 17.127 ======================= Grid point 801 (153/174) ======================= q-point: ( 0.25 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -6.735 -4.119 12.529) 14.809 3.196 ( 4.187 1.640 5.102) 6.801 3.789 ( -3.909 -0.408 -0.456) 3.956 3.891 ( -1.307 -3.731 -7.733) 8.685 4.316 ( 3.058 -0.392 8.158) 8.721 4.650 ( 4.908 5.551 -16.234) 17.845 4.794 ( 6.928 10.395 -8.027) 14.848 5.456 ( -12.083 -19.071 7.363) 23.747 5.689 ( -4.220 -3.149 11.239) 12.411 5.838 ( -10.459 -8.186 -5.842) 14.510 6.768 ( 0.793 -8.306 -14.993) 17.158 7.034 ( -3.420 14.118 4.317) 15.155 7.337 ( -1.946 -0.669 -2.903) 3.558 8.227 ( -2.675 -2.380 -0.696) 3.648 8.443 ( 5.834 1.406 1.242) 6.128 8.849 ( 5.974 6.917 0.133) 9.141 9.447 ( -0.279 -2.827 3.285) 4.343 10.081 ( 3.501 8.621 -2.981) 9.771 11.250 ( -1.916 -3.257 4.785) 6.097 11.505 ( -17.780 -17.345 -4.265) 25.203 12.015 ( 3.389 -7.708 11.462) 14.222 13.481 ( 5.100 3.260 8.764) 10.651 13.935 ( 2.171 16.217 -16.685) 23.368 14.856 ( 0.071 2.903 14.062) 14.359 15.124 ( 10.478 -0.144 -11.723) 15.724 17.197 ( -8.703 -16.496 7.737) 20.192 17.645 ( -12.792 -3.452 -10.460) 16.881 ======================= Grid point 802 (154/174) ======================= q-point: ( 0.33 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -8.687 -1.713 2.903) 9.318 3.272 ( 3.972 -0.456 2.785) 4.872 3.707 ( -4.498 1.027 -4.136) 6.197 3.874 ( 0.821 -1.293 0.747) 1.704 4.377 ( 6.044 -1.961 9.216) 11.195 4.784 ( 4.370 5.281 -15.679) 17.112 4.990 ( 3.890 7.273 -7.480) 11.135 5.088 ( -9.093 -16.247 5.708) 19.474 5.502 ( -11.700 -3.946 -2.831) 12.668 5.728 ( 1.347 -2.311 6.742) 7.254 6.736 ( 2.689 -4.014 -12.357) 13.268 7.053 ( -5.293 3.517 -2.756) 6.927 7.314 ( -4.522 8.336 3.432) 10.085 8.154 ( -1.789 -3.975 -1.254) 4.536 8.543 ( 5.700 -0.800 1.615) 5.978 8.997 ( 4.039 4.216 -1.147) 5.950 9.461 ( 4.160 0.914 4.094) 5.908 10.197 ( 0.545 7.107 -2.665) 7.610 10.855 ( -22.599 -18.280 5.292) 29.544 11.278 ( -0.323 -4.218 -4.161) 5.934 12.101 ( 8.862 -4.133 9.734) 13.797 13.599 ( 4.524 3.568 10.127) 11.651 14.109 ( -1.835 17.973 -17.322) 25.029 14.880 ( 2.193 -2.464 23.684) 23.912 15.324 ( 12.630 2.084 -20.522) 24.187 16.839 ( -12.160 -19.425 2.946) 23.106 17.450 ( -9.017 1.264 -6.342) 11.096 ======================= Grid point 803 (155/174) ======================= q-point: ( 0.42 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -6.010 2.649 -4.622) 8.031 3.316 ( 2.662 -2.300 1.492) 3.822 3.672 ( -2.246 2.715 -3.202) 4.761 3.875 ( 0.035 -0.112 3.550) 3.552 4.497 ( 10.626 -2.057 9.189) 14.198 4.738 ( -6.298 -13.764 6.666) 16.539 4.937 ( 2.061 5.097 -11.914) 13.121 5.095 ( -0.530 1.726 -12.127) 12.261 5.322 ( -5.868 0.681 -4.986) 7.730 5.746 ( 1.594 -0.912 8.330) 8.530 6.776 ( 2.091 2.560 -10.528) 11.035 6.955 ( -1.432 -8.095 -7.265) 10.971 7.332 ( -8.272 16.001 7.616) 19.557 8.104 ( 0.825 -4.266 -1.674) 4.656 8.610 ( 3.867 -2.724 1.916) 5.103 9.053 ( 1.136 -0.412 -1.520) 1.942 9.603 ( 6.795 4.661 4.488) 9.383 10.176 ( -4.756 -6.174 -0.769) 7.831 10.462 ( -10.078 1.645 1.423) 10.310 11.245 ( 0.719 -3.311 -4.253) 5.437 12.182 ( 6.807 -7.274 10.563) 14.520 13.683 ( 1.271 2.738 10.651) 11.071 14.207 ( -6.658 16.716 -17.453) 25.068 14.882 ( 3.518 -6.477 27.809) 28.769 15.560 ( 9.701 2.696 -26.065) 27.943 16.484 ( -5.999 -15.682 1.730) 16.879 17.360 ( -4.688 3.726 -3.548) 6.961 ======================= Grid point 812 (156/174) ======================= q-point: ( 0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -2.666 -4.618 15.423) 16.318 3.164 ( 1.437 2.490 4.938) 5.714 3.813 ( 0.285 0.493 3.575) 3.620 3.892 ( -3.277 -5.677 -12.110) 13.770 4.288 ( 0.266 0.461 7.915) 7.933 4.633 ( 3.667 6.351 -16.955) 18.473 4.786 ( 6.385 11.059 -9.283) 15.787 5.462 ( -11.614 -20.116 7.326) 24.356 5.702 ( -1.965 -3.404 13.990) 14.532 5.898 ( -7.696 -13.329 -5.361) 16.298 6.708 ( -3.199 -5.541 -18.595) 19.665 7.172 ( 6.625 11.476 7.402) 15.178 7.328 ( -1.830 -3.170 -7.244) 8.116 8.240 ( -2.045 -3.542 -2.916) 5.023 8.391 ( 1.783 3.089 2.439) 4.321 8.834 ( 4.792 8.300 0.259) 9.588 9.435 ( -1.512 -2.619 4.359) 5.305 10.099 ( 5.369 9.299 -4.064) 11.480 11.243 ( -0.564 -0.977 3.935) 4.093 11.573 ( -12.207 -21.142 -2.418) 24.533 11.944 ( -4.271 -7.398 14.144) 16.524 13.456 ( 3.177 5.503 9.089) 11.090 14.005 ( 8.438 14.615 -15.880) 23.173 14.921 ( 0.186 0.322 13.951) 13.956 14.975 ( 2.652 4.593 -12.503) 13.581 17.188 ( -9.274 -16.062 7.500) 20.006 17.739 ( -5.284 -9.152 -11.106) 15.331 ======================= Grid point 813 (157/174) ======================= q-point: ( 0.25 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -5.091 -1.132 7.866) 9.438 3.203 ( 2.417 -1.100 2.469) 3.626 3.785 ( -3.909 -0.714 -7.982) 8.916 3.847 ( 1.779 0.271 3.095) 3.580 4.291 ( 1.453 -2.086 9.204) 9.549 4.758 ( 4.035 5.034 -18.350) 19.451 4.991 ( 5.358 9.244 -11.565) 15.745 5.082 ( -10.326 -18.338 8.858) 22.834 5.623 ( -9.058 -7.226 -1.196) 11.649 5.688 ( 0.557 -3.133 9.407) 9.931 6.648 ( 1.378 -3.423 -16.530) 16.937 7.210 ( -7.823 -0.016 -7.603) 10.909 7.406 ( 5.214 11.137 5.475) 13.461 8.146 ( -3.360 -5.602 -4.329) 7.837 8.444 ( 3.645 -1.091 3.237) 4.996 8.980 ( 3.460 5.192 -1.554) 6.431 9.421 ( 1.814 1.096 5.660) 6.044 10.259 ( 2.281 8.633 -5.450) 10.461 11.008 ( -19.284 -23.872 6.092) 31.287 11.229 ( 0.451 -4.232 2.358) 4.865 11.957 ( 4.112 -1.195 8.886) 9.864 13.583 ( 4.245 7.274 11.749) 14.456 14.290 ( 4.506 19.737 -13.893) 24.553 14.868 ( -3.857 -2.254 16.174) 16.780 15.120 ( 10.907 0.434 -15.502) 18.960 16.834 ( -11.301 -20.545 2.651) 23.597 17.577 ( -6.275 -3.385 -8.341) 10.974 ======================= Grid point 814 (158/174) ======================= q-point: ( 0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -6.828 3.682 -1.370) 7.878 3.225 ( 3.533 -4.500 1.223) 5.851 3.740 ( -2.366 2.294 -6.029) 6.871 3.882 ( 0.455 2.170 5.503) 5.932 4.321 ( 6.237 -3.456 9.298) 11.717 4.703 ( -6.964 -15.623 4.103) 17.590 4.931 ( 3.388 4.412 -12.004) 13.230 5.120 ( 1.149 3.995 -13.252) 13.888 5.409 ( -6.735 -5.357 -5.562) 10.247 5.716 ( 2.064 0.944 12.377) 12.583 6.691 ( 5.503 0.383 -13.626) 14.700 7.043 ( -9.972 -2.518 -9.928) 14.295 7.578 ( -0.869 15.717 6.816) 17.153 8.036 ( -1.557 -7.537 -5.377) 9.388 8.493 ( 5.115 -4.375 3.701) 7.681 9.029 ( 0.632 -0.990 -1.719) 2.082 9.537 ( 6.880 6.555 4.673) 10.590 10.241 ( -9.138 -7.168 -3.671) 12.180 10.623 ( -7.473 -0.377 4.023) 8.495 11.192 ( 0.407 -4.721 0.489) 4.764 12.007 ( 5.374 -5.326 10.466) 12.914 13.721 ( 1.902 8.961 13.794) 16.559 14.502 ( -3.731 21.416 -13.494) 25.586 14.769 ( -0.999 -8.209 22.031) 23.532 15.358 ( 15.723 1.396 -21.058) 26.317 16.433 ( -10.339 -22.126 -1.419) 24.464 17.472 ( -4.816 1.073 -5.296) 7.239 ======================= Grid point 815 (159/174) ======================= q-point: ( 0.42 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -4.374 7.576 -5.273) 10.214 3.233 ( 3.508 -6.077 0.913) 7.076 3.735 ( -2.013 3.486 -4.528) 6.059 3.897 ( -1.303 2.256 5.643) 6.215 4.437 ( 3.679 -6.373 9.502) 12.018 4.477 ( 5.419 -9.386 7.494) 13.176 5.024 ( -1.597 2.767 -15.419) 15.747 5.109 ( -0.564 0.977 -12.824) 12.873 5.331 ( 0.292 -0.506 -6.345) 6.372 5.743 ( -0.158 0.273 11.912) 11.916 6.806 ( 1.699 -2.942 -9.737) 10.313 6.877 ( -2.306 3.994 -12.914) 13.713 7.655 ( -9.248 16.019 7.717) 20.042 7.978 ( 4.510 -7.811 -6.424) 11.074 8.518 ( 3.836 -6.644 3.902) 8.607 9.022 ( 1.228 -2.127 -1.342) 2.799 9.684 ( -1.257 2.178 4.231) 4.922 10.035 ( 2.691 -4.660 -1.468) 5.578 10.601 ( -5.370 9.301 1.277) 10.815 11.168 ( 2.521 -4.367 -0.757) 5.099 12.028 ( 4.504 -7.801 11.369) 14.505 13.787 ( -4.384 7.593 14.567) 17.002 14.575 ( -11.857 20.537 -17.075) 29.222 14.711 ( 6.038 -10.458 27.431) 29.972 15.558 ( 2.197 -3.805 -25.052) 25.434 16.180 ( 8.278 -14.337 -0.443) 16.561 17.437 ( -2.142 3.711 -4.166) 5.976 ======================= Grid point 822 (160/174) ======================= q-point: (-0.08 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( -1.650 2.857 11.713) 12.169 3.017 ( -1.021 1.769 11.162) 11.347 3.910 ( 0.297 -0.515 -0.799) 0.996 3.943 ( -0.863 1.495 -10.516) 10.657 4.269 ( -0.599 1.037 0.664) 1.370 4.382 ( -2.519 4.363 -7.402) 8.954 4.497 ( 0.771 -1.335 2.803) 3.198 6.066 ( 3.980 -6.893 0.025) 7.960 6.172 ( 6.208 -10.753 0.864) 12.447 6.349 ( 8.144 -14.106 3.778) 16.720 6.578 ( 0.881 -1.526 6.277) 6.520 7.187 ( 2.208 -3.824 -12.543) 13.297 7.343 ( 1.135 -1.967 0.040) 2.271 8.193 ( -3.593 6.223 0.978) 7.252 8.215 ( -1.553 2.690 2.983) 4.307 8.596 ( -2.508 4.343 -0.226) 5.020 9.578 ( 1.076 -1.863 -0.603) 2.234 9.755 ( -3.907 6.767 0.188) 7.816 11.325 ( -0.676 1.171 -4.401) 4.604 11.416 ( -3.979 6.891 2.120) 8.235 13.168 ( 14.014 -24.273 -3.672) 28.267 13.351 ( -2.641 4.574 6.684) 8.518 13.407 ( -2.528 4.379 -5.495) 7.467 14.676 ( -0.259 0.449 7.526) 7.544 14.941 ( -4.718 8.171 -6.293) 11.341 17.648 ( 2.461 -4.262 3.886) 6.271 18.103 ( 7.362 -12.751 -3.514) 15.137 ======================= Grid point 826 (161/174) ======================= q-point: ( 0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.510 0.884 1.462) 1.783 3.157 ( -1.860 -3.222 0.135) 3.723 3.775 ( 0.136 0.236 -7.951) 7.956 3.892 ( 2.008 3.478 6.968) 8.042 4.247 ( -1.067 -1.849 9.107) 9.354 4.684 ( -8.517 -14.753 2.817) 17.266 4.923 ( 2.575 4.459 -11.696) 12.780 5.130 ( 2.634 4.562 -13.739) 14.714 5.440 ( -5.389 -9.335 -6.150) 12.410 5.701 ( 1.419 2.458 14.440) 14.717 6.645 ( 1.843 3.192 -14.886) 15.336 7.133 ( -3.686 -6.384 -11.484) 13.646 7.647 ( 6.610 11.448 5.388) 14.275 8.031 ( -3.228 -5.591 -5.419) 8.429 8.410 ( -1.261 -2.184 5.019) 5.617 9.018 ( -0.478 -0.828 -1.727) 1.974 9.510 ( 4.383 7.592 4.311) 9.769 10.292 ( -5.914 -10.244 -5.772) 13.162 10.687 ( -1.663 -2.880 5.220) 6.190 11.161 ( -2.078 -3.599 4.288) 5.972 11.932 ( -0.796 -1.379 8.905) 9.046 13.756 ( 5.831 10.099 15.365) 19.289 14.610 ( 3.231 5.596 14.871) 16.214 14.824 ( 2.619 4.537 -9.417) 10.776 15.165 ( 2.979 5.160 -16.748) 17.776 16.412 ( -13.043 -22.591 -2.651) 26.221 17.521 ( -1.344 -2.328 -5.979) 6.555 ======================= Grid point 827 (162/174) ======================= q-point: ( 0.33 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -3.532 7.434 -3.260) 8.852 3.101 ( 2.445 -8.038 -0.608) 8.424 3.790 ( -0.506 2.459 -5.245) 5.815 3.953 ( -0.463 4.809 6.572) 8.157 4.256 ( 6.096 -2.778 8.603) 10.903 4.413 ( -6.021 -12.981 7.829) 16.311 5.038 ( 3.647 5.820 -15.554) 17.003 5.155 ( -2.794 0.152 -14.536) 14.803 5.302 ( -1.137 -5.553 -6.718) 8.790 5.748 ( 0.859 1.716 13.688) 13.822 6.757 ( 4.888 5.951 -12.338) 14.544 6.983 ( -7.144 -3.773 -12.409) 14.808 7.808 ( 4.553 0.886 -4.557) 6.502 7.955 ( -6.057 6.774 2.787) 9.505 8.373 ( 3.218 -8.096 5.795) 10.463 8.989 ( -0.130 -2.218 -0.917) 2.404 9.679 ( 5.647 7.362 1.652) 9.424 10.013 ( -7.748 -12.025 -2.015) 14.447 10.757 ( -0.525 9.906 1.965) 10.113 11.089 ( -0.002 -6.186 2.978) 6.866 11.911 ( 1.661 -4.078 9.927) 10.860 13.940 ( 0.461 13.395 18.289) 22.675 14.517 ( 0.574 -13.820 25.821) 29.292 14.979 ( -9.055 23.848 -17.081) 30.700 15.378 ( 16.803 0.698 -20.331) 26.385 15.988 ( -8.124 -23.509 -4.759) 25.324 17.490 ( -1.322 0.734 -4.621) 4.862 ======================= Grid point 833 (163/174) ======================= q-point: (-0.17 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 4.638 0.756 11.213) 12.158 3.084 ( -4.617 1.353 9.383) 10.545 3.844 ( 4.027 -4.480 0.206) 6.027 3.977 ( -0.689 1.197 -12.842) 12.916 4.301 ( -1.565 2.002 5.826) 6.356 4.499 ( -2.188 0.612 -12.252) 12.461 4.514 ( -6.411 6.432 0.720) 9.110 5.882 ( 10.808 -7.685 1.508) 13.347 5.973 ( 3.625 -8.893 -4.438) 10.579 6.024 ( 14.418 -11.954 5.232) 19.446 6.523 ( -2.079 -10.181 11.646) 15.608 7.166 ( 3.935 7.282 -12.728) 15.183 7.304 ( -0.751 -4.043 2.048) 4.593 8.225 ( 0.658 -2.214 4.531) 5.086 8.326 ( -5.428 4.778 0.554) 7.253 8.703 ( -4.344 5.562 -0.135) 7.059 9.533 ( 1.829 -1.717 -0.971) 2.690 9.902 ( -5.004 6.828 0.051) 8.466 11.337 ( 0.788 1.462 -4.287) 4.597 11.559 ( -4.930 2.642 2.526) 6.137 12.613 ( 22.067 -20.898 -7.168) 31.226 13.472 ( -3.792 8.719 10.330) 14.040 13.529 ( -6.659 3.438 -8.727) 11.503 14.708 ( -2.965 0.575 9.924) 10.373 15.096 ( -4.725 6.879 -9.733) 12.821 17.550 ( 4.344 -3.738 2.044) 6.085 17.786 ( 12.785 -17.066 -1.045) 21.349 ======================= Grid point 839 (164/174) ======================= q-point: ( 0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -4.519 -7.826 -2.483) 9.372 2.930 ( 4.518 7.826 -2.483) 9.372 3.817 ( -0.000 -0.000 -4.537) 4.537 4.026 ( -0.000 -0.000 6.010) 6.010 4.243 ( -1.540 -2.667 8.521) 9.060 4.243 ( 1.540 2.667 8.521) 9.060 5.136 ( -1.526 -2.642 -16.293) 16.576 5.136 ( 1.526 2.642 -16.293) 16.576 5.223 ( -0.000 -0.000 -5.380) 5.380 5.766 ( 0.000 0.000 13.849) 13.849 6.886 ( -3.156 -5.467 -12.142) 13.685 6.886 ( 3.156 5.467 -12.142) 13.685 7.765 ( -0.000 -0.000 -10.994) 10.994 8.180 ( -5.824 -10.087 7.121) 13.652 8.180 ( 5.824 10.087 7.121) 13.652 8.965 ( -0.000 -0.000 -0.569) 0.569 9.822 ( -3.963 -6.864 -0.989) 7.987 9.822 ( 3.963 6.864 -0.989) 7.987 10.944 ( -4.380 -7.586 2.840) 9.208 10.944 ( 4.380 7.586 2.840) 9.208 11.868 ( -0.000 -0.000 9.719) 9.719 14.225 ( -7.728 -13.385 22.456) 27.260 14.225 ( 7.728 13.385 22.456) 27.260 15.371 ( -3.068 -5.315 -20.302) 21.209 15.371 ( 3.068 5.315 -20.302) 21.209 15.616 ( 0.000 0.000 -1.392) 1.392 17.498 ( -0.000 -0.000 -4.413) 4.413 ======================= Grid point 846 (165/174) ======================= q-point: (-0.25 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 10.020 -1.551 7.476) 12.598 3.179 ( -5.364 0.590 6.637) 8.554 3.718 ( 4.076 -5.368 0.124) 6.741 3.986 ( 1.672 2.380 -12.029) 12.375 4.367 ( -3.400 3.114 9.808) 10.838 4.550 ( -4.869 -2.326 -9.903) 11.278 4.721 ( -8.374 8.044 -3.596) 12.156 5.578 ( 11.328 -15.724 -4.723) 19.947 5.675 ( 14.728 -7.361 8.328) 18.452 5.873 ( 3.486 0.159 -4.316) 5.550 6.482 ( -5.856 -11.110 11.850) 17.267 7.123 ( 6.314 0.975 -2.136) 6.736 7.329 ( -0.886 5.681 -3.942) 6.971 8.161 ( 1.945 -5.594 5.748) 8.253 8.457 ( -5.804 2.502 -0.075) 6.321 8.843 ( -5.451 5.605 0.710) 7.851 9.495 ( 0.865 -0.644 -1.298) 1.687 10.042 ( -3.875 6.369 0.926) 7.513 11.309 ( 5.101 -1.551 0.755) 5.384 11.473 ( 11.281 -13.493 -3.113) 17.861 12.224 ( 4.876 -2.967 -8.901) 10.574 13.635 ( -3.077 11.764 10.692) 16.191 13.690 ( -7.135 5.640 -10.184) 13.654 14.791 ( -5.758 1.340 13.465) 14.706 15.225 ( -4.657 3.581 -14.256) 15.420 17.351 ( 14.634 -21.886 -4.407) 26.694 17.447 ( 6.424 -0.647 5.955) 8.783 ======================= Grid point 847 (166/174) ======================= q-point: (-0.17 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 2.443 -4.232 5.524) 7.375 3.112 ( -1.218 2.109 9.269) 9.584 3.727 ( 3.540 -6.132 0.700) 7.115 4.013 ( -1.057 1.830 -15.147) 15.293 4.354 ( -1.976 3.422 10.706) 11.412 4.489 ( 0.497 -0.860 -6.760) 6.832 4.693 ( -6.041 10.464 -4.428) 12.868 5.594 ( 10.178 -17.628 -6.037) 21.232 5.775 ( 8.027 -13.904 7.037) 17.529 5.904 ( 0.609 -1.055 -4.483) 4.645 6.366 ( 2.959 -5.125 13.594) 14.826 7.185 ( 3.539 -6.130 7.053) 9.992 7.352 ( -5.384 9.325 -10.692) 15.175 8.151 ( 2.994 -5.186 6.165) 8.595 8.413 ( -2.322 4.021 0.130) 4.645 8.825 ( -3.819 6.615 0.990) 7.702 9.498 ( 0.885 -1.533 -1.677) 2.438 10.046 ( -4.320 7.483 1.375) 8.749 11.348 ( 0.244 -0.423 -6.376) 6.395 11.489 ( 7.720 -13.372 4.947) 16.213 12.255 ( 6.470 -11.207 -16.055) 20.621 13.647 ( -4.726 8.185 -10.117) 13.845 13.689 ( -7.667 13.280 15.046) 21.483 14.741 ( -1.652 2.861 10.833) 11.326 15.202 ( -2.163 3.746 -13.107) 13.803 17.352 ( 12.197 -21.126 -8.381) 25.794 17.513 ( 3.434 -5.947 10.665) 12.685 ======================= Grid point 859 (167/174) ======================= q-point: (-0.33 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 11.653 -2.005 1.333) 11.899 3.266 ( -4.747 -0.811 3.599) 6.012 3.635 ( 1.396 -1.586 1.252) 2.456 3.968 ( 3.135 2.418 -6.863) 7.923 4.475 ( -5.566 3.565 8.507) 10.773 4.616 ( -6.940 -4.461 -6.796) 10.689 4.913 ( -5.631 4.582 -2.910) 7.821 5.235 ( 11.333 -12.669 -6.931) 18.357 5.396 ( 10.596 -6.013 5.665) 13.436 5.851 ( 1.856 3.737 -3.121) 5.210 6.512 ( -8.842 -7.923 9.085) 14.950 6.991 ( 6.077 -6.043 2.853) 9.032 7.405 ( 3.434 13.121 -5.107) 14.492 8.069 ( 0.649 -7.812 6.905) 10.446 8.567 ( -5.317 0.600 -0.609) 5.385 8.972 ( -4.372 2.546 1.331) 5.231 9.516 ( -3.004 2.671 -1.110) 4.171 10.147 ( -1.837 4.389 2.305) 5.287 10.895 ( 23.141 -15.739 1.409) 28.022 11.318 ( 2.114 -1.968 -8.252) 8.743 12.265 ( -4.868 1.876 -6.398) 8.255 13.777 ( -0.727 10.110 6.226) 11.895 13.872 ( -4.389 10.834 -7.959) 14.142 14.913 ( -5.823 1.882 20.349) 21.249 15.341 ( -7.923 0.411 -21.754) 23.156 16.869 ( 15.624 -22.271 0.496) 27.210 17.357 ( 4.526 0.602 2.050) 5.005 ======================= Grid point 860 (168/174) ======================= q-point: (-0.25 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 9.583 -2.016 1.153) 9.861 3.163 ( -4.456 -2.228 6.179) 7.937 3.644 ( 1.308 -1.626 2.517) 3.270 4.034 ( 1.183 2.434 -13.031) 13.309 4.429 ( -2.513 2.825 10.006) 10.696 4.480 ( -3.416 -4.025 -2.734) 5.945 4.885 ( -5.210 7.933 -3.557) 10.136 5.259 ( 9.488 -16.103 -8.872) 20.689 5.504 ( 9.704 -9.826 7.158) 15.555 5.903 ( 0.394 2.302 -7.043) 7.420 6.335 ( -4.216 -3.304 13.217) 14.261 7.043 ( 5.975 -6.438 8.558) 12.264 7.532 ( -3.189 11.873 -6.790) 14.045 8.034 ( 3.655 -6.908 6.959) 10.464 8.484 ( -3.780 0.325 -0.747) 3.867 8.938 ( -3.085 3.551 2.472) 5.314 9.494 ( -1.459 1.099 -1.536) 2.386 10.170 ( -2.017 5.595 3.564) 6.933 11.068 ( 17.214 -19.762 -0.279) 26.209 11.325 ( 1.295 -2.529 -6.969) 7.525 12.196 ( -2.596 -0.510 -15.196) 15.425 13.822 ( -4.679 10.398 -10.829) 15.725 13.967 ( -5.797 19.148 15.523) 25.322 14.826 ( -5.415 2.366 12.407) 13.743 15.241 ( -2.186 -2.104 -17.471) 17.733 16.881 ( 14.789 -25.976 -1.605) 29.934 17.431 ( 3.321 -0.880 5.274) 6.294 ======================= Grid point 872 (169/174) ======================= q-point: (-0.42 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 6.589 1.135 -2.561) 7.160 3.316 ( -2.924 -2.365 1.646) 4.105 3.627 ( 0.258 1.234 1.075) 1.657 3.938 ( 2.639 2.383 -2.221) 4.193 4.624 ( -8.554 2.155 6.558) 10.992 4.686 ( -6.459 -5.951 -0.601) 8.803 4.872 ( 8.322 -6.091 -2.721) 10.666 5.071 ( 0.207 -2.420 -10.444) 10.723 5.234 ( 3.459 -0.925 3.402) 4.939 5.864 ( 1.882 4.347 -1.950) 5.123 6.621 ( -9.284 -2.212 4.680) 10.630 6.818 ( 3.714 -11.072 5.930) 13.098 7.455 ( 7.705 16.106 -4.726) 18.469 8.005 ( -2.843 -8.631 7.810) 11.982 8.638 ( -3.106 -1.177 -0.768) 3.409 9.028 ( -1.949 -1.355 0.951) 2.557 9.645 ( -5.579 5.087 0.615) 7.575 10.151 ( 1.506 -5.479 1.850) 5.976 10.483 ( 12.922 0.885 -0.852) 12.980 11.277 ( 0.610 -1.484 -7.450) 7.621 12.344 ( -3.110 -0.789 -5.522) 6.387 13.850 ( 2.634 8.308 4.947) 10.021 14.012 ( 1.847 11.703 -9.306) 15.066 14.985 ( -1.794 -0.330 24.244) 24.312 15.509 ( -9.877 -1.028 -27.469) 29.209 16.461 ( 6.121 -18.128 4.481) 19.651 17.309 ( 2.737 2.251 1.203) 3.743 ======================= Grid point 873 (170/174) ======================= q-point: (-0.33 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 10.260 1.906 -0.767) 10.464 3.209 ( -5.040 -5.174 3.065) 7.846 3.648 ( -0.388 2.673 2.640) 3.777 4.020 ( 3.408 3.039 -7.216) 8.539 4.474 ( -5.981 -5.135 -3.284) 8.540 4.545 ( -5.091 -1.654 11.077) 12.303 4.942 ( 5.767 -3.931 -4.726) 8.429 5.040 ( -0.264 -3.558 -8.481) 9.201 5.289 ( 5.883 -5.446 6.152) 10.105 5.927 ( 0.628 3.749 -7.058) 8.017 6.438 ( -9.107 0.635 10.773) 14.121 6.858 ( 8.412 -6.645 8.469) 13.662 7.679 ( -0.484 11.958 -3.057) 12.353 7.908 ( 3.328 -6.406 6.783) 9.906 8.546 ( -4.798 -2.740 -1.576) 5.746 8.985 ( -1.339 -1.091 2.531) 3.064 9.585 ( -6.009 4.283 0.056) 7.379 10.160 ( 5.012 -5.757 4.273) 8.748 10.693 ( 11.240 -1.792 -2.773) 11.715 11.269 ( 1.343 -3.505 -6.935) 7.885 12.250 ( -4.459 -2.679 -14.212) 15.134 13.977 ( 0.261 12.416 -6.986) 14.249 14.222 ( 0.422 22.208 7.647) 23.492 14.927 ( -3.299 -0.849 17.645) 17.971 15.295 ( -10.693 -4.655 -23.414) 26.158 16.391 ( 11.812 -26.200 2.856) 28.881 17.382 ( 2.880 1.573 3.177) 4.567 ======================= Grid point 874 (171/174) ======================= q-point: (-0.25 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 1.679 -2.909 -1.362) 3.625 3.108 ( 1.627 -2.818 4.988) 5.956 3.659 ( -1.562 2.705 3.213) 4.481 4.076 ( -0.964 1.669 -11.038) 11.205 4.385 ( 2.103 -3.643 -2.841) 5.076 4.492 ( -0.807 1.398 13.761) 13.855 4.991 ( 5.853 -10.137 -10.770) 15.906 5.000 ( -1.930 3.344 -2.688) 4.705 5.313 ( 5.335 -9.240 6.648) 12.572 5.951 ( -1.403 2.430 -9.396) 9.806 6.361 ( -3.254 5.635 12.650) 14.225 6.907 ( 4.333 -7.504 11.159) 14.129 7.692 ( -1.031 1.787 1.097) 2.336 7.954 ( -0.801 1.387 1.753) 2.375 8.476 ( 0.545 -0.945 -1.732) 2.047 8.968 ( 0.180 -0.313 3.120) 3.141 9.552 ( -2.818 4.881 0.166) 5.639 10.178 ( 3.993 -6.916 5.423) 9.653 10.787 ( 3.357 -5.815 -4.530) 8.099 11.260 ( 2.545 -4.407 -5.379) 7.405 12.191 ( 0.043 -0.074 -17.746) 17.746 14.053 ( -7.246 12.550 -13.060) 19.508 14.356 ( -11.100 19.225 20.571) 30.265 14.895 ( -2.906 5.033 8.917) 10.644 15.151 ( 3.532 -6.118 -20.851) 22.015 16.362 ( 15.601 -27.021 2.148) 31.275 17.417 ( 0.342 -0.592 3.896) 3.955 ======================= Grid point 884 (172/174) ======================= q-point: (-0.42 0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 4.127 7.148 -1.086) 8.325 3.226 ( -3.947 -6.837 1.859) 8.111 3.672 ( 1.669 2.890 1.752) 3.769 4.000 ( 2.351 4.072 -4.040) 6.199 4.532 ( -4.927 -8.534 2.514) 10.170 4.560 ( -4.312 -7.469 2.287) 8.922 4.848 ( 1.597 2.767 -3.332) 4.616 5.028 ( -0.963 -1.668 -5.847) 6.156 5.222 ( -0.836 -1.449 4.425) 4.731 5.942 ( 1.966 3.406 -6.530) 7.623 6.612 ( -2.509 -4.345 9.913) 11.111 6.662 ( 0.485 0.841 7.537) 7.599 7.773 ( 9.084 15.734 -4.170) 18.640 7.815 ( -5.742 -9.946 9.333) 14.799 8.577 ( -2.942 -5.096 -1.928) 6.192 8.986 ( -1.424 -2.467 2.235) 3.620 9.707 ( 0.230 0.398 2.066) 2.116 10.012 ( -3.222 -5.581 1.114) 6.540 10.619 ( 5.806 10.057 -0.804) 11.640 11.236 ( -1.660 -2.876 -7.134) 7.869 12.276 ( -2.917 -5.052 -13.955) 15.125 14.037 ( 6.597 11.426 -3.669) 13.694 14.339 ( 11.374 19.701 -0.147) 22.749 14.929 ( -3.051 -5.285 18.043) 19.047 15.430 ( -4.296 -7.441 -24.547) 26.008 16.106 ( -9.671 -16.751 7.666) 20.806 17.366 ( 1.724 2.986 2.528) 4.275 ======================= Grid point 886 (173/174) ======================= q-point: (-0.33 0.58 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 5.642 6.367 0.088) 8.508 3.070 ( -3.900 -8.772 2.648) 9.959 3.718 ( -0.556 3.779 1.927) 4.279 4.090 ( 2.556 4.144 -6.640) 8.234 4.364 ( -4.932 -4.766 -0.548) 6.880 4.458 ( 0.906 -7.214 5.537) 9.139 4.900 ( 0.859 1.738 -4.645) 5.033 5.014 ( 1.035 -1.379 -2.445) 2.992 5.180 ( 0.870 -5.577 5.716) 8.033 5.987 ( 0.065 2.276 -9.491) 9.760 6.522 ( -6.940 6.862 11.051) 14.744 6.747 ( 7.250 -4.828 11.184) 14.176 7.649 ( -1.620 -8.042 8.731) 11.980 8.040 ( 3.437 13.602 -3.676) 14.503 8.456 ( -2.974 -6.654 -2.714) 7.777 8.949 ( -0.069 -2.033 3.043) 3.660 9.675 ( -5.118 4.947 2.048) 7.407 9.966 ( 6.041 -11.125 2.768) 12.959 10.798 ( 2.060 9.670 -2.212) 10.131 11.169 ( 0.357 -6.983 -4.815) 8.490 12.192 ( -1.580 -2.577 -18.867) 19.108 14.259 ( 1.365 16.001 -9.111) 18.463 14.657 ( -4.016 17.373 12.910) 22.014 14.877 ( 10.534 -0.744 1.162) 10.624 15.199 ( -16.423 -4.091 -15.057) 22.653 15.875 ( 8.207 -26.267 6.762) 28.338 17.409 ( 0.819 1.073 3.059) 3.343 ======================= Grid point 899 (174/174) ======================= q-point: (-0.33 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -4.596 -7.960 1.662) 9.340 2.889 ( 4.596 7.960 1.662) 9.340 3.761 ( 0.000 0.000 1.155) 1.155 4.148 ( 0.000 0.000 -6.140) 6.140 4.337 ( -1.583 -2.741 1.187) 3.381 4.337 ( 1.583 2.741 1.187) 3.381 4.968 ( -1.850 -3.205 -1.688) 4.068 4.968 ( 1.850 3.205 -1.688) 4.068 5.111 ( 0.000 0.000 5.791) 5.791 6.010 ( 0.000 0.000 -10.113) 10.113 6.652 ( -2.846 -4.930 11.431) 12.770 6.652 ( 2.846 4.930 11.431) 12.770 7.556 ( 0.000 0.000 9.380) 9.380 8.285 ( -5.490 -9.509 -3.591) 11.552 8.285 ( 5.490 9.509 -3.591) 11.552 8.926 ( 0.000 0.000 3.266) 3.266 9.787 ( -3.562 -6.170 2.529) 7.560 9.787 ( 3.562 6.170 2.529) 7.560 11.000 ( -5.070 -8.781 -2.761) 10.509 11.000 ( 5.070 8.781 -2.761) 10.509 12.165 ( 0.000 0.000 -20.548) 20.548 14.567 ( -7.297 -12.639 -4.389) 15.240 14.567 ( 7.297 12.639 -4.389) 15.240 15.130 ( -4.088 -7.081 -3.423) 8.864 15.130 ( 4.088 7.081 -3.423) 8.864 15.497 ( -0.000 -0.000 11.579) 11.579 17.420 ( 0.000 0.000 2.956) 2.956 =================== 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 3/42768 10.0 952.564 952.564 879.589 0.000 -0.000 -0.000 3/42768 20.0 460.557 460.557 530.051 0.000 -0.000 -0.000 3/42768 30.0 183.406 183.406 216.531 0.000 -0.000 -0.000 3/42768 40.0 96.269 96.269 116.090 0.000 -0.000 -0.000 3/42768 50.0 58.892 58.892 71.977 0.000 -0.000 -0.000 3/42768 60.0 39.386 39.386 48.480 0.000 -0.000 -0.000 3/42768 70.0 28.123 28.123 34.806 0.000 -0.000 -0.000 3/42768 80.0 21.175 21.175 26.360 0.000 -0.000 -0.000 3/42768 90.0 16.651 16.651 20.857 0.000 -0.000 -0.000 3/42768 100.0 13.564 13.564 17.093 0.000 -0.000 -0.000 3/42768 110.0 11.370 11.370 14.409 0.000 -0.000 -0.000 3/42768 120.0 9.756 9.756 12.425 0.000 -0.000 -0.000 3/42768 130.0 8.531 8.531 10.913 0.000 -0.000 -0.000 3/42768 140.0 7.578 7.578 9.730 0.000 -0.000 -0.000 3/42768 150.0 6.819 6.819 8.784 0.000 -0.000 -0.000 3/42768 160.0 6.202 6.202 8.013 0.000 -0.000 -0.000 3/42768 170.0 5.693 5.693 7.373 0.000 -0.000 -0.000 3/42768 180.0 5.265 5.265 6.834 0.000 -0.000 -0.000 3/42768 190.0 4.902 4.902 6.374 0.000 -0.000 -0.000 3/42768 200.0 4.588 4.588 5.978 0.000 -0.000 -0.000 3/42768 210.0 4.316 4.316 5.631 0.000 -0.000 -0.000 3/42768 220.0 4.077 4.077 5.327 0.000 -0.000 -0.000 3/42768 230.0 3.865 3.865 5.056 0.000 -0.000 -0.000 3/42768 240.0 3.676 3.676 4.814 0.000 -0.000 -0.000 3/42768 250.0 3.506 3.506 4.596 0.000 -0.000 -0.000 3/42768 260.0 3.352 3.352 4.398 0.000 -0.000 -0.000 3/42768 270.0 3.212 3.212 4.218 0.000 -0.000 -0.000 3/42768 280.0 3.084 3.084 4.053 0.000 -0.000 -0.000 3/42768 290.0 2.967 2.967 3.902 0.000 -0.000 -0.000 3/42768 300.0 2.859 2.859 3.762 0.000 -0.000 -0.000 3/42768 310.0 2.759 2.759 3.633 0.000 -0.000 -0.000 3/42768 320.0 2.666 2.666 3.512 0.000 -0.000 -0.000 3/42768 330.0 2.580 2.580 3.400 0.000 -0.000 -0.000 3/42768 340.0 2.499 2.499 3.295 0.000 -0.000 -0.000 3/42768 350.0 2.424 2.424 3.197 0.000 -0.000 -0.000 3/42768 360.0 2.353 2.353 3.105 0.000 -0.000 -0.000 3/42768 370.0 2.286 2.286 3.018 0.000 -0.000 -0.000 3/42768 380.0 2.223 2.223 2.936 0.000 -0.000 -0.000 3/42768 390.0 2.164 2.164 2.858 0.000 -0.000 -0.000 3/42768 400.0 2.108 2.108 2.785 0.000 -0.000 -0.000 3/42768 410.0 2.055 2.055 2.715 0.000 -0.000 -0.000 3/42768 420.0 2.004 2.004 2.649 0.000 -0.000 -0.000 3/42768 430.0 1.956 1.956 2.586 0.000 -0.000 -0.000 3/42768 440.0 1.911 1.911 2.526 0.000 -0.000 -0.000 3/42768 450.0 1.867 1.867 2.469 0.000 -0.000 -0.000 3/42768 460.0 1.825 1.825 2.415 0.000 -0.000 -0.000 3/42768 470.0 1.786 1.786 2.363 0.000 -0.000 -0.000 3/42768 480.0 1.748 1.748 2.313 0.000 -0.000 -0.000 3/42768 490.0 1.711 1.711 2.265 0.000 -0.000 -0.000 3/42768 500.0 1.677 1.677 2.219 0.000 -0.000 -0.000 3/42768 510.0 1.643 1.643 2.175 0.000 -0.000 -0.000 3/42768 520.0 1.611 1.611 2.133 0.000 -0.000 -0.000 3/42768 530.0 1.580 1.580 2.092 0.000 -0.000 -0.000 3/42768 540.0 1.551 1.551 2.053 0.000 -0.000 -0.000 3/42768 550.0 1.522 1.522 2.016 0.000 -0.000 -0.000 3/42768 560.0 1.495 1.495 1.980 0.000 -0.000 -0.000 3/42768 570.0 1.468 1.468 1.945 0.000 -0.000 -0.000 3/42768 580.0 1.442 1.442 1.911 0.000 -0.000 -0.000 3/42768 590.0 1.418 1.418 1.878 0.000 -0.000 -0.000 3/42768 600.0 1.394 1.394 1.847 0.000 -0.000 -0.000 3/42768 610.0 1.371 1.371 1.816 0.000 -0.000 -0.000 3/42768 620.0 1.348 1.348 1.787 0.000 -0.000 -0.000 3/42768 630.0 1.327 1.327 1.759 0.000 -0.000 -0.000 3/42768 640.0 1.306 1.306 1.731 0.000 -0.000 -0.000 3/42768 650.0 1.286 1.286 1.704 0.000 -0.000 -0.000 3/42768 660.0 1.266 1.266 1.678 0.000 -0.000 -0.000 3/42768 670.0 1.247 1.247 1.653 0.000 -0.000 -0.000 3/42768 680.0 1.229 1.229 1.629 0.000 -0.000 -0.000 3/42768 690.0 1.211 1.211 1.605 0.000 -0.000 -0.000 3/42768 700.0 1.193 1.193 1.582 0.000 -0.000 -0.000 3/42768 710.0 1.176 1.176 1.560 0.000 -0.000 -0.000 3/42768 720.0 1.160 1.160 1.538 0.000 -0.000 -0.000 3/42768 730.0 1.144 1.144 1.517 0.000 -0.000 -0.000 3/42768 740.0 1.129 1.129 1.497 0.000 -0.000 -0.000 3/42768 750.0 1.113 1.113 1.477 0.000 -0.000 -0.000 3/42768 760.0 1.099 1.099 1.457 0.000 -0.000 -0.000 3/42768 770.0 1.084 1.084 1.438 0.000 -0.000 -0.000 3/42768 780.0 1.070 1.070 1.420 0.000 -0.000 -0.000 3/42768 790.0 1.057 1.057 1.402 0.000 -0.000 -0.000 3/42768 800.0 1.044 1.044 1.384 0.000 -0.000 -0.000 3/42768 810.0 1.031 1.031 1.367 0.000 -0.000 -0.000 3/42768 820.0 1.018 1.018 1.350 0.000 -0.000 -0.000 3/42768 830.0 1.006 1.006 1.334 0.000 -0.000 -0.000 3/42768 840.0 0.994 0.994 1.318 0.000 -0.000 -0.000 3/42768 850.0 0.982 0.982 1.303 0.000 -0.000 -0.000 3/42768 860.0 0.971 0.971 1.288 0.000 -0.000 -0.000 3/42768 870.0 0.959 0.959 1.273 0.000 -0.000 -0.000 3/42768 880.0 0.948 0.948 1.258 0.000 -0.000 -0.000 3/42768 890.0 0.938 0.938 1.244 0.000 -0.000 -0.000 3/42768 900.0 0.927 0.927 1.230 0.000 -0.000 -0.000 3/42768 910.0 0.917 0.917 1.217 0.000 -0.000 -0.000 3/42768 920.0 0.907 0.907 1.204 0.000 -0.000 -0.000 3/42768 930.0 0.897 0.897 1.191 0.000 -0.000 -0.000 3/42768 940.0 0.888 0.888 1.178 0.000 -0.000 -0.000 3/42768 950.0 0.878 0.878 1.166 0.000 -0.000 -0.000 3/42768 960.0 0.869 0.869 1.154 0.000 -0.000 -0.000 3/42768 970.0 0.860 0.860 1.142 0.000 -0.000 -0.000 3/42768 980.0 0.852 0.852 1.130 0.000 -0.000 -0.000 3/42768 990.0 0.843 0.843 1.119 0.000 -0.000 -0.000 3/42768 1000.0 0.834 0.834 1.107 0.000 -0.000 -0.000 3/42768 Thermal conductivity related properties were written into "kappa-m121211.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|