----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:11:19]------------------------- 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: [4 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 384 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.695946688408539 0.000000000000000 0.000000000000000 b -1.347973344204269 2.334758319410325 0.000000000000000 c 0.000000000000000 0.000000000000000 4.377718680000000 Atomic positions (fractional): *1 Be 0.33333333333333 0.66666666666667 0.00011778120535 9.012 2 Be 0.66666666666667 0.33333333333333 0.50011778120535 9.012 *3 O 0.33333333333333 0.66666666666667 0.62238221879464 15.999 4 O 0.66666666666667 0.33333333333333 0.12238221879464 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.695946688408539 0.000000000000000 0.000000000000000 b -1.347973344204269 2.334758319410325 0.000000000000000 c 0.000000000000000 0.000000000000000 4.377718680000000 Atomic positions (fractional): *1 Be 0.33333333333333 0.66666666666667 0.00011778120535 9.012 > 1 2 Be 0.66666666666667 0.33333333333333 0.50011778120535 9.012 > 2 *3 O 0.33333333333333 0.66666666666667 0.62238221879464 15.999 > 3 4 O 0.66666666666667 0.33333333333333 0.12238221879464 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.783786753634155 0.000000000000000 0.000000000000000 b -5.391893376817076 9.339033277641301 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755437360000000 Atomic positions (fractional): *1 Be 0.08333333333333 0.16666666666667 0.00005889060267 9.012 > 1 2 Be 0.33333333333333 0.16666666666667 0.00005889060267 9.012 > 1 3 Be 0.58333333333333 0.16666666666667 0.00005889060267 9.012 > 1 4 Be 0.83333333333333 0.16666666666667 0.00005889060267 9.012 > 1 5 Be 0.08333333333333 0.41666666666667 0.00005889060267 9.012 > 1 6 Be 0.33333333333333 0.41666666666667 0.00005889060267 9.012 > 1 7 Be 0.58333333333333 0.41666666666667 0.00005889060267 9.012 > 1 8 Be 0.83333333333333 0.41666666666667 0.00005889060267 9.012 > 1 9 Be 0.08333333333333 0.66666666666667 0.00005889060267 9.012 > 1 10 Be 0.33333333333333 0.66666666666667 0.00005889060267 9.012 > 1 11 Be 0.58333333333333 0.66666666666667 0.00005889060267 9.012 > 1 12 Be 0.83333333333333 0.66666666666667 0.00005889060267 9.012 > 1 13 Be 0.08333333333333 0.91666666666667 0.00005889060267 9.012 > 1 14 Be 0.33333333333333 0.91666666666667 0.00005889060267 9.012 > 1 15 Be 0.58333333333333 0.91666666666667 0.00005889060267 9.012 > 1 16 Be 0.83333333333333 0.91666666666667 0.00005889060267 9.012 > 1 17 Be 0.08333333333333 0.16666666666667 0.50005889060267 9.012 > 1 18 Be 0.33333333333333 0.16666666666667 0.50005889060267 9.012 > 1 19 Be 0.58333333333333 0.16666666666667 0.50005889060267 9.012 > 1 20 Be 0.83333333333333 0.16666666666667 0.50005889060267 9.012 > 1 21 Be 0.08333333333333 0.41666666666667 0.50005889060267 9.012 > 1 22 Be 0.33333333333333 0.41666666666667 0.50005889060267 9.012 > 1 23 Be 0.58333333333333 0.41666666666667 0.50005889060267 9.012 > 1 24 Be 0.83333333333333 0.41666666666667 0.50005889060267 9.012 > 1 25 Be 0.08333333333333 0.66666666666667 0.50005889060267 9.012 > 1 26 Be 0.33333333333333 0.66666666666667 0.50005889060267 9.012 > 1 27 Be 0.58333333333333 0.66666666666667 0.50005889060267 9.012 > 1 28 Be 0.83333333333333 0.66666666666667 0.50005889060267 9.012 > 1 29 Be 0.08333333333333 0.91666666666667 0.50005889060267 9.012 > 1 30 Be 0.33333333333333 0.91666666666667 0.50005889060267 9.012 > 1 31 Be 0.58333333333333 0.91666666666667 0.50005889060267 9.012 > 1 32 Be 0.83333333333333 0.91666666666667 0.50005889060267 9.012 > 1 33 Be 0.16666666666667 0.08333333333333 0.25005889060267 9.012 > 2 34 Be 0.41666666666667 0.08333333333333 0.25005889060267 9.012 > 2 35 Be 0.66666666666667 0.08333333333333 0.25005889060267 9.012 > 2 36 Be 0.91666666666667 0.08333333333333 0.25005889060267 9.012 > 2 37 Be 0.16666666666667 0.33333333333333 0.25005889060267 9.012 > 2 38 Be 0.41666666666667 0.33333333333333 0.25005889060267 9.012 > 2 39 Be 0.66666666666667 0.33333333333333 0.25005889060267 9.012 > 2 40 Be 0.91666666666667 0.33333333333333 0.25005889060267 9.012 > 2 41 Be 0.16666666666667 0.58333333333333 0.25005889060267 9.012 > 2 42 Be 0.41666666666667 0.58333333333333 0.25005889060267 9.012 > 2 43 Be 0.66666666666667 0.58333333333333 0.25005889060267 9.012 > 2 44 Be 0.91666666666667 0.58333333333333 0.25005889060267 9.012 > 2 45 Be 0.16666666666667 0.83333333333333 0.25005889060267 9.012 > 2 46 Be 0.41666666666667 0.83333333333333 0.25005889060267 9.012 > 2 47 Be 0.66666666666667 0.83333333333333 0.25005889060267 9.012 > 2 48 Be 0.91666666666667 0.83333333333333 0.25005889060267 9.012 > 2 49 Be 0.16666666666667 0.08333333333333 0.75005889060267 9.012 > 2 50 Be 0.41666666666667 0.08333333333333 0.75005889060267 9.012 > 2 51 Be 0.66666666666667 0.08333333333333 0.75005889060267 9.012 > 2 52 Be 0.91666666666667 0.08333333333333 0.75005889060267 9.012 > 2 53 Be 0.16666666666667 0.33333333333333 0.75005889060267 9.012 > 2 54 Be 0.41666666666667 0.33333333333333 0.75005889060267 9.012 > 2 55 Be 0.66666666666667 0.33333333333333 0.75005889060267 9.012 > 2 56 Be 0.91666666666667 0.33333333333333 0.75005889060267 9.012 > 2 57 Be 0.16666666666667 0.58333333333333 0.75005889060267 9.012 > 2 58 Be 0.41666666666667 0.58333333333333 0.75005889060267 9.012 > 2 59 Be 0.66666666666667 0.58333333333333 0.75005889060267 9.012 > 2 60 Be 0.91666666666667 0.58333333333333 0.75005889060267 9.012 > 2 61 Be 0.16666666666667 0.83333333333333 0.75005889060267 9.012 > 2 62 Be 0.41666666666667 0.83333333333333 0.75005889060267 9.012 > 2 63 Be 0.66666666666667 0.83333333333333 0.75005889060267 9.012 > 2 64 Be 0.91666666666667 0.83333333333333 0.75005889060267 9.012 > 2 *65 O 0.08333333333333 0.16666666666667 0.31119110939732 15.999 > 3 66 O 0.33333333333333 0.16666666666667 0.31119110939732 15.999 > 3 67 O 0.58333333333333 0.16666666666667 0.31119110939732 15.999 > 3 68 O 0.83333333333333 0.16666666666667 0.31119110939732 15.999 > 3 69 O 0.08333333333333 0.41666666666667 0.31119110939732 15.999 > 3 70 O 0.33333333333333 0.41666666666667 0.31119110939732 15.999 > 3 71 O 0.58333333333333 0.41666666666667 0.31119110939732 15.999 > 3 72 O 0.83333333333333 0.41666666666667 0.31119110939732 15.999 > 3 73 O 0.08333333333333 0.66666666666667 0.31119110939732 15.999 > 3 74 O 0.33333333333333 0.66666666666667 0.31119110939732 15.999 > 3 75 O 0.58333333333333 0.66666666666667 0.31119110939732 15.999 > 3 76 O 0.83333333333333 0.66666666666667 0.31119110939732 15.999 > 3 77 O 0.08333333333333 0.91666666666667 0.31119110939732 15.999 > 3 78 O 0.33333333333333 0.91666666666667 0.31119110939732 15.999 > 3 79 O 0.58333333333333 0.91666666666667 0.31119110939732 15.999 > 3 80 O 0.83333333333333 0.91666666666667 0.31119110939732 15.999 > 3 81 O 0.08333333333333 0.16666666666667 0.81119110939732 15.999 > 3 82 O 0.33333333333333 0.16666666666667 0.81119110939732 15.999 > 3 83 O 0.58333333333333 0.16666666666667 0.81119110939732 15.999 > 3 84 O 0.83333333333333 0.16666666666667 0.81119110939732 15.999 > 3 85 O 0.08333333333333 0.41666666666667 0.81119110939732 15.999 > 3 86 O 0.33333333333333 0.41666666666667 0.81119110939732 15.999 > 3 87 O 0.58333333333333 0.41666666666667 0.81119110939732 15.999 > 3 88 O 0.83333333333333 0.41666666666667 0.81119110939732 15.999 > 3 89 O 0.08333333333333 0.66666666666667 0.81119110939732 15.999 > 3 90 O 0.33333333333333 0.66666666666667 0.81119110939732 15.999 > 3 91 O 0.58333333333333 0.66666666666667 0.81119110939732 15.999 > 3 92 O 0.83333333333333 0.66666666666667 0.81119110939732 15.999 > 3 93 O 0.08333333333333 0.91666666666667 0.81119110939732 15.999 > 3 94 O 0.33333333333333 0.91666666666667 0.81119110939732 15.999 > 3 95 O 0.58333333333333 0.91666666666667 0.81119110939732 15.999 > 3 96 O 0.83333333333333 0.91666666666667 0.81119110939732 15.999 > 3 97 O 0.16666666666667 0.08333333333333 0.06119110939732 15.999 > 4 98 O 0.41666666666667 0.08333333333333 0.06119110939732 15.999 > 4 99 O 0.66666666666667 0.08333333333333 0.06119110939732 15.999 > 4 100 O 0.91666666666667 0.08333333333333 0.06119110939732 15.999 > 4 101 O 0.16666666666667 0.33333333333333 0.06119110939732 15.999 > 4 102 O 0.41666666666667 0.33333333333333 0.06119110939732 15.999 > 4 103 O 0.66666666666667 0.33333333333333 0.06119110939732 15.999 > 4 104 O 0.91666666666667 0.33333333333333 0.06119110939732 15.999 > 4 105 O 0.16666666666667 0.58333333333333 0.06119110939732 15.999 > 4 106 O 0.41666666666667 0.58333333333333 0.06119110939732 15.999 > 4 107 O 0.66666666666667 0.58333333333333 0.06119110939732 15.999 > 4 108 O 0.91666666666667 0.58333333333333 0.06119110939732 15.999 > 4 109 O 0.16666666666667 0.83333333333333 0.06119110939732 15.999 > 4 110 O 0.41666666666667 0.83333333333333 0.06119110939732 15.999 > 4 111 O 0.66666666666667 0.83333333333333 0.06119110939732 15.999 > 4 112 O 0.91666666666667 0.83333333333333 0.06119110939732 15.999 > 4 113 O 0.16666666666667 0.08333333333333 0.56119110939732 15.999 > 4 114 O 0.41666666666667 0.08333333333333 0.56119110939732 15.999 > 4 115 O 0.66666666666667 0.08333333333333 0.56119110939732 15.999 > 4 116 O 0.91666666666667 0.08333333333333 0.56119110939732 15.999 > 4 117 O 0.16666666666667 0.33333333333333 0.56119110939732 15.999 > 4 118 O 0.41666666666667 0.33333333333333 0.56119110939732 15.999 > 4 119 O 0.66666666666667 0.33333333333333 0.56119110939732 15.999 > 4 120 O 0.91666666666667 0.33333333333333 0.56119110939732 15.999 > 4 121 O 0.16666666666667 0.58333333333333 0.56119110939732 15.999 > 4 122 O 0.41666666666667 0.58333333333333 0.56119110939732 15.999 > 4 123 O 0.66666666666667 0.58333333333333 0.56119110939732 15.999 > 4 124 O 0.91666666666667 0.58333333333333 0.56119110939732 15.999 > 4 125 O 0.16666666666667 0.83333333333333 0.56119110939732 15.999 > 4 126 O 0.41666666666667 0.83333333333333 0.56119110939732 15.999 > 4 127 O 0.66666666666667 0.83333333333333 0.56119110939732 15.999 > 4 128 O 0.91666666666667 0.83333333333333 0.56119110939732 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0954522 0.0000000 0.0000000 -0.0000000 3.0954522 0.0000000 0.0000000 0.0000000 3.1620567 -------------------------- Born effective charges -------------------------- 1 Be 1.7793251 0.0000000 0.0000000 0.0000000 1.7793251 0.0000000 0.0000000 0.0000000 1.8413702 2 Be 1.7793251 0.0000000 0.0000000 0.0000000 1.7793251 0.0000000 0.0000000 0.0000000 1.8413702 3 O -1.7793251 -0.0000000 0.0000000 -0.0000000 -1.7793251 0.0000000 0.0000000 0.0000000 -1.8413702 4 O -1.7793251 -0.0000000 0.0000000 -0.0000000 -1.7793251 0.0000000 0.0000000 0.0000000 -1.8413702 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 2856/2856 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 188 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 98 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 46 Use standard eigh solver. Tree of FC basis block matrices: - (224, 220), data: False |-- (46, 44), data: True |-- (80, 80), data: True |-- (98, 96), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 80 / 80 - Time: 0.157 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.168 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 2856/2856 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 188 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 98 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 46 Use standard eigh solver. Tree of FC basis block matrices: - (224, 220), data: False |-- (46, 44), data: True |-- (80, 80), data: True |-- (98, 96), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:11:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:11:23]------------------------- 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): [4 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.695946688408539 0.000000000000000 0.000000000000000 b -1.347973344204269 2.334758319410325 0.000000000000000 c 0.000000000000000 0.000000000000000 4.377718680000000 Atomic positions (fractional): 1 Be 0.33333333333333 0.66666666666667 0.00011778120535 9.012 2 Be 0.66666666666667 0.33333333333333 0.50011778120535 9.012 3 O 0.33333333333333 0.66666666666667 0.62238221879464 15.999 4 O 0.66666666666667 0.33333333333333 0.12238221879464 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.783786753634155 0.000000000000000 0.000000000000000 b -5.391893376817076 9.339033277641301 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755437360000000 Atomic positions (fractional): 1 Be 0.08333333333333 0.16666666666667 0.00005889060267 9.012 > 1 2 Be 0.33333333333333 0.16666666666667 0.00005889060267 9.012 > 1 3 Be 0.58333333333333 0.16666666666667 0.00005889060267 9.012 > 1 4 Be 0.83333333333333 0.16666666666667 0.00005889060267 9.012 > 1 5 Be 0.08333333333333 0.41666666666667 0.00005889060267 9.012 > 1 6 Be 0.33333333333333 0.41666666666667 0.00005889060267 9.012 > 1 7 Be 0.58333333333333 0.41666666666667 0.00005889060267 9.012 > 1 8 Be 0.83333333333333 0.41666666666667 0.00005889060267 9.012 > 1 9 Be 0.08333333333333 0.66666666666667 0.00005889060267 9.012 > 1 10 Be 0.33333333333333 0.66666666666667 0.00005889060267 9.012 > 1 11 Be 0.58333333333333 0.66666666666667 0.00005889060267 9.012 > 1 12 Be 0.83333333333333 0.66666666666667 0.00005889060267 9.012 > 1 13 Be 0.08333333333333 0.91666666666667 0.00005889060267 9.012 > 1 14 Be 0.33333333333333 0.91666666666667 0.00005889060267 9.012 > 1 15 Be 0.58333333333333 0.91666666666667 0.00005889060267 9.012 > 1 16 Be 0.83333333333333 0.91666666666667 0.00005889060267 9.012 > 1 17 Be 0.08333333333333 0.16666666666667 0.50005889060267 9.012 > 1 18 Be 0.33333333333333 0.16666666666667 0.50005889060267 9.012 > 1 19 Be 0.58333333333333 0.16666666666667 0.50005889060267 9.012 > 1 20 Be 0.83333333333333 0.16666666666667 0.50005889060267 9.012 > 1 21 Be 0.08333333333333 0.41666666666667 0.50005889060267 9.012 > 1 22 Be 0.33333333333333 0.41666666666667 0.50005889060267 9.012 > 1 23 Be 0.58333333333333 0.41666666666667 0.50005889060267 9.012 > 1 24 Be 0.83333333333333 0.41666666666667 0.50005889060267 9.012 > 1 25 Be 0.08333333333333 0.66666666666667 0.50005889060267 9.012 > 1 26 Be 0.33333333333333 0.66666666666667 0.50005889060267 9.012 > 1 27 Be 0.58333333333333 0.66666666666667 0.50005889060267 9.012 > 1 28 Be 0.83333333333333 0.66666666666667 0.50005889060267 9.012 > 1 29 Be 0.08333333333333 0.91666666666667 0.50005889060267 9.012 > 1 30 Be 0.33333333333333 0.91666666666667 0.50005889060267 9.012 > 1 31 Be 0.58333333333333 0.91666666666667 0.50005889060267 9.012 > 1 32 Be 0.83333333333333 0.91666666666667 0.50005889060267 9.012 > 1 33 Be 0.16666666666667 0.08333333333333 0.25005889060267 9.012 > 33 34 Be 0.41666666666667 0.08333333333333 0.25005889060267 9.012 > 33 35 Be 0.66666666666667 0.08333333333333 0.25005889060267 9.012 > 33 36 Be 0.91666666666667 0.08333333333333 0.25005889060267 9.012 > 33 37 Be 0.16666666666667 0.33333333333333 0.25005889060267 9.012 > 33 38 Be 0.41666666666667 0.33333333333333 0.25005889060267 9.012 > 33 39 Be 0.66666666666667 0.33333333333333 0.25005889060267 9.012 > 33 40 Be 0.91666666666667 0.33333333333333 0.25005889060267 9.012 > 33 41 Be 0.16666666666667 0.58333333333333 0.25005889060267 9.012 > 33 42 Be 0.41666666666667 0.58333333333333 0.25005889060267 9.012 > 33 43 Be 0.66666666666667 0.58333333333333 0.25005889060267 9.012 > 33 44 Be 0.91666666666667 0.58333333333333 0.25005889060267 9.012 > 33 45 Be 0.16666666666667 0.83333333333333 0.25005889060267 9.012 > 33 46 Be 0.41666666666667 0.83333333333333 0.25005889060267 9.012 > 33 47 Be 0.66666666666667 0.83333333333333 0.25005889060267 9.012 > 33 48 Be 0.91666666666667 0.83333333333333 0.25005889060267 9.012 > 33 49 Be 0.16666666666667 0.08333333333333 0.75005889060267 9.012 > 33 50 Be 0.41666666666667 0.08333333333333 0.75005889060267 9.012 > 33 51 Be 0.66666666666667 0.08333333333333 0.75005889060267 9.012 > 33 52 Be 0.91666666666667 0.08333333333333 0.75005889060267 9.012 > 33 53 Be 0.16666666666667 0.33333333333333 0.75005889060267 9.012 > 33 54 Be 0.41666666666667 0.33333333333333 0.75005889060267 9.012 > 33 55 Be 0.66666666666667 0.33333333333333 0.75005889060267 9.012 > 33 56 Be 0.91666666666667 0.33333333333333 0.75005889060267 9.012 > 33 57 Be 0.16666666666667 0.58333333333333 0.75005889060267 9.012 > 33 58 Be 0.41666666666667 0.58333333333333 0.75005889060267 9.012 > 33 59 Be 0.66666666666667 0.58333333333333 0.75005889060267 9.012 > 33 60 Be 0.91666666666667 0.58333333333333 0.75005889060267 9.012 > 33 61 Be 0.16666666666667 0.83333333333333 0.75005889060267 9.012 > 33 62 Be 0.41666666666667 0.83333333333333 0.75005889060267 9.012 > 33 63 Be 0.66666666666667 0.83333333333333 0.75005889060267 9.012 > 33 64 Be 0.91666666666667 0.83333333333333 0.75005889060267 9.012 > 33 65 O 0.08333333333333 0.16666666666667 0.31119110939732 15.999 > 65 66 O 0.33333333333333 0.16666666666667 0.31119110939732 15.999 > 65 67 O 0.58333333333333 0.16666666666667 0.31119110939732 15.999 > 65 68 O 0.83333333333333 0.16666666666667 0.31119110939732 15.999 > 65 69 O 0.08333333333333 0.41666666666667 0.31119110939732 15.999 > 65 70 O 0.33333333333333 0.41666666666667 0.31119110939732 15.999 > 65 71 O 0.58333333333333 0.41666666666667 0.31119110939732 15.999 > 65 72 O 0.83333333333333 0.41666666666667 0.31119110939732 15.999 > 65 73 O 0.08333333333333 0.66666666666667 0.31119110939732 15.999 > 65 74 O 0.33333333333333 0.66666666666667 0.31119110939732 15.999 > 65 75 O 0.58333333333333 0.66666666666667 0.31119110939732 15.999 > 65 76 O 0.83333333333333 0.66666666666667 0.31119110939732 15.999 > 65 77 O 0.08333333333333 0.91666666666667 0.31119110939732 15.999 > 65 78 O 0.33333333333333 0.91666666666667 0.31119110939732 15.999 > 65 79 O 0.58333333333333 0.91666666666667 0.31119110939732 15.999 > 65 80 O 0.83333333333333 0.91666666666667 0.31119110939732 15.999 > 65 81 O 0.08333333333333 0.16666666666667 0.81119110939732 15.999 > 65 82 O 0.33333333333333 0.16666666666667 0.81119110939732 15.999 > 65 83 O 0.58333333333333 0.16666666666667 0.81119110939732 15.999 > 65 84 O 0.83333333333333 0.16666666666667 0.81119110939732 15.999 > 65 85 O 0.08333333333333 0.41666666666667 0.81119110939732 15.999 > 65 86 O 0.33333333333333 0.41666666666667 0.81119110939732 15.999 > 65 87 O 0.58333333333333 0.41666666666667 0.81119110939732 15.999 > 65 88 O 0.83333333333333 0.41666666666667 0.81119110939732 15.999 > 65 89 O 0.08333333333333 0.66666666666667 0.81119110939732 15.999 > 65 90 O 0.33333333333333 0.66666666666667 0.81119110939732 15.999 > 65 91 O 0.58333333333333 0.66666666666667 0.81119110939732 15.999 > 65 92 O 0.83333333333333 0.66666666666667 0.81119110939732 15.999 > 65 93 O 0.08333333333333 0.91666666666667 0.81119110939732 15.999 > 65 94 O 0.33333333333333 0.91666666666667 0.81119110939732 15.999 > 65 95 O 0.58333333333333 0.91666666666667 0.81119110939732 15.999 > 65 96 O 0.83333333333333 0.91666666666667 0.81119110939732 15.999 > 65 97 O 0.16666666666667 0.08333333333333 0.06119110939732 15.999 > 97 98 O 0.41666666666667 0.08333333333333 0.06119110939732 15.999 > 97 99 O 0.66666666666667 0.08333333333333 0.06119110939732 15.999 > 97 100 O 0.91666666666667 0.08333333333333 0.06119110939732 15.999 > 97 101 O 0.16666666666667 0.33333333333333 0.06119110939732 15.999 > 97 102 O 0.41666666666667 0.33333333333333 0.06119110939732 15.999 > 97 103 O 0.66666666666667 0.33333333333333 0.06119110939732 15.999 > 97 104 O 0.91666666666667 0.33333333333333 0.06119110939732 15.999 > 97 105 O 0.16666666666667 0.58333333333333 0.06119110939732 15.999 > 97 106 O 0.41666666666667 0.58333333333333 0.06119110939732 15.999 > 97 107 O 0.66666666666667 0.58333333333333 0.06119110939732 15.999 > 97 108 O 0.91666666666667 0.58333333333333 0.06119110939732 15.999 > 97 109 O 0.16666666666667 0.83333333333333 0.06119110939732 15.999 > 97 110 O 0.41666666666667 0.83333333333333 0.06119110939732 15.999 > 97 111 O 0.66666666666667 0.83333333333333 0.06119110939732 15.999 > 97 112 O 0.91666666666667 0.83333333333333 0.06119110939732 15.999 > 97 113 O 0.16666666666667 0.08333333333333 0.56119110939732 15.999 > 97 114 O 0.41666666666667 0.08333333333333 0.56119110939732 15.999 > 97 115 O 0.66666666666667 0.08333333333333 0.56119110939732 15.999 > 97 116 O 0.91666666666667 0.08333333333333 0.56119110939732 15.999 > 97 117 O 0.16666666666667 0.33333333333333 0.56119110939732 15.999 > 97 118 O 0.41666666666667 0.33333333333333 0.56119110939732 15.999 > 97 119 O 0.66666666666667 0.33333333333333 0.56119110939732 15.999 > 97 120 O 0.91666666666667 0.33333333333333 0.56119110939732 15.999 > 97 121 O 0.16666666666667 0.58333333333333 0.56119110939732 15.999 > 97 122 O 0.41666666666667 0.58333333333333 0.56119110939732 15.999 > 97 123 O 0.66666666666667 0.58333333333333 0.56119110939732 15.999 > 97 124 O 0.91666666666667 0.58333333333333 0.56119110939732 15.999 > 97 125 O 0.16666666666667 0.83333333333333 0.56119110939732 15.999 > 97 126 O 0.41666666666667 0.83333333333333 0.56119110939732 15.999 > 97 127 O 0.66666666666667 0.83333333333333 0.56119110939732 15.999 > 97 128 O 0.91666666666667 0.83333333333333 0.56119110939732 15.999 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0954522 0.0000000 0.0000000 -0.0000000 3.0954522 0.0000000 0.0000000 0.0000000 3.1620567 -------------------------- Born effective charges -------------------------- 1 Be 1.7793251 0.0000000 0.0000000 0.0000000 1.7793251 0.0000000 0.0000000 0.0000000 1.8413702 2 Be 1.7793251 0.0000000 0.0000000 0.0000000 1.7793251 0.0000000 0.0000000 0.0000000 1.8413702 3 O -1.7793251 -0.0000000 0.0000000 -0.0000000 -1.7793251 0.0000000 0.0000000 0.0000000 -1.8413702 4 O -1.7793251 -0.0000000 0.0000000 -0.0000000 -1.7793251 0.0000000 0.0000000 0.0000000 -1.8413702 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 19:11:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:11:29]------------------------- 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): [4 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.695946688408539 0.000000000000000 0.000000000000000 b -1.347973344204269 2.334758319410325 0.000000000000000 c 0.000000000000000 0.000000000000000 4.377718680000000 Atomic positions (fractional): 1 Be 0.33333333333333 0.66666666666667 0.00011778120535 9.012 2 Be 0.66666666666667 0.33333333333333 0.50011778120535 9.012 3 O 0.33333333333333 0.66666666666667 0.62238221879464 15.999 4 O 0.66666666666667 0.33333333333333 0.12238221879464 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.783786753634155 0.000000000000000 0.000000000000000 b -5.391893376817076 9.339033277641301 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755437360000000 Atomic positions (fractional): 1 Be 0.08333333333333 0.16666666666667 0.00005889060267 9.012 > 1 2 Be 0.33333333333333 0.16666666666667 0.00005889060267 9.012 > 1 3 Be 0.58333333333333 0.16666666666667 0.00005889060267 9.012 > 1 4 Be 0.83333333333333 0.16666666666667 0.00005889060267 9.012 > 1 5 Be 0.08333333333333 0.41666666666667 0.00005889060267 9.012 > 1 6 Be 0.33333333333333 0.41666666666667 0.00005889060267 9.012 > 1 7 Be 0.58333333333333 0.41666666666667 0.00005889060267 9.012 > 1 8 Be 0.83333333333333 0.41666666666667 0.00005889060267 9.012 > 1 9 Be 0.08333333333333 0.66666666666667 0.00005889060267 9.012 > 1 10 Be 0.33333333333333 0.66666666666667 0.00005889060267 9.012 > 1 11 Be 0.58333333333333 0.66666666666667 0.00005889060267 9.012 > 1 12 Be 0.83333333333333 0.66666666666667 0.00005889060267 9.012 > 1 13 Be 0.08333333333333 0.91666666666667 0.00005889060267 9.012 > 1 14 Be 0.33333333333333 0.91666666666667 0.00005889060267 9.012 > 1 15 Be 0.58333333333333 0.91666666666667 0.00005889060267 9.012 > 1 16 Be 0.83333333333333 0.91666666666667 0.00005889060267 9.012 > 1 17 Be 0.08333333333333 0.16666666666667 0.50005889060267 9.012 > 1 18 Be 0.33333333333333 0.16666666666667 0.50005889060267 9.012 > 1 19 Be 0.58333333333333 0.16666666666667 0.50005889060267 9.012 > 1 20 Be 0.83333333333333 0.16666666666667 0.50005889060267 9.012 > 1 21 Be 0.08333333333333 0.41666666666667 0.50005889060267 9.012 > 1 22 Be 0.33333333333333 0.41666666666667 0.50005889060267 9.012 > 1 23 Be 0.58333333333333 0.41666666666667 0.50005889060267 9.012 > 1 24 Be 0.83333333333333 0.41666666666667 0.50005889060267 9.012 > 1 25 Be 0.08333333333333 0.66666666666667 0.50005889060267 9.012 > 1 26 Be 0.33333333333333 0.66666666666667 0.50005889060267 9.012 > 1 27 Be 0.58333333333333 0.66666666666667 0.50005889060267 9.012 > 1 28 Be 0.83333333333333 0.66666666666667 0.50005889060267 9.012 > 1 29 Be 0.08333333333333 0.91666666666667 0.50005889060267 9.012 > 1 30 Be 0.33333333333333 0.91666666666667 0.50005889060267 9.012 > 1 31 Be 0.58333333333333 0.91666666666667 0.50005889060267 9.012 > 1 32 Be 0.83333333333333 0.91666666666667 0.50005889060267 9.012 > 1 33 Be 0.16666666666667 0.08333333333333 0.25005889060267 9.012 > 33 34 Be 0.41666666666667 0.08333333333333 0.25005889060267 9.012 > 33 35 Be 0.66666666666667 0.08333333333333 0.25005889060267 9.012 > 33 36 Be 0.91666666666667 0.08333333333333 0.25005889060267 9.012 > 33 37 Be 0.16666666666667 0.33333333333333 0.25005889060267 9.012 > 33 38 Be 0.41666666666667 0.33333333333333 0.25005889060267 9.012 > 33 39 Be 0.66666666666667 0.33333333333333 0.25005889060267 9.012 > 33 40 Be 0.91666666666667 0.33333333333333 0.25005889060267 9.012 > 33 41 Be 0.16666666666667 0.58333333333333 0.25005889060267 9.012 > 33 42 Be 0.41666666666667 0.58333333333333 0.25005889060267 9.012 > 33 43 Be 0.66666666666667 0.58333333333333 0.25005889060267 9.012 > 33 44 Be 0.91666666666667 0.58333333333333 0.25005889060267 9.012 > 33 45 Be 0.16666666666667 0.83333333333333 0.25005889060267 9.012 > 33 46 Be 0.41666666666667 0.83333333333333 0.25005889060267 9.012 > 33 47 Be 0.66666666666667 0.83333333333333 0.25005889060267 9.012 > 33 48 Be 0.91666666666667 0.83333333333333 0.25005889060267 9.012 > 33 49 Be 0.16666666666667 0.08333333333333 0.75005889060267 9.012 > 33 50 Be 0.41666666666667 0.08333333333333 0.75005889060267 9.012 > 33 51 Be 0.66666666666667 0.08333333333333 0.75005889060267 9.012 > 33 52 Be 0.91666666666667 0.08333333333333 0.75005889060267 9.012 > 33 53 Be 0.16666666666667 0.33333333333333 0.75005889060267 9.012 > 33 54 Be 0.41666666666667 0.33333333333333 0.75005889060267 9.012 > 33 55 Be 0.66666666666667 0.33333333333333 0.75005889060267 9.012 > 33 56 Be 0.91666666666667 0.33333333333333 0.75005889060267 9.012 > 33 57 Be 0.16666666666667 0.58333333333333 0.75005889060267 9.012 > 33 58 Be 0.41666666666667 0.58333333333333 0.75005889060267 9.012 > 33 59 Be 0.66666666666667 0.58333333333333 0.75005889060267 9.012 > 33 60 Be 0.91666666666667 0.58333333333333 0.75005889060267 9.012 > 33 61 Be 0.16666666666667 0.83333333333333 0.75005889060267 9.012 > 33 62 Be 0.41666666666667 0.83333333333333 0.75005889060267 9.012 > 33 63 Be 0.66666666666667 0.83333333333333 0.75005889060267 9.012 > 33 64 Be 0.91666666666667 0.83333333333333 0.75005889060267 9.012 > 33 65 O 0.08333333333333 0.16666666666667 0.31119110939732 15.999 > 65 66 O 0.33333333333333 0.16666666666667 0.31119110939732 15.999 > 65 67 O 0.58333333333333 0.16666666666667 0.31119110939732 15.999 > 65 68 O 0.83333333333333 0.16666666666667 0.31119110939732 15.999 > 65 69 O 0.08333333333333 0.41666666666667 0.31119110939732 15.999 > 65 70 O 0.33333333333333 0.41666666666667 0.31119110939732 15.999 > 65 71 O 0.58333333333333 0.41666666666667 0.31119110939732 15.999 > 65 72 O 0.83333333333333 0.41666666666667 0.31119110939732 15.999 > 65 73 O 0.08333333333333 0.66666666666667 0.31119110939732 15.999 > 65 74 O 0.33333333333333 0.66666666666667 0.31119110939732 15.999 > 65 75 O 0.58333333333333 0.66666666666667 0.31119110939732 15.999 > 65 76 O 0.83333333333333 0.66666666666667 0.31119110939732 15.999 > 65 77 O 0.08333333333333 0.91666666666667 0.31119110939732 15.999 > 65 78 O 0.33333333333333 0.91666666666667 0.31119110939732 15.999 > 65 79 O 0.58333333333333 0.91666666666667 0.31119110939732 15.999 > 65 80 O 0.83333333333333 0.91666666666667 0.31119110939732 15.999 > 65 81 O 0.08333333333333 0.16666666666667 0.81119110939732 15.999 > 65 82 O 0.33333333333333 0.16666666666667 0.81119110939732 15.999 > 65 83 O 0.58333333333333 0.16666666666667 0.81119110939732 15.999 > 65 84 O 0.83333333333333 0.16666666666667 0.81119110939732 15.999 > 65 85 O 0.08333333333333 0.41666666666667 0.81119110939732 15.999 > 65 86 O 0.33333333333333 0.41666666666667 0.81119110939732 15.999 > 65 87 O 0.58333333333333 0.41666666666667 0.81119110939732 15.999 > 65 88 O 0.83333333333333 0.41666666666667 0.81119110939732 15.999 > 65 89 O 0.08333333333333 0.66666666666667 0.81119110939732 15.999 > 65 90 O 0.33333333333333 0.66666666666667 0.81119110939732 15.999 > 65 91 O 0.58333333333333 0.66666666666667 0.81119110939732 15.999 > 65 92 O 0.83333333333333 0.66666666666667 0.81119110939732 15.999 > 65 93 O 0.08333333333333 0.91666666666667 0.81119110939732 15.999 > 65 94 O 0.33333333333333 0.91666666666667 0.81119110939732 15.999 > 65 95 O 0.58333333333333 0.91666666666667 0.81119110939732 15.999 > 65 96 O 0.83333333333333 0.91666666666667 0.81119110939732 15.999 > 65 97 O 0.16666666666667 0.08333333333333 0.06119110939732 15.999 > 97 98 O 0.41666666666667 0.08333333333333 0.06119110939732 15.999 > 97 99 O 0.66666666666667 0.08333333333333 0.06119110939732 15.999 > 97 100 O 0.91666666666667 0.08333333333333 0.06119110939732 15.999 > 97 101 O 0.16666666666667 0.33333333333333 0.06119110939732 15.999 > 97 102 O 0.41666666666667 0.33333333333333 0.06119110939732 15.999 > 97 103 O 0.66666666666667 0.33333333333333 0.06119110939732 15.999 > 97 104 O 0.91666666666667 0.33333333333333 0.06119110939732 15.999 > 97 105 O 0.16666666666667 0.58333333333333 0.06119110939732 15.999 > 97 106 O 0.41666666666667 0.58333333333333 0.06119110939732 15.999 > 97 107 O 0.66666666666667 0.58333333333333 0.06119110939732 15.999 > 97 108 O 0.91666666666667 0.58333333333333 0.06119110939732 15.999 > 97 109 O 0.16666666666667 0.83333333333333 0.06119110939732 15.999 > 97 110 O 0.41666666666667 0.83333333333333 0.06119110939732 15.999 > 97 111 O 0.66666666666667 0.83333333333333 0.06119110939732 15.999 > 97 112 O 0.91666666666667 0.83333333333333 0.06119110939732 15.999 > 97 113 O 0.16666666666667 0.08333333333333 0.56119110939732 15.999 > 97 114 O 0.41666666666667 0.08333333333333 0.56119110939732 15.999 > 97 115 O 0.66666666666667 0.08333333333333 0.56119110939732 15.999 > 97 116 O 0.91666666666667 0.08333333333333 0.56119110939732 15.999 > 97 117 O 0.16666666666667 0.33333333333333 0.56119110939732 15.999 > 97 118 O 0.41666666666667 0.33333333333333 0.56119110939732 15.999 > 97 119 O 0.66666666666667 0.33333333333333 0.56119110939732 15.999 > 97 120 O 0.91666666666667 0.33333333333333 0.56119110939732 15.999 > 97 121 O 0.16666666666667 0.58333333333333 0.56119110939732 15.999 > 97 122 O 0.41666666666667 0.58333333333333 0.56119110939732 15.999 > 97 123 O 0.66666666666667 0.58333333333333 0.56119110939732 15.999 > 97 124 O 0.91666666666667 0.58333333333333 0.56119110939732 15.999 > 97 125 O 0.16666666666667 0.83333333333333 0.56119110939732 15.999 > 97 126 O 0.41666666666667 0.83333333333333 0.56119110939732 15.999 > 97 127 O 0.66666666666667 0.83333333333333 0.56119110939732 15.999 > 97 128 O 0.91666666666667 0.83333333333333 0.56119110939732 15.999 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0954522 0.0000000 0.0000000 -0.0000000 3.0954522 0.0000000 0.0000000 0.0000000 3.1620567 -------------------------- Born effective charges -------------------------- 1 Be 1.7793251 0.0000000 0.0000000 0.0000000 1.7793251 0.0000000 0.0000000 0.0000000 1.8413702 2 Be 1.7793251 0.0000000 0.0000000 0.0000000 1.7793251 0.0000000 0.0000000 0.0000000 1.8413702 3 O -1.7793251 -0.0000000 0.0000000 -0.0000000 -1.7793251 0.0000000 0.0000000 0.0000000 -1.8413702 4 O -1.7793251 -0.0000000 0.0000000 -0.0000000 -1.7793251 0.0000000 0.0000000 0.0000000 -1.8413702 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 21 21 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: 1.37, Number of G-points: 313, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 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 9.690 ( -0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 20.830 ( 0.000 0.000 -0.000) 0.000 20.988 ( -0.000 0.000 0.000) 0.000 20.988 ( 0.000 0.000 0.000) 0.000 21.168 ( 0.000 -0.000 -0.000) 0.000 22.038 ( -0.000 0.000 0.000) 0.000 22.038 ( -0.000 0.000 -0.000) 0.000 26.195 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 58.868 33.987 0.000) 67.975 1.436 ( 60.566 34.968 0.000) 69.935 2.469 ( 103.760 59.906 0.000) 119.812 9.817 ( 10.678 6.165 0.000) 12.330 10.041 ( 29.047 16.770 0.000) 33.540 20.821 ( -0.748 -0.432 0.000) 0.864 20.972 ( -1.280 -0.739 0.000) 1.478 21.076 ( 5.441 3.141 0.000) 6.282 21.145 ( -0.105 -0.060 0.000) 0.121 22.038 ( -0.115 -0.067 0.000) 0.133 26.094 ( -8.530 -4.925 0.000) 9.849 32.417 ( -5.590 -3.228 0.000) 6.455 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 58.597 33.831 0.000) 67.663 2.843 ( 58.646 33.859 0.000) 67.718 4.886 ( 101.078 58.357 0.000) 116.715 10.182 ( 19.922 11.502 0.000) 23.004 10.998 ( 50.687 29.264 0.000) 58.528 20.796 ( -1.396 -0.806 0.000) 1.612 20.937 ( -1.488 -0.859 0.000) 1.718 21.022 ( -5.676 -3.277 0.000) 6.554 21.364 ( 13.697 7.908 0.000) 15.816 22.023 ( -1.404 -0.811 0.000) 1.622 25.805 ( -15.649 -9.035 0.000) 18.070 32.223 ( -10.746 -6.204 0.000) 12.408 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 58.521 33.787 0.000) 67.575 4.187 ( 55.298 31.927 0.000) 63.853 7.215 ( 96.482 55.704 0.000) 111.408 10.735 ( 26.543 15.325 0.000) 30.649 12.352 ( 62.758 36.234 0.000) 72.467 20.756 ( -2.069 -1.195 0.000) 2.390 20.854 ( -8.385 -4.841 0.000) 9.683 20.907 ( -1.002 -0.578 0.000) 1.157 21.709 ( 14.659 8.463 0.000) 16.927 21.966 ( -3.423 -1.976 0.000) 3.953 25.380 ( -19.812 -11.438 0.000) 22.877 31.916 ( -15.209 -8.781 0.000) 17.562 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.435 ( 50.457 29.131 0.000) 58.263 5.504 ( 58.282 33.649 0.000) 67.299 9.417 ( 90.243 52.102 0.000) 104.204 11.406 ( 29.943 17.287 0.000) 34.575 13.892 ( 66.897 38.623 0.000) 77.246 20.601 ( -11.588 -6.690 0.000) 13.380 20.727 ( -1.871 -1.080 0.000) 2.161 20.887 ( -0.854 -0.493 0.000) 0.986 21.866 ( -4.900 -2.829 0.000) 5.659 22.008 ( 9.715 5.609 0.000) 11.218 24.909 ( -19.216 -11.094 0.000) 22.189 31.512 ( -19.062 -11.005 0.000) 22.011 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.553 ( 44.218 25.530 0.000) 51.059 6.870 ( 57.616 33.265 0.000) 66.529 11.454 ( 82.543 47.656 0.000) 95.313 12.121 ( 30.229 17.453 0.000) 34.905 15.458 ( 65.242 37.668 0.000) 75.335 20.281 ( -15.540 -8.972 0.000) 17.944 20.696 ( -0.809 -0.467 0.000) 0.934 20.860 ( -1.496 -0.864 0.000) 1.728 21.746 ( -5.097 -2.943 0.000) 5.886 22.127 ( -0.100 -0.058 0.000) 0.116 24.521 ( -12.872 -7.432 0.000) 14.863 31.020 ( -22.753 -13.136 0.000) 26.272 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.510 ( 36.881 21.293 0.000) 42.587 8.212 ( 56.134 32.409 0.000) 64.818 12.810 ( 27.893 16.104 0.000) 32.208 13.295 ( 73.526 42.450 0.000) 84.900 16.925 ( 58.334 33.679 0.000) 67.358 19.865 ( -19.885 -11.481 0.000) 22.962 20.693 ( 0.721 0.416 0.000) 0.832 20.816 ( -2.207 -1.274 0.000) 2.548 21.632 ( -4.501 -2.599 0.000) 5.198 22.015 ( -8.331 -4.810 0.000) 9.619 24.321 ( -4.237 -2.446 0.000) 4.893 30.437 ( -26.877 -15.517 0.000) 31.035 ======================= Grid point 7 (8/288) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.285 ( 28.884 16.676 0.000) 33.353 9.503 ( 53.150 30.686 0.000) 61.373 13.418 ( 23.432 13.529 0.000) 27.057 14.908 ( 63.270 36.529 0.000) 73.058 18.140 ( 42.610 24.601 0.000) 49.202 19.353 ( -22.755 -13.138 0.000) 26.276 20.736 ( 3.087 1.782 0.000) 3.565 20.764 ( -1.998 -1.153 0.000) 2.307 21.533 ( -3.984 -2.300 0.000) 4.600 21.805 ( -8.053 -4.649 0.000) 9.299 24.312 ( 3.512 2.028 0.000) 4.056 29.748 ( -31.746 -18.329 0.000) 36.657 ======================= Grid point 8 (9/288) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.868 ( 20.643 11.918 0.000) 23.837 10.693 ( 47.297 27.307 0.000) 54.613 13.901 ( 17.378 10.033 0.000) 20.066 16.265 ( 51.699 29.849 0.000) 59.697 18.568 ( -16.834 -9.719 0.000) 19.438 19.097 ( 11.024 6.365 0.000) 12.730 20.728 ( -1.012 -0.584 0.000) 1.169 20.847 ( 6.469 3.735 0.000) 7.469 21.444 ( -3.502 -2.022 0.000) 4.044 21.682 ( -2.358 -1.361 0.000) 2.722 24.515 ( 14.765 8.525 0.000) 17.049 28.938 ( -37.006 -21.366 0.000) 42.731 ======================= Grid point 9 (10/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.257 ( 12.382 7.149 0.000) 14.297 11.686 ( 35.709 20.616 0.000) 41.233 14.230 ( 10.481 6.051 0.000) 12.103 17.325 ( 37.542 21.675 0.000) 43.350 18.022 ( -22.588 -13.041 0.000) 26.082 19.259 ( -0.677 -0.391 0.000) 0.782 20.715 ( -0.144 -0.083 0.000) 0.167 21.038 ( 9.503 5.486 0.000) 10.973 21.372 ( -2.532 -1.462 0.000) 2.923 21.643 ( -2.553 -1.474 0.000) 2.948 25.044 ( 30.127 17.394 0.000) 34.787 28.011 ( -41.394 -23.899 0.000) 47.797 ======================= Grid point 10 (11/288) ======================= q-point: ( 0.48 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.451 ( 4.129 2.384 0.000) 4.768 12.296 ( 14.187 8.191 0.000) 16.382 14.394 ( 3.467 2.001 0.000) 4.003 17.574 ( -9.386 -5.419 0.000) 10.838 18.044 ( 17.208 9.935 0.000) 19.871 19.136 ( -6.456 -3.727 0.000) 7.455 20.716 ( 0.071 0.041 0.000) 0.082 21.275 ( 9.805 5.661 0.000) 11.322 21.330 ( -0.935 -0.540 0.000) 1.079 21.523 ( -7.264 -4.194 0.000) 8.388 25.872 ( 36.827 21.262 0.000) 42.524 27.028 ( -39.584 -22.854 0.000) 45.708 ======================= Grid point 22 (12/288) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 33.837 58.607 0.000) 67.674 2.507 ( 35.755 61.930 0.000) 71.511 4.223 ( 57.971 100.408 0.000) 115.942 10.097 ( 11.278 19.533 0.000) 22.555 10.658 ( 25.334 43.880 0.000) 50.669 20.803 ( -0.785 -1.360 0.000) 1.570 20.978 ( -0.182 -0.315 0.000) 0.364 21.050 ( -2.705 -4.684 0.000) 5.409 21.238 ( 5.504 9.533 0.000) 11.007 22.054 ( 0.750 1.299 0.000) 1.500 25.900 ( -7.990 -13.839 0.000) 15.980 32.283 ( -5.648 -9.783 0.000) 11.296 ======================= Grid point 23 (13/288) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 44.265 51.040 0.000) 67.561 3.809 ( 41.073 57.204 0.000) 70.422 6.349 ( 75.377 81.007 0.000) 110.652 10.586 ( 16.860 26.858 0.000) 31.711 11.776 ( 46.840 46.594 0.000) 66.069 20.768 ( -1.247 -1.795 0.000) 2.185 20.914 ( -5.656 -6.638 0.000) 8.720 20.958 ( -2.473 1.332 0.000) 2.808 21.486 ( 12.582 4.753 0.000) 13.449 22.079 ( -1.994 5.860 0.000) 6.190 25.545 ( -14.284 -16.052 0.000) 21.487 32.023 ( -10.256 -13.321 0.000) 16.812 ======================= Grid point 24 (14/288) ======================= q-point: ( 0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.961 ( 48.630 46.625 0.000) 67.371 5.089 ( 38.821 54.348 0.000) 66.789 8.485 ( 80.311 66.588 0.000) 104.326 11.222 ( 20.704 31.706 0.000) 37.867 13.191 ( 58.529 45.408 0.000) 74.078 20.698 ( -7.614 -7.176 0.000) 10.462 20.736 ( -2.163 -3.650 0.000) 4.243 20.934 ( -2.558 2.503 0.000) 3.579 21.707 ( 9.699 -3.448 0.000) 10.293 22.121 ( -2.703 11.791 0.000) 12.097 25.096 ( -17.065 -15.911 0.000) 23.332 31.656 ( -13.877 -16.745 0.000) 21.748 ======================= Grid point 25 (15/288) ======================= q-point: ( 0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.269 ( 34.206 50.960 0.000) 61.376 6.301 ( 50.045 44.018 0.000) 66.650 10.518 ( 79.467 54.370 0.000) 96.287 11.941 ( 21.805 34.905 0.000) 41.156 14.717 ( 62.689 41.583 0.000) 75.227 20.421 ( -11.961 -10.979 0.000) 16.236 20.697 ( -0.621 -1.575 0.000) 1.693 20.914 ( -2.907 2.859 0.000) 4.078 21.745 ( 0.784 -5.089 0.000) 5.149 22.200 ( -2.565 8.892 0.000) 9.255 24.660 ( -14.393 -13.010 0.000) 19.402 31.196 ( -16.923 -19.963 0.000) 26.171 ======================= Grid point 26 (16/288) ======================= q-point: ( 0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.309 ( 26.688 47.660 0.000) 54.624 7.635 ( 51.209 41.171 0.000) 65.707 12.346 ( 67.099 37.897 0.000) 77.061 12.721 ( 28.129 42.072 0.000) 50.609 16.213 ( 60.966 35.783 0.000) 70.691 20.051 ( -15.841 -13.597 0.000) 20.876 20.682 ( 0.378 -0.551 0.000) 0.669 20.885 ( -3.969 3.147 0.000) 5.065 21.677 ( -3.033 -2.958 0.000) 4.237 22.156 ( -8.930 1.966 0.000) 9.144 24.359 ( -6.697 -8.447 0.000) 10.780 30.650 ( -20.101 -23.076 0.000) 30.604 ======================= Grid point 27 (17/288) ======================= q-point: ( 0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.177 ( 18.844 43.381 0.000) 47.297 8.940 ( 50.185 38.590 0.000) 63.307 13.280 ( 19.344 30.064 0.000) 35.750 14.144 ( 64.949 39.986 0.000) 76.270 17.552 ( 52.451 27.198 0.000) 59.084 19.582 ( -19.900 -16.124 0.000) 25.612 20.704 ( 2.070 0.801 0.000) 2.220 20.841 ( -4.750 3.822 0.000) 6.096 21.593 ( -3.818 -1.175 0.000) 3.994 21.957 ( -12.515 -0.933 0.000) 12.550 24.249 ( 1.598 -4.761 0.000) 5.022 30.010 ( -24.061 -26.223 0.000) 35.589 ======================= Grid point 28 (18/288) ======================= q-point: ( 0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.856 ( 10.627 38.711 0.000) 40.143 10.178 ( 46.790 35.273 0.000) 58.596 13.851 ( 11.492 28.751 0.000) 30.962 15.597 ( 57.911 30.671 0.000) 65.532 18.497 ( 24.702 8.092 0.000) 25.994 19.079 ( -13.366 -11.643 0.000) 17.725 20.772 ( 2.947 1.875 0.000) 3.493 20.809 ( -2.719 5.460 0.000) 6.100 21.525 ( -3.962 1.522 0.000) 4.245 21.752 ( -8.526 -0.641 0.000) 8.550 24.325 ( 10.998 -0.750 0.000) 11.024 29.260 ( -28.907 -29.362 0.000) 41.203 ======================= Grid point 29 (19/288) ======================= q-point: ( 0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.341 ( 2.376 33.893 0.000) 33.977 11.281 ( 39.089 30.077 0.000) 49.321 14.268 ( 4.114 25.723 0.000) 26.050 16.798 ( 46.967 22.313 0.000) 51.998 18.260 ( -21.801 -18.414 0.000) 28.537 19.181 ( 9.276 0.338 0.000) 9.283 20.777 ( -3.312 5.027 0.000) 6.020 20.934 ( 7.714 4.882 0.000) 9.129 21.470 ( -6.013 4.365 0.000) 7.431 21.659 ( -1.943 -1.267 0.000) 2.320 24.668 ( 25.716 6.487 0.000) 26.522 28.390 ( -33.894 -32.113 0.000) 46.691 ======================= Grid point 30 (20/288) ======================= q-point: ( 0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.632 ( -5.823 29.067 0.000) 29.644 12.111 ( 23.200 20.770 0.000) 31.138 14.518 ( -3.296 21.961 0.000) 22.206 17.620 ( 10.616 0.013 0.000) 10.616 17.800 ( 5.737 -1.160 0.000) 5.853 19.170 ( -3.835 -7.918 0.000) 8.798 20.775 ( -3.153 5.585 0.000) 6.414 21.148 ( 10.194 5.101 0.000) 11.399 21.413 ( -5.546 5.295 0.000) 7.667 21.587 ( -4.543 -3.876 0.000) 5.972 25.363 ( 39.733 13.603 0.000) 41.998 27.423 ( -36.911 -33.470 0.000) 49.826 ======================= Grid point 31 (21/288) ======================= q-point: ( 0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.729 ( -14.023 24.288 0.000) 28.046 12.438 ( -3.244 5.620 0.000) 6.489 14.600 ( -10.375 17.970 0.000) 20.750 17.471 ( 2.570 -4.452 0.000) 5.140 18.122 ( 1.746 -3.024 0.000) 3.492 19.040 ( 2.802 -4.853 0.000) 5.603 20.776 ( -3.220 5.577 0.000) 6.440 21.335 ( 1.129 -1.956 0.000) 2.258 21.392 ( -3.654 6.328 0.000) 7.307 21.456 ( -0.025 0.043 0.000) 0.049 26.108 ( 3.837 -6.645 0.000) 7.673 26.609 ( 5.551 -9.614 0.000) 11.102 ======================= Grid point 45 (22/288) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.765 ( 33.672 58.322 0.000) 67.344 5.052 ( 36.179 62.664 0.000) 72.358 8.085 ( 50.573 87.596 0.000) 101.147 11.226 ( 20.225 35.031 0.000) 40.450 12.875 ( 34.786 60.252 0.000) 69.573 20.728 ( -1.164 -2.016 0.000) 2.328 20.737 ( -6.049 -10.477 0.000) 12.098 20.982 ( 0.406 0.703 0.000) 0.811 21.587 ( 2.865 4.962 0.000) 5.730 22.216 ( 3.880 6.720 0.000) 7.760 25.169 ( -11.675 -20.222 0.000) 23.350 31.688 ( -11.191 -19.383 0.000) 22.382 ======================= Grid point 46 (23/288) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.991 ( 39.981 53.663 0.000) 66.919 6.308 ( 32.366 63.081 0.000) 70.900 9.874 ( 60.725 68.847 0.000) 91.801 11.986 ( 20.625 42.150 0.000) 46.925 14.187 ( 47.659 51.806 0.000) 70.393 20.485 ( -9.090 -12.671 0.000) 15.594 20.691 ( -0.757 -1.660 0.000) 1.824 20.991 ( -1.338 2.879 0.000) 3.175 21.665 ( 3.005 -0.758 0.000) 3.099 22.327 ( -0.315 7.610 0.000) 7.617 24.750 ( -12.980 -17.479 0.000) 21.772 31.241 ( -14.319 -23.582 0.000) 27.589 ======================= Grid point 47 (24/288) ======================= q-point: ( 0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.258 ( 43.351 49.824 0.000) 66.044 7.457 ( 24.396 62.996 0.000) 67.555 11.599 ( 63.971 51.315 0.000) 82.010 12.799 ( 19.311 48.042 0.000) 51.778 15.571 ( 53.810 41.885 0.000) 68.190 20.153 ( -12.517 -15.301 0.000) 19.768 20.671 ( 0.024 -0.803 0.000) 0.803 20.993 ( -2.855 4.727 0.000) 5.522 21.673 ( -0.078 -2.315 0.000) 2.316 22.334 ( -6.228 4.149 0.000) 7.483 24.390 ( -9.197 -13.145 0.000) 16.043 30.706 ( -16.618 -27.781 0.000) 32.372 ======================= Grid point 48 (25/288) ======================= q-point: ( 0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.436 ( 15.780 60.886 0.000) 62.897 8.533 ( 43.912 46.912 0.000) 64.257 13.093 ( 48.909 36.964 0.000) 61.306 13.697 ( 29.464 50.931 0.000) 58.840 16.899 ( 53.048 31.078 0.000) 61.481 19.727 ( -16.401 -18.127 0.000) 24.446 20.680 ( 1.297 0.305 0.000) 1.332 20.985 ( -4.591 6.574 0.000) 8.019 21.628 ( -2.099 -2.178 0.000) 3.025 22.195 ( -12.228 1.903 0.000) 12.375 24.175 ( -1.968 -9.690 0.000) 9.888 30.087 ( -19.123 -31.796 0.000) 37.104 ======================= Grid point 49 (26/288) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.230 ( 5.430 58.445 0.000) 58.697 9.773 ( 43.834 42.811 0.000) 61.272 14.006 ( 15.519 39.867 0.000) 42.782 14.921 ( 52.423 36.701 0.000) 63.993 18.009 ( 41.696 16.817 0.000) 44.959 19.218 ( -18.317 -19.071 0.000) 26.443 20.726 ( 3.089 1.330 0.000) 3.363 20.970 ( -5.609 8.614 0.000) 10.280 21.573 ( -1.640 -1.154 0.000) 2.005 21.980 ( -13.944 3.181 0.000) 14.303 24.124 ( 6.479 -7.427 0.000) 9.856 29.377 ( -22.571 -35.510 0.000) 42.076 ======================= Grid point 50 (27/288) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.821 ( -3.769 54.564 0.000) 54.694 10.931 ( 39.636 38.368 0.000) 55.165 14.568 ( 2.392 40.649 0.000) 40.720 16.158 ( 50.648 24.551 0.000) 56.285 18.376 ( -9.969 -17.705 0.000) 20.319 18.973 ( 11.601 -0.734 0.000) 11.624 20.815 ( 4.618 2.235 0.000) 5.130 20.974 ( -4.406 10.270 0.000) 11.176 21.560 ( 0.319 0.763 0.000) 0.827 21.791 ( -11.860 4.882 0.000) 12.825 24.285 ( 19.148 -2.904 0.000) 19.367 28.562 ( -26.902 -38.688 0.000) 47.122 ======================= Grid point 51 (28/288) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.211 ( -12.460 50.158 0.000) 51.683 11.912 ( 29.203 31.578 0.000) 43.011 14.928 ( -7.044 38.234 0.000) 38.877 17.173 ( 40.174 14.202 0.000) 42.611 17.856 ( -17.059 -20.375 0.000) 26.573 19.104 ( 2.619 -7.553 0.000) 7.994 20.899 ( -0.760 5.802 0.000) 5.852 21.056 ( 4.137 7.390 0.000) 8.469 21.566 ( -1.670 0.794 0.000) 1.849 21.660 ( -9.089 5.118 0.000) 10.431 24.779 ( 35.888 4.345 0.000) 36.150 27.642 ( -30.992 -40.822 0.000) 51.253 ======================= Grid point 52 (29/288) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.405 ( -20.811 45.528 0.000) 50.059 12.524 ( 7.915 19.548 0.000) 21.090 15.102 ( -15.087 34.388 0.000) 37.552 17.392 ( -3.943 -14.004 0.000) 14.549 17.916 ( 21.191 4.048 0.000) 21.574 18.961 ( -3.265 -11.612 0.000) 12.063 20.921 ( -4.209 8.072 0.000) 9.103 21.229 ( 7.897 1.941 0.000) 8.132 21.497 ( -4.389 -2.846 0.000) 5.231 21.581 ( -7.720 9.725 0.000) 12.417 25.587 ( 44.841 8.120 0.000) 45.570 26.665 ( -30.388 -40.153 0.000) 50.356 ======================= Grid point 67 (30/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.127 ( 33.080 57.296 0.000) 66.160 7.591 ( 35.438 61.380 0.000) 70.876 11.270 ( 39.030 67.602 0.000) 78.060 12.898 ( 26.743 46.320 0.000) 53.486 15.284 ( 31.892 55.238 0.000) 63.784 20.185 ( -9.716 -16.828 0.000) 19.431 20.667 ( -0.394 -0.683 0.000) 0.788 21.049 ( 1.612 2.791 0.000) 3.223 21.657 ( -0.318 -0.550 0.000) 0.635 22.417 ( 0.577 0.999 0.000) 1.154 24.407 ( -9.018 -15.620 0.000) 18.036 30.705 ( -16.594 -28.741 0.000) 33.187 ======================= Grid point 68 (31/288) ======================= q-point: ( 0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.313 ( 37.005 53.320 0.000) 64.903 8.770 ( 24.699 64.268 0.000) 68.850 12.616 ( 45.666 48.692 0.000) 66.755 13.845 ( 22.455 53.091 0.000) 57.644 16.412 ( 39.719 40.229 0.000) 56.533 19.796 ( -13.303 -19.749 0.000) 23.812 20.666 ( 0.570 0.281 0.000) 0.635 21.103 ( -0.585 5.893 0.000) 5.922 21.630 ( -1.126 -2.270 0.000) 2.534 22.372 ( -5.672 -0.212 0.000) 5.676 24.132 ( -5.790 -12.016 0.000) 13.338 30.077 ( -18.478 -33.579 0.000) 38.328 ======================= Grid point 69 (32/288) ======================= q-point: ( 0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.508 ( 38.391 49.536 0.000) 62.671 9.756 ( 11.550 65.832 0.000) 66.838 13.845 ( 43.199 36.162 0.000) 56.337 14.767 ( 20.575 53.826 0.000) 57.625 17.462 ( 40.449 23.466 0.000) 46.763 19.317 ( -16.392 -21.868 0.000) 27.330 20.694 ( 1.893 1.137 0.000) 2.208 21.147 ( -3.096 9.037 0.000) 9.553 21.578 ( -1.483 -2.744 0.000) 3.119 22.234 ( -10.140 1.853 0.000) 10.308 23.967 ( 0.405 -10.520 0.000) 10.528 29.369 ( -20.238 -38.244 0.000) 43.269 ======================= Grid point 70 (33/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.501 ( -0.410 64.501 0.000) 64.502 10.679 ( 36.365 46.175 0.000) 58.775 14.824 ( 23.776 37.699 0.000) 44.571 15.692 ( 29.848 40.721 0.000) 50.489 18.179 ( 19.050 -2.603 0.000) 19.227 18.856 ( -6.906 -14.091 0.000) 15.692 20.757 ( 3.653 1.731 0.000) 4.043 21.179 ( -4.975 11.445 0.000) 12.479 21.541 ( 0.347 -1.927 0.000) 1.958 22.073 ( -11.853 5.373 0.000) 13.014 23.956 ( 10.664 -8.607 0.000) 13.704 28.579 ( -22.782 -42.301 0.000) 48.046 ======================= Grid point 71 (34/288) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.029 ( -12.738 62.623 0.000) 63.905 11.736 ( 31.827 40.395 0.000) 51.427 15.452 ( 0.917 44.024 0.000) 44.034 16.621 ( 37.419 21.715 0.000) 43.264 17.923 ( -15.744 -24.728 0.000) 29.314 18.921 ( 10.197 -5.489 0.000) 11.580 20.860 ( 5.702 2.172 0.000) 6.102 21.203 ( -5.587 11.275 0.000) 12.583 21.545 ( 1.426 -1.701 0.000) 2.220 21.936 ( -11.455 8.380 0.000) 14.193 24.218 ( 27.074 -3.338 0.000) 27.279 27.701 ( -26.024 -45.253 0.000) 52.203 ======================= Grid point 72 (35/288) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.336 ( -22.530 58.859 0.000) 63.024 12.562 ( 17.356 32.023 0.000) 36.424 15.777 ( -13.961 43.131 0.000) 45.335 17.262 ( 8.078 -12.346 0.000) 14.754 17.567 ( 13.417 -0.557 0.000) 13.428 18.894 ( -1.911 -12.105 0.000) 12.255 20.992 ( 5.346 3.433 0.000) 6.354 21.207 ( -3.622 5.327 0.000) 6.442 21.531 ( -1.658 -0.588 0.000) 1.760 21.845 ( -9.660 10.578 0.000) 14.325 24.846 ( 43.319 2.259 0.000) 43.377 26.747 ( -28.536 -46.406 0.000) 54.478 ======================= Grid point 73 (36/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.436 ( -31.341 54.285 0.000) 62.683 12.899 ( -9.835 17.034 0.000) 19.669 15.866 ( -22.201 38.453 0.000) 44.402 17.125 ( 6.577 -11.391 0.000) 13.153 17.871 ( 5.440 -9.422 0.000) 10.880 18.755 ( 4.032 -6.984 0.000) 8.064 21.076 ( -3.468 6.007 0.000) 6.937 21.192 ( 2.618 -4.535 0.000) 5.236 21.504 ( -2.202 3.814 0.000) 4.404 21.813 ( -7.080 12.263 0.000) 14.160 25.627 ( 8.972 -15.540 0.000) 17.944 25.877 ( 14.386 -24.917 0.000) 28.772 ======================= Grid point 90 (37/288) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.419 ( 31.625 54.777 0.000) 63.251 10.023 ( 33.133 57.388 0.000) 66.266 13.595 ( 27.407 47.470 0.000) 54.814 14.915 ( 29.324 50.791 0.000) 58.648 17.193 ( 20.622 35.718 0.000) 41.243 19.350 ( -13.695 -23.721 0.000) 27.390 20.683 ( 0.840 1.455 0.000) 1.680 21.227 ( 3.489 6.043 0.000) 6.978 21.576 ( -1.727 -2.991 0.000) 3.453 22.337 ( -1.668 -2.890 0.000) 3.337 23.908 ( -5.555 -9.621 0.000) 11.109 29.347 ( -21.798 -37.754 0.000) 43.595 ======================= Grid point 91 (38/288) ======================= q-point: ( 0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.534 ( 33.205 50.810 0.000) 60.697 11.074 ( 16.205 62.101 0.000) 64.180 14.554 ( 34.313 33.462 0.000) 47.927 15.877 ( 17.903 54.233 0.000) 57.112 17.815 ( 20.370 9.351 0.000) 22.414 18.863 ( -12.904 -21.168 0.000) 24.791 20.726 ( 2.027 1.940 0.000) 2.806 21.341 ( 0.095 9.686 0.000) 9.687 21.519 ( -0.856 -2.865 0.000) 2.991 22.264 ( -5.224 0.955 0.000) 5.311 23.761 ( 0.635 -9.002 0.000) 9.025 28.542 ( -22.960 -42.553 0.000) 48.352 ======================= Grid point 92 (39/288) ======================= q-point: ( 0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.606 ( 30.685 46.992 0.000) 56.123 11.852 ( -0.821 64.326 0.000) 64.331 15.472 ( 34.361 25.901 0.000) 43.029 16.622 ( 5.798 49.181 0.000) 49.522 17.875 ( -6.049 -23.807 0.000) 24.564 18.673 ( 8.600 -6.658 0.000) 10.876 20.796 ( 3.725 2.077 0.000) 4.265 21.402 ( -4.395 7.511 0.000) 8.702 21.509 ( 1.517 1.139 0.000) 1.897 22.180 ( -7.436 4.811 0.000) 8.857 23.796 ( 13.848 -6.424 0.000) 15.265 27.670 ( -24.362 -46.421 0.000) 52.425 ======================= Grid point 93 (40/288) ======================= q-point: ( 0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.324 ( -15.267 62.866 0.000) 64.693 12.577 ( 22.388 42.343 0.000) 47.898 16.237 ( 17.181 29.666 0.000) 34.282 16.997 ( 0.855 3.278 0.000) 3.388 17.517 ( -6.537 -1.711 0.000) 6.757 18.751 ( 5.963 -10.124 0.000) 11.750 20.902 ( 5.953 1.873 0.000) 6.241 21.341 ( -5.671 -0.802 0.000) 5.727 21.573 ( -0.429 7.293 0.000) 7.305 22.105 ( -8.202 7.804 0.000) 11.321 24.161 ( 32.565 -2.079 0.000) 32.632 26.739 ( -26.011 -48.410 0.000) 54.955 ======================= Grid point 94 (41/288) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.562 ( -28.185 60.154 0.000) 66.429 13.210 ( 2.759 31.315 0.000) 31.436 16.493 ( -10.813 12.365 0.000) 16.426 16.980 ( 4.467 1.692 0.000) 4.776 17.609 ( 8.518 -2.165 0.000) 8.789 18.690 ( -1.942 -4.113 0.000) 4.548 21.041 ( 7.675 1.194 0.000) 7.767 21.206 ( -6.118 -4.032 0.000) 7.327 21.621 ( -3.342 8.288 0.000) 8.936 22.057 ( -7.165 9.827 0.000) 12.161 24.871 ( 47.331 0.202 0.000) 47.331 25.780 ( -26.555 -47.331 0.000) 54.271 ======================= Grid point 112 (42/288) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.568 ( 28.985 50.204 0.000) 57.971 12.236 ( 29.258 50.676 0.000) 58.516 15.227 ( 19.147 33.164 0.000) 38.294 16.932 ( 27.395 47.450 0.000) 54.790 17.738 ( -10.108 -17.507 0.000) 20.216 18.556 ( -4.390 -7.604 0.000) 8.780 20.774 ( 1.627 2.818 0.000) 3.254 21.459 ( -1.798 -3.113 0.000) 3.595 21.529 ( 4.810 8.332 0.000) 9.620 22.272 ( -0.085 -0.146 0.000) 0.169 23.636 ( -1.246 -2.158 0.000) 2.492 27.644 ( -26.145 -45.285 0.000) 52.290 ======================= Grid point 113 (43/288) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.560 ( 26.696 46.400 0.000) 53.531 13.101 ( 6.014 56.758 0.000) 57.076 15.927 ( 29.465 20.150 0.000) 35.696 17.169 ( -20.412 -24.585 0.000) 31.954 17.767 ( 5.048 41.088 0.000) 41.397 18.485 ( 8.445 -12.321 0.000) 14.938 20.843 ( 3.140 2.484 0.000) 4.004 21.374 ( -3.133 -5.309 0.000) 6.164 21.677 ( 1.091 10.048 0.000) 10.107 22.262 ( -2.715 3.157 0.000) 4.164 23.724 ( 13.708 0.084 0.000) 13.708 26.704 ( -26.218 -47.795 0.000) 54.514 ======================= Grid point 114 (44/288) ======================= q-point: ( 0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.396 ( 13.126 42.612 0.000) 44.588 13.610 ( -13.123 57.297 0.000) 58.780 16.538 ( -11.451 -26.565 0.000) 28.927 16.675 ( 32.077 7.790 0.000) 33.010 17.831 ( -20.539 5.186 0.000) 21.184 18.699 ( 8.099 15.091 0.000) 17.127 20.937 ( 5.135 1.594 0.000) 5.376 21.243 ( -4.393 -6.469 0.000) 7.820 21.771 ( -2.159 10.088 0.000) 10.317 22.242 ( -4.328 5.507 0.000) 7.004 24.139 ( 32.786 0.079 0.000) 32.786 25.759 ( -25.586 -46.665 0.000) 53.219 ======================= Grid point 115 (45/288) ======================= q-point: ( 0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.710 ( -26.537 45.964 0.000) 53.075 13.847 ( -20.342 35.233 0.000) 40.684 16.221 ( 12.507 -21.663 0.000) 25.014 17.344 ( -5.633 9.756 0.000) 11.265 17.354 ( 8.672 -15.020 0.000) 17.344 18.864 ( -11.399 19.744 0.000) 22.799 21.025 ( 1.619 -2.805 0.000) 3.239 21.135 ( 1.048 -1.816 0.000) 2.097 21.804 ( -5.095 8.824 0.000) 10.189 22.231 ( -3.957 6.853 0.000) 7.913 24.764 ( 14.858 -25.734 0.000) 29.715 24.962 ( 9.186 -15.910 0.000) 18.372 ======================= Grid point 135 (46/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 726 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.482 ( 24.966 43.243 0.000) 49.932 14.102 ( 22.854 39.584 0.000) 45.708 16.349 ( 13.002 22.520 0.000) 26.004 16.501 ( -20.347 -35.242 0.000) 40.694 18.075 ( -12.199 -21.129 0.000) 24.398 18.702 ( 21.427 37.112 0.000) 42.853 20.900 ( 1.819 3.151 0.000) 3.638 21.246 ( -3.964 -6.866 0.000) 7.929 21.854 ( 4.035 6.989 0.000) 8.070 22.309 ( 0.870 1.507 0.000) 1.741 23.828 ( 6.182 10.708 0.000) 12.365 25.745 ( -26.265 -45.493 0.000) 52.530 ======================= Grid point 136 (47/288) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 14.245 ( 7.201 40.932 0.000) 41.561 14.656 ( -8.096 42.070 0.000) 42.842 15.842 ( -7.088 -36.740 0.000) 37.418 16.871 ( 26.671 8.723 0.000) 28.062 17.549 ( -18.511 -23.469 0.000) 29.890 19.264 ( 1.005 28.429 0.000) 28.446 20.970 ( 2.936 1.818 0.000) 3.453 21.115 ( -2.678 -5.673 0.000) 6.273 21.953 ( -1.288 7.284 0.000) 7.397 22.327 ( -1.206 2.733 0.000) 2.987 24.174 ( 23.636 3.947 0.000) 23.964 24.895 ( -20.246 -36.085 0.000) 41.377 ======================= Grid point 157 (48/288) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 15.064 ( -19.589 -33.930 0.000) 39.179 15.064 ( 19.589 33.930 0.000) 39.179 15.138 ( -0.000 -0.000 0.000) 0.000 17.105 ( -8.343 -14.450 0.000) 16.686 17.105 ( 8.343 14.450 0.000) 16.686 19.586 ( -0.000 -0.000 0.000) 0.000 21.021 ( -1.727 -2.992 0.000) 3.454 21.021 ( 1.727 2.992 0.000) 3.454 22.036 ( -0.000 -0.000 0.000) 0.000 22.354 ( -0.000 -0.000 0.000) 0.000 24.357 ( -8.088 -14.009 0.000) 16.176 24.357 ( 8.088 14.009 0.000) 16.176 ======================= Grid point 463 (49/288) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 -0.000 66.786) 66.786 1.397 ( 0.000 -0.000 66.786) 66.786 2.615 ( 0.000 -0.000 125.345) 125.345 9.594 ( -0.000 0.000 -9.274) 9.274 9.594 ( 0.000 -0.000 -9.274) 9.274 20.740 ( 0.000 0.000 -39.003) 39.003 21.012 ( -0.000 0.000 2.248) 2.248 21.012 ( 0.000 0.000 2.248) 2.248 22.019 ( 0.000 0.000 -1.846) 1.846 22.019 ( -0.000 0.000 -1.846) 1.846 26.499 ( 0.000 0.000 27.041) 27.041 32.037 ( -0.000 0.000 -6.867) 6.867 ======================= Grid point 464 (50/288) ======================= q-point: ( 0.05 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 43.549 25.143 46.727) 68.645 2.246 ( 39.595 22.860 63.553) 78.290 3.326 ( 70.122 40.485 79.243) 113.294 9.722 ( 10.780 6.224 -9.152) 15.450 9.940 ( 28.863 16.664 -9.418) 34.634 20.696 ( -3.550 -2.050 -39.003) 39.218 20.995 ( -1.274 -0.736 2.260) 2.697 21.096 ( 5.917 3.416 2.293) 7.207 21.461 ( -22.938 -13.243 27.748) 38.360 22.019 ( -0.127 -0.073 -1.864) 1.869 26.406 ( -7.721 -4.458 27.829) 29.222 32.160 ( 2.410 1.392 -15.921) 16.163 ======================= Grid point 465 (51/288) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 52.799 30.483 29.961) 67.931 3.249 ( 47.490 27.418 48.199) 73.008 5.347 ( 92.659 53.497 41.827) 114.878 10.089 ( 20.067 11.585 -8.861) 24.807 10.895 ( 50.650 29.243 -9.691) 59.284 20.578 ( -6.459 -3.729 -39.865) 40.557 20.960 ( -1.500 -0.866 2.261) 2.848 21.039 ( -7.841 -4.527 16.894) 19.167 21.402 ( 11.639 6.720 4.276) 14.103 22.003 ( -1.397 -0.806 -1.876) 2.474 26.146 ( -14.041 -8.107 30.187) 34.266 32.083 ( -7.904 -4.563 -12.178) 15.219 ======================= Grid point 466 (52/288) ======================= q-point: ( 0.14 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 52.638 30.390 22.041) 64.654 4.442 ( 52.813 30.491 31.272) 68.534 7.543 ( 92.693 53.516 30.061) 111.174 10.646 ( 26.677 15.402 -8.538) 31.966 12.248 ( 62.658 36.176 -9.904) 73.026 20.392 ( -9.306 -5.373 -40.775) 42.167 20.897 ( -4.554 -2.630 11.521) 12.665 20.930 ( -1.048 -0.605 2.196) 2.507 21.713 ( 13.370 7.719 0.540) 15.448 21.947 ( -3.377 -1.950 -1.816) 4.301 25.767 ( -17.581 -10.151 33.906) 39.519 31.822 ( -13.778 -7.954 -8.756) 18.159 ======================= Grid point 467 (53/288) ======================= q-point: ( 0.19 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.626 ( 49.045 28.316 17.938) 59.406 5.709 ( 54.430 31.425 20.591) 66.138 9.679 ( 88.206 50.926 24.222) 104.692 11.320 ( 30.057 17.353 -8.253) 35.674 13.782 ( 66.486 38.386 -10.518) 77.488 20.141 ( -12.024 -6.942 -40.994) 43.281 20.809 ( -3.062 -1.768 7.873) 8.631 20.908 ( -0.923 -0.533 2.060) 2.320 21.848 ( -4.831 -2.789 -1.679) 5.826 21.984 ( 8.798 5.080 -1.844) 10.325 25.349 ( -17.156 -9.905 38.093) 42.937 31.446 ( -18.070 -10.433 -6.337) 21.806 ======================= Grid point 468 (54/288) ======================= q-point: ( 0.24 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.718 ( 43.403 25.059 15.618) 52.495 6.994 ( 54.485 31.457 12.665) 64.176 11.680 ( 81.388 46.989 20.932) 96.281 12.037 ( 30.326 17.509 -8.009) 35.922 15.329 ( 63.842 36.859 -12.549) 74.779 19.830 ( -14.145 -8.167 -39.068) 42.345 20.751 ( -1.833 -1.059 5.427) 5.826 20.880 ( -1.562 -0.902 1.902) 2.621 21.730 ( -5.032 -2.905 -1.523) 6.007 22.097 ( 0.491 0.283 -2.656) 2.716 24.991 ( -12.736 -7.353 40.498) 43.085 30.974 ( -21.950 -12.673 -4.410) 25.726 ======================= Grid point 469 (55/288) ======================= q-point: ( 0.29 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.660 ( 36.390 21.010 14.235) 44.365 8.266 ( 53.353 30.804 5.964) 61.895 12.728 ( 27.964 16.145 -7.814) 33.222 13.499 ( 72.831 42.049 18.996) 86.217 16.729 ( 53.128 30.673 -19.478) 64.365 19.497 ( -13.104 -7.566 -30.458) 34.009 20.727 ( -0.166 -0.096 3.407) 3.413 20.834 ( -2.258 -1.304 1.769) 3.151 21.618 ( -4.448 -2.568 -1.391) 5.321 22.015 ( -6.815 -3.935 -0.944) 7.926 24.763 ( -6.540 -3.776 38.819) 39.547 30.409 ( -26.154 -15.100 -2.738) 30.324 ======================= Grid point 470 (56/288) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.426 ( 28.583 16.503 13.389) 35.617 9.495 ( 50.647 29.241 -0.016) 58.482 13.338 ( 23.467 13.548 -7.694) 28.168 15.097 ( 62.535 36.104 17.466) 74.291 17.670 ( 21.705 12.531 -41.864) 48.793 19.329 ( 2.749 1.587 -2.432) 3.998 20.750 ( 2.310 1.334 1.534) 3.077 20.781 ( -2.040 -1.178 1.666) 2.886 21.519 ( -3.929 -2.268 -1.272) 4.711 21.822 ( -8.447 -4.877 0.521) 9.767 24.686 ( 0.271 0.157 33.750) 33.752 29.737 ( -31.000 -17.898 -1.121) 35.814 ======================= Grid point 471 (57/288) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.004 ( 20.460 11.813 12.869) 26.903 10.630 ( 45.193 26.092 -5.248) 52.447 13.821 ( 17.385 10.037 -7.650) 21.483 16.419 ( 48.568 28.041 12.807) 57.526 17.717 ( -11.236 -6.487 -54.196) 55.728 19.608 ( 14.307 8.260 24.108) 29.226 20.744 ( -1.052 -0.607 1.574) 1.988 20.845 ( 5.917 3.416 -0.115) 6.834 21.432 ( -3.443 -1.988 -1.143) 4.136 21.664 ( -4.438 -2.562 -1.716) 5.404 24.807 ( 11.052 6.381 26.901) 29.774 28.947 ( -36.112 -20.849 0.686) 41.704 ======================= Grid point 472 (58/288) ======================= q-point: ( 0.43 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.389 ( 12.279 7.089 12.560) 18.942 11.581 ( 34.308 19.808 -9.275) 40.687 14.150 ( 10.481 6.051 -7.643) 14.314 17.068 ( -5.329 -3.077 -45.572) 45.985 17.683 ( 22.868 13.203 4.958) 26.867 19.787 ( 0.449 0.259 33.641) 33.645 20.731 ( -0.176 -0.102 1.490) 1.503 21.025 ( 9.035 5.217 -1.280) 10.511 21.361 ( -2.485 -1.435 -1.019) 3.045 21.592 ( -3.007 -1.736 -4.475) 5.664 25.246 ( 26.353 15.215 18.859) 35.800 28.044 ( -40.189 -23.203 3.001) 46.503 ======================= Grid point 473 (59/288) ======================= q-point: ( 0.48 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.582 ( 4.095 2.364 12.412) 13.282 12.169 ( 13.738 7.931 -11.403) 19.536 14.314 ( 3.467 2.002 -7.642) 8.627 16.805 ( -8.284 -4.783 -56.675) 57.476 18.224 ( 14.647 8.456 15.377) 22.858 19.714 ( -3.877 -2.238 39.580) 39.833 20.731 ( 0.059 0.034 1.437) 1.438 21.253 ( 9.852 5.688 -2.297) 11.605 21.320 ( -0.917 -0.530 -0.944) 1.419 21.472 ( -7.410 -4.278 -4.451) 9.645 25.997 ( 34.205 19.748 11.718) 41.198 27.094 ( -37.947 -21.909 6.201) 44.254 ======================= Grid point 485 (60/288) ======================= q-point: ( 0.05 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 31.322 54.251 32.913) 70.764 2.952 ( 25.774 44.642 53.680) 74.423 4.751 ( 51.645 89.452 47.838) 113.831 9.996 ( 11.330 19.625 -9.451) 24.553 10.563 ( 25.362 43.928 -9.079) 51.530 20.616 ( -3.318 -5.747 -39.592) 40.144 20.956 ( -1.633 -2.829 4.118) 5.256 21.175 ( -5.681 -9.840 21.067) 23.935 21.248 ( 5.554 9.620 1.262) 11.180 22.034 ( 0.725 1.257 -1.906) 2.395 26.231 ( -7.195 -12.462 29.379) 32.714 32.123 ( -3.502 -6.066 -13.278) 15.012 ======================= Grid point 486 (61/288) ======================= q-point: ( 0.10 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 38.773 44.910 34.873) 68.821 4.069 ( 39.195 53.354 24.606) 70.628 6.720 ( 71.385 77.227 33.809) 110.467 10.491 ( 17.307 26.810 -9.001) 33.156 11.678 ( 46.419 46.856 -9.318) 66.612 20.464 ( -6.259 -7.454 -40.454) 41.608 20.890 ( -1.716 -4.073 7.307) 8.540 21.029 ( -5.561 0.722 8.931) 10.546 21.493 ( 12.444 3.523 0.721) 12.953 22.058 ( -1.961 5.599 -1.962) 6.249 25.913 ( -12.713 -14.322 32.402) 37.638 31.918 ( -8.983 -11.692 -9.691) 17.644 ======================= Grid point 487 (62/288) ======================= q-point: ( 0.14 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.185 ( 44.331 42.943 22.431) 65.669 5.301 ( 38.631 52.127 20.127) 67.931 8.774 ( 77.796 64.982 26.610) 104.799 11.134 ( 20.979 31.837 -8.401) 39.042 13.088 ( 58.079 45.419 -9.906) 74.392 20.244 ( -9.019 -9.162 -40.994) 42.963 20.818 ( -1.771 -3.597 7.389) 8.406 20.970 ( -3.628 2.652 3.931) 5.971 21.698 ( 9.235 -3.655 -0.844) 9.968 22.094 ( -2.874 10.812 -2.287) 11.419 25.515 ( -15.105 -14.142 36.416) 41.884 31.581 ( -13.023 -15.718 -7.069) 21.601 ======================= Grid point 488 (63/288) ======================= q-point: ( 0.19 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.392 ( 40.138 43.707 13.507) 60.859 6.497 ( 40.900 47.019 17.743) 64.795 10.759 ( 77.673 53.279 22.116) 96.751 11.861 ( 22.109 35.521 -7.616) 42.527 14.601 ( 61.836 41.096 -11.234) 75.092 19.960 ( -11.489 -10.664 -40.276) 43.218 20.759 ( -1.327 -2.552 5.756) 6.434 20.940 ( -3.326 2.972 2.557) 5.142 21.733 ( 0.712 -4.676 -1.275) 4.899 22.158 ( -2.428 7.967 -3.296) 8.957 25.123 ( -13.303 -12.032 39.890) 43.737 31.144 ( -16.251 -19.178 -5.032) 25.636 ======================= Grid point 489 (64/288) ======================= q-point: ( 0.24 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.444 ( 28.149 44.912 12.601) 54.481 7.729 ( 47.149 40.462 10.017) 62.932 12.447 ( 44.287 31.456 2.821) 54.395 12.756 ( 49.926 48.500 9.514) 70.252 16.060 ( 58.353 34.031 -15.115) 69.222 19.630 ( -12.631 -11.258 -35.752) 39.553 20.723 ( -0.340 -1.283 3.988) 4.203 20.906 ( -4.164 3.183 2.055) 5.630 21.670 ( -3.225 -2.212 -1.036) 4.046 22.125 ( -7.127 1.585 -2.820) 7.827 24.824 ( -8.012 -9.061 40.258) 42.036 30.616 ( -19.513 -22.425 -3.321) 29.911 ======================= Grid point 490 (65/288) ======================= q-point: ( 0.29 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.307 ( 19.551 41.679 12.251) 47.639 8.963 ( 47.257 37.293 3.163) 60.283 13.206 ( 18.252 30.672 -7.212) 36.413 14.339 ( 65.205 39.507 18.146) 78.370 17.263 ( 41.802 20.565 -28.368) 54.544 19.338 ( -6.491 -7.422 -19.119) 21.512 20.725 ( 1.326 0.179 2.208) 2.582 20.860 ( -4.832 3.824 1.820) 6.425 21.588 ( -4.302 -0.300 -0.807) 4.388 21.956 ( -10.823 -1.847 -0.835) 11.011 24.661 ( -1.394 -6.396 36.594) 37.175 29.993 ( -23.469 -25.643 -1.760) 34.806 ======================= Grid point 491 (66/288) ======================= q-point: ( 0.33 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.983 ( 11.183 37.394 11.891) 40.802 10.141 ( 44.388 33.955 -2.662) 55.949 13.772 ( 11.294 28.861 -7.561) 31.901 15.778 ( 56.603 30.288 16.465) 66.275 17.752 ( 2.568 -3.933 -53.019) 53.227 19.400 ( 14.992 4.461 14.513) 21.337 20.775 ( 2.773 1.347 0.407) 3.109 20.827 ( -3.228 5.383 1.711) 6.506 21.516 ( -4.593 1.745 -1.003) 5.015 21.750 ( -9.061 -2.085 -0.651) 9.321 24.660 ( 7.496 -2.759 30.496) 31.525 29.260 ( -28.200 -28.788 -0.137) 40.299 ======================= Grid point 492 (67/288) ======================= q-point: ( 0.38 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.465 ( 2.895 32.768 11.635) 34.893 11.194 ( 37.301 29.012 -7.437) 47.837 14.187 ( 4.075 25.560 -7.763) 27.022 16.881 ( 33.830 15.453 -1.546) 37.225 17.548 ( -4.476 -7.681 -38.995) 39.996 19.697 ( 9.721 0.065 29.471) 31.033 20.790 ( -2.885 4.626 1.199) 5.582 20.926 ( 6.916 4.708 -0.634) 8.390 21.457 ( -5.754 3.985 -1.337) 7.126 21.622 ( -3.421 -1.589 -3.178) 4.932 24.915 ( 21.841 4.176 22.884) 31.908 28.411 ( -32.932 -31.465 1.825) 45.584 ======================= Grid point 493 (68/288) ======================= q-point: ( 0.43 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.753 ( -5.298 28.045 11.483) 30.765 11.992 ( 22.296 20.239 -10.574) 31.915 14.435 ( -3.182 21.496 -8.034) 23.168 16.900 ( -11.072 -10.944 -55.165) 57.319 17.953 ( 26.920 11.291 15.701) 33.147 19.712 ( -1.406 -7.226 36.458) 37.194 20.790 ( -3.030 5.417 1.415) 6.367 21.126 ( 9.663 4.524 -2.096) 10.873 21.401 ( -5.103 4.665 -1.474) 7.069 21.542 ( -4.796 -2.756 -3.812) 6.718 25.523 ( 36.456 11.619 14.932) 41.073 27.471 ( -35.512 -32.641 4.486) 48.442 ======================= Grid point 494 (69/288) ======================= q-point: ( 0.48 0.05 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.850 ( -13.463 23.318 11.432) 29.252 12.308 ( -3.264 5.654 -11.588) 13.301 14.515 ( -10.035 17.381 -8.218) 21.688 16.719 ( 1.950 -3.378 -55.798) 55.934 18.286 ( 1.520 -2.633 15.118) 15.421 19.630 ( 3.119 -5.402 40.323) 40.802 20.791 ( -3.143 5.443 1.433) 6.446 21.295 ( 1.207 -2.090 -2.997) 3.847 21.393 ( -0.234 0.405 -5.749) 5.768 21.412 ( -3.567 6.178 1.075) 7.214 26.212 ( 3.864 -6.693 9.740) 12.434 26.690 ( 5.563 -9.636 7.571) 13.458 ======================= Grid point 508 (70/288) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.007 ( 30.841 53.418 24.490) 66.366 5.253 ( 34.953 60.541 18.825) 72.397 8.391 ( 49.063 84.980 28.119) 102.076 11.136 ( 20.440 35.403 -8.635) 41.782 12.778 ( 34.626 59.974 -9.415) 69.889 20.276 ( -6.291 -10.897 -40.909) 42.801 20.815 ( -1.917 -3.321 6.996) 7.978 21.031 ( -0.196 -0.339 5.188) 5.203 21.579 ( 2.684 4.649 -0.790) 5.426 22.185 ( 3.447 5.970 -2.672) 7.393 25.579 ( -10.361 -17.946 35.714) 41.290 31.611 ( -10.470 -18.135 -7.244) 22.158 ======================= Grid point 509 (71/288) ======================= q-point: ( 0.14 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.141 ( 37.147 50.107 15.554) 64.285 6.479 ( 32.373 61.342 16.066) 71.197 10.135 ( 59.144 67.596 23.952) 92.957 11.905 ( 21.007 42.708 -7.665) 48.208 14.079 ( 47.070 51.256 -10.479) 70.375 20.022 ( -8.913 -12.540 -40.590) 43.408 20.755 ( -1.357 -2.606 5.656) 6.374 21.024 ( -1.814 2.594 3.327) 4.592 21.656 ( 3.128 -0.541 -1.144) 3.374 22.278 ( -0.705 6.553 -3.884) 7.650 25.205 ( -11.731 -15.861 39.172) 43.859 31.188 ( -13.738 -22.614 -5.199) 26.966 ======================= Grid point 510 (72/288) ======================= q-point: ( 0.19 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.319 ( 39.318 47.277 7.535) 61.950 7.623 ( 26.340 61.020 15.169) 68.172 11.815 ( 61.171 50.154 19.270) 81.417 12.740 ( 20.967 49.379 -5.045) 53.883 15.437 ( 52.342 40.489 -13.119) 67.462 19.711 ( -10.863 -13.652 -37.897) 41.720 20.716 ( -0.559 -1.534 4.193) 4.499 21.018 ( -3.130 4.604 2.438) 6.077 21.673 ( 0.184 -1.648 -0.725) 1.810 22.276 ( -5.636 3.448 -4.551) 8.023 24.866 ( -9.441 -13.071 40.806) 43.876 30.670 ( -16.136 -26.971 -3.488) 31.622 ======================= Grid point 511 (73/288) ======================= q-point: ( 0.24 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.443 ( 29.332 49.251 2.118) 57.363 8.678 ( 28.680 54.461 13.211) 62.953 13.166 ( 35.276 38.534 3.103) 52.334 13.766 ( 42.024 49.934 9.706) 65.982 16.690 ( 47.944 27.029 -20.728) 58.812 19.383 ( -9.669 -12.537 -28.243) 32.378 20.707 ( 0.646 -0.306 2.679) 2.772 21.005 ( -4.729 6.475 1.955) 8.252 21.639 ( -2.110 -1.268 0.054) 2.462 22.151 ( -10.551 1.073 -3.671) 11.223 24.619 ( -4.308 -11.026 38.830) 40.595 30.067 ( -18.676 -31.094 -1.999) 36.326 ======================= Grid point 512 (74/288) ======================= q-point: ( 0.29 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.302 ( 9.513 53.801 6.000) 54.964 9.785 ( 38.384 43.707 2.933) 58.243 13.953 ( 12.129 41.499 -5.744) 43.615 15.102 ( 54.546 35.602 17.172) 67.362 17.527 ( 22.589 4.668 -42.287) 48.168 19.221 ( 5.027 -3.556 -0.756) 6.204 20.735 ( 2.350 0.751 1.010) 2.665 20.988 ( -5.652 8.506 1.713) 10.355 21.584 ( -2.504 -0.852 0.270) 2.659 21.953 ( -12.735 1.910 -2.493) 13.116 24.500 ( 3.142 -9.317 33.714) 35.119 29.372 ( -22.060 -34.869 -0.567) 41.265 ======================= Grid point 513 (75/288) ======================= q-point: ( 0.33 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.905 ( -1.741 51.623 7.597) 52.209 10.874 ( 36.668 37.952 -4.107) 52.932 14.491 ( 1.508 40.683 -7.538) 41.403 16.327 ( 47.884 23.634 14.405) 55.307 17.557 ( -6.485 -13.754 -53.172) 55.304 19.463 ( 16.314 0.787 23.918) 28.963 20.806 ( 4.173 1.635 -0.726) 4.540 20.989 ( -4.585 10.109 1.531) 11.205 21.544 ( -1.226 -0.396 -1.655) 2.098 21.769 ( -11.375 4.810 -1.924) 12.500 24.577 ( 15.357 -5.166 26.725) 31.253 28.574 ( -26.197 -38.045 1.049) 46.204 ======================= Grid point 514 (76/288) ======================= q-point: ( 0.38 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.299 ( -10.957 47.729 8.071) 49.631 11.809 ( 27.491 31.268 -8.606) 42.515 14.836 ( -7.265 36.988 -9.023) 38.760 16.940 ( -3.019 -8.846 -42.878) 43.885 17.543 ( 27.803 7.405 6.404) 29.476 19.615 ( 3.917 -7.798 32.758) 33.900 20.892 ( 0.974 4.357 -0.761) 4.529 21.053 ( 2.048 7.765 -0.090) 8.031 21.512 ( -2.336 -1.041 -4.754) 5.398 21.657 ( -8.470 7.140 -0.306) 11.082 24.978 ( 32.165 2.029 18.577) 37.200 27.677 ( -29.927 -40.087 3.167) 50.126 ======================= Grid point 515 (77/288) ======================= q-point: ( 0.43 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.494 ( -19.485 43.272 8.220) 48.163 12.401 ( 7.255 19.833 -10.671) 23.662 14.993 ( -14.338 31.850 -10.857) 36.577 16.678 ( -5.194 -9.607 -52.089) 53.221 18.109 ( 18.896 3.499 16.759) 25.498 19.516 ( -0.106 -11.290 38.232) 39.864 20.924 ( -3.403 7.048 0.267) 7.831 21.194 ( 6.737 1.156 -3.049) 7.485 21.439 ( -3.998 -1.067 -4.929) 6.436 21.598 ( -7.552 9.291 1.107) 12.024 25.710 ( 42.327 6.529 11.491) 44.342 26.731 ( -28.828 -39.242 6.181) 49.083 ======================= Grid point 530 (78/288) ======================= q-point: ( 0.14 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.205 ( 31.034 53.753 8.583) 62.659 7.734 ( 34.892 60.434 13.553) 71.087 11.505 ( 38.253 66.256 21.318) 79.420 12.833 ( 27.352 47.374 -5.891) 55.019 15.156 ( 31.006 53.704 -12.547) 63.269 19.737 ( -8.780 -15.208 -38.470) 42.288 20.713 ( -0.841 -1.456 4.248) 4.569 21.076 ( 1.441 2.495 2.647) 3.912 21.657 ( 0.047 0.082 -0.765) 0.771 22.350 ( 0.264 0.457 -5.084) 5.111 24.884 ( -8.815 -15.268 40.845) 44.487 30.670 ( -16.111 -27.906 -3.480) 32.410 ======================= Grid point 531 (79/288) ======================= q-point: ( 0.19 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.316 ( 34.284 50.214 1.576) 60.822 8.904 ( 25.565 62.920 12.505) 69.057 12.816 ( 43.151 48.361 17.264) 67.073 13.810 ( 24.333 54.052 -2.327) 59.322 16.232 ( 37.029 36.755 -17.823) 55.134 19.414 ( -9.607 -15.035 -31.821) 36.482 20.697 ( 0.081 -0.367 2.927) 2.951 21.125 ( -0.751 5.714 2.093) 6.131 21.645 ( -0.718 -1.533 0.194) 1.705 22.303 ( -5.166 -0.570 -5.309) 7.429 24.596 ( -7.054 -13.266 39.979) 42.709 30.057 ( -18.076 -32.844 -1.993) 37.542 ======================= Grid point 532 (80/288) ======================= q-point: ( 0.24 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.418 ( 33.177 47.382 -5.802) 58.133 9.909 ( 15.555 63.472 12.969) 66.624 13.972 ( 35.478 39.413 8.985) 53.784 14.800 ( 27.101 51.712 5.264) 58.620 17.125 ( 30.539 14.458 -32.100) 46.606 19.145 ( -3.611 -10.003 -13.328) 17.051 20.710 ( 1.283 0.532 1.496) 2.042 21.164 ( -3.201 8.904 1.708) 9.615 21.600 ( -1.721 -2.724 0.895) 3.344 22.175 ( -9.043 1.330 -4.661) 10.260 24.377 ( -2.276 -12.483 36.190) 38.350 29.363 ( -19.851 -37.575 -0.667) 42.501 ======================= Grid point 533 (81/288) ======================= q-point: ( 0.29 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.388 ( 17.416 50.029 -9.345) 53.792 10.794 ( 17.896 56.244 10.608) 59.968 14.835 ( 14.646 42.756 -1.338) 45.215 15.822 ( 36.763 36.359 13.588) 53.462 17.454 ( 4.186 -10.956 -51.980) 53.286 19.184 ( 13.579 -1.053 15.829) 20.882 20.754 ( 2.916 1.116 -0.171) 3.127 21.194 ( -5.072 11.177 1.413) 12.355 21.542 ( -1.109 -3.066 -0.391) 3.283 22.031 ( -10.567 5.295 -3.368) 12.290 24.290 ( 7.144 -10.841 30.146) 32.823 28.587 ( -22.294 -41.655 0.680) 47.251 ======================= Grid point 534 (82/288) ======================= q-point: ( 0.33 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.015 ( -5.679 55.058 -2.919) 55.427 11.703 ( 24.825 44.011 -0.455) 50.532 15.371 ( -3.332 43.183 -8.979) 44.232 16.737 ( 27.614 15.142 2.410) 31.585 17.262 ( 0.675 -11.630 -36.171) 38.001 19.409 ( 11.038 -6.318 28.760) 31.447 20.839 ( 5.126 1.511 -1.944) 5.687 21.209 ( -5.726 10.042 0.550) 11.573 21.508 ( -0.021 -1.757 -3.174) 3.628 21.920 ( -10.116 8.867 -1.288) 13.514 24.461 ( 23.154 -5.821 22.386) 32.728 27.727 ( -25.276 -44.565 2.333) 51.287 ======================= Grid point 535 (83/288) ======================= q-point: ( 0.38 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.349 ( -18.673 53.440 0.153) 56.609 12.475 ( 14.494 34.401 -6.133) 37.830 15.599 ( -14.077 32.519 -19.176) 40.292 16.727 ( -9.911 -5.706 -39.975) 41.578 17.717 ( 30.078 7.605 17.660) 35.699 19.395 ( 0.329 -13.229 34.605) 37.049 20.958 ( 5.739 2.314 -3.121) 6.930 21.188 ( -4.208 2.825 -2.006) 5.451 21.494 ( -1.985 2.248 -2.830) 4.123 21.852 ( -8.976 10.616 0.491) 13.911 25.001 ( 40.135 0.221 14.439) 42.653 26.797 ( -27.323 -45.566 4.676) 53.335 ======================= Grid point 536 (84/288) ======================= q-point: ( 0.43 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.455 ( -28.380 49.155 0.879) 56.766 12.802 ( -11.402 19.748 -7.334) 23.954 15.614 ( -13.589 23.536 -27.146) 38.412 16.605 ( -4.073 7.055 -33.588) 34.561 18.069 ( 4.671 -8.091 18.031) 20.307 19.288 ( 5.860 -10.151 37.752) 39.530 21.048 ( -2.369 4.102 -2.684) 5.445 21.140 ( 2.863 -4.959 -4.683) 7.397 21.487 ( -3.284 5.688 -1.279) 6.691 21.825 ( -6.968 12.069 0.949) 13.969 25.727 ( 9.053 -15.681 9.323) 20.366 25.958 ( 14.337 -24.832 7.608) 29.665 ======================= Grid point 553 (85/288) ======================= q-point: ( 0.19 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.354 ( 29.561 51.201 -4.872) 59.323 10.135 ( 32.775 56.768 10.697) 66.417 13.794 ( 27.457 47.557 16.884) 57.451 14.896 ( 29.678 51.403 -0.778) 59.360 16.895 ( 15.414 26.697 -28.865) 42.232 19.128 ( -6.780 -11.743 -17.511) 22.147 20.701 ( 0.436 0.756 1.674) 1.887 21.245 ( 3.408 5.903 1.762) 7.040 21.599 ( -1.758 -3.046 0.889) 3.627 22.265 ( -1.573 -2.724 -5.458) 6.300 24.333 ( -6.984 -12.096 37.114) 39.655 29.342 ( -21.420 -37.100 -0.655) 42.844 ======================= Grid point 554 (86/288) ======================= q-point: ( 0.24 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.388 ( 29.846 47.589 -11.967) 57.434 11.188 ( 18.228 60.425 10.347) 63.957 14.748 ( 31.385 36.660 15.864) 50.800 15.870 ( 19.582 52.691 0.651) 56.216 17.234 ( 8.118 -4.267 -47.175) 48.058 19.007 ( 3.309 -3.310 7.570) 8.901 20.728 ( 1.468 1.247 0.237) 1.940 21.356 ( -0.142 9.584 1.477) 9.698 21.528 ( -1.662 -4.257 -0.004) 4.570 22.204 ( -4.352 1.356 -4.631) 6.498 24.126 ( -1.864 -11.619 32.360) 34.434 28.549 ( -22.579 -41.918 0.586) 47.616 ======================= Grid point 555 (87/288) ======================= q-point: ( 0.29 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.345 ( 23.545 45.038 -19.381) 54.391 12.016 ( 6.367 60.993 11.759) 62.442 15.607 ( 23.769 31.814 8.424) 40.597 16.612 ( 9.334 36.218 -1.581) 37.435 17.159 ( 0.489 -11.638 -45.162) 46.640 19.131 ( 11.837 -5.203 24.712) 27.890 20.780 ( 3.015 1.377 -1.461) 3.622 21.386 ( -5.012 2.673 -1.800) 5.958 21.506 ( 0.660 4.261 0.160) 4.315 22.146 ( -6.071 5.509 -2.690) 8.628 24.080 ( 10.346 -9.120 25.740) 29.202 27.692 ( -23.847 -45.751 1.939) 51.629 ======================= Grid point 556 (88/288) ======================= q-point: ( 0.33 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.063 ( 2.881 46.597 -21.222) 51.283 12.704 ( 5.777 53.865 9.874) 55.066 16.033 ( -7.618 11.838 -29.184) 32.401 16.822 ( 8.200 2.154 -11.458) 14.253 17.403 ( 11.667 25.386 4.878) 28.361 19.207 ( 6.152 -13.105 30.829) 34.059 20.866 ( 5.294 1.116 -3.299) 6.337 21.284 ( -5.292 -3.505 -5.172) 8.188 21.580 ( -1.316 9.434 0.924) 9.570 22.099 ( -7.197 8.231 -0.510) 10.945 24.353 ( 28.990 -4.465 17.810) 34.315 26.780 ( -25.170 -47.619 3.740) 53.991 ======================= Grid point 557 (89/288) ======================= q-point: ( 0.38 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.394 ( -18.281 46.834 -16.750) 52.992 13.240 ( -4.740 41.283 4.962) 41.849 15.811 ( -6.245 -10.862 -51.217) 52.727 17.038 ( -11.137 33.863 -1.965) 35.702 17.806 ( 15.100 -0.125 19.128) 24.370 19.116 ( 1.274 -12.228 32.551) 34.795 20.987 ( 7.300 0.255 -4.940) 8.819 21.142 ( -5.282 -4.974 -5.766) 9.267 21.634 ( -3.828 9.517 1.285) 10.338 22.065 ( -6.876 9.832 0.600) 12.012 24.989 ( 44.823 -1.356 10.985) 46.170 25.850 ( -25.121 -46.246 6.487) 53.027 ======================= Grid point 575 (90/288) ======================= q-point: ( 0.24 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.348 ( 26.639 46.140 -18.774) 56.489 12.324 ( 28.846 49.963 8.175) 58.269 15.480 ( 20.455 35.429 21.277) 46.112 16.906 ( 26.958 46.693 -1.778) 53.946 16.974 ( -11.029 -19.103 -54.303) 58.612 18.979 ( -0.412 -0.714 22.580) 22.595 20.761 ( 1.149 1.991 -1.224) 2.604 21.427 ( -2.993 -5.184 -2.960) 6.678 21.546 ( 4.852 8.403 1.606) 9.835 22.228 ( 0.612 1.060 -3.282) 3.503 23.938 ( -3.236 -5.606 27.180) 27.940 27.664 ( -25.751 -44.601 1.839) 51.534 ======================= Grid point 576 (91/288) ======================= q-point: ( 0.29 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.244 ( 22.139 43.028 -26.206) 55.030 13.201 ( 10.731 53.596 8.007) 55.243 16.147 ( 11.106 20.404 7.388) 24.377 16.539 ( -0.166 -22.131 -35.060) 41.461 17.732 ( 8.384 47.308 -2.900) 48.133 18.943 ( 4.869 -13.623 29.459) 32.819 20.811 ( 2.484 1.656 -2.937) 4.187 21.307 ( -3.915 -6.457 -5.877) 9.569 21.697 ( 1.262 10.189 1.873) 10.436 22.245 ( -1.802 4.057 -1.329) 4.634 23.949 ( 10.807 -2.867 20.579) 23.420 26.740 ( -25.646 -46.998 3.327) 53.643 ======================= Grid point 577 (92/288) ======================= q-point: ( 0.33 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.941 ( 6.024 40.577 -32.293) 52.208 13.819 ( -1.676 52.891 10.917) 54.032 15.808 ( -16.649 -24.327 -49.715) 57.798 17.035 ( 32.602 12.785 23.739) 42.307 18.034 ( -19.270 26.715 8.111) 33.924 18.943 ( 8.740 -7.365 23.201) 25.863 20.884 ( 4.423 0.704 -4.868) 6.615 21.164 ( -4.158 -6.838 -7.049) 10.665 21.795 ( -2.132 10.417 2.245) 10.867 22.244 ( -3.854 5.832 0.178) 6.992 24.288 ( 29.997 -1.748 13.779) 33.057 25.818 ( -24.596 -45.650 5.442) 52.139 ======================= Grid point 578 (93/288) ======================= q-point: ( 0.38 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.209 ( -19.190 33.238 -33.353) 50.847 14.131 ( -24.840 43.025 14.993) 51.894 15.466 ( 10.711 -18.553 -54.572) 58.626 17.643 ( 6.595 -11.423 25.240) 28.479 17.727 ( -13.060 22.620 17.287) 31.322 19.010 ( -2.371 4.106 15.673) 16.374 20.954 ( 1.859 -3.219 -6.416) 7.415 21.062 ( 1.300 -2.252 -6.557) 7.054 21.830 ( -5.290 9.163 2.433) 10.857 22.238 ( -3.955 6.850 0.650) 7.937 24.858 ( 14.548 -25.198 8.688) 30.365 25.056 ( 9.236 -15.998 8.695) 20.417 ======================= Grid point 598 (94/288) ======================= q-point: ( 0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.085 ( 22.316 38.652 -33.247) 55.653 14.143 ( 21.687 37.562 2.552) 43.448 15.879 ( -17.709 -30.673 -45.356) 57.547 16.715 ( 14.834 25.693 30.111) 42.271 18.566 ( -11.856 -20.534 34.106) 41.538 18.638 ( 20.851 36.114 -5.832) 42.107 20.849 ( 1.242 2.152 -4.664) 5.285 21.163 ( -4.183 -7.245 -7.295) 11.100 21.878 ( 4.190 7.258 2.264) 8.681 22.308 ( 1.225 2.122 -0.041) 2.451 23.995 ( 4.659 8.070 15.396) 17.997 25.800 ( -25.635 -44.401 5.100) 51.523 ======================= Grid point 599 (95/288) ======================= q-point: ( 0.33 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.739 ( 2.719 37.783 -39.429) 54.677 14.733 ( 8.294 30.437 -3.691) 31.762 15.252 ( -18.283 -25.448 -35.762) 47.548 17.281 ( 24.297 12.416 32.571) 42.489 18.044 ( -18.852 -19.601 34.952) 44.286 19.202 ( 3.610 23.975 -5.241) 24.806 20.899 ( 2.318 0.976 -6.533) 7.000 21.032 ( -2.261 -5.760 -7.478) 9.707 21.982 ( -1.170 7.452 2.720) 8.019 22.334 ( -1.091 2.905 0.658) 3.172 24.294 ( 21.895 2.905 11.038) 24.692 24.977 ( -19.192 -34.904 7.554) 40.542 ======================= Grid point 620 (96/288) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 14.477 ( -16.943 -29.346 -46.273) 57.354 14.477 ( 16.943 29.346 -46.273) 57.354 15.237 ( -0.000 -0.000 9.399) 9.399 17.601 ( -9.926 -17.193 37.588) 42.509 17.601 ( 9.926 17.193 37.588) 42.509 19.490 ( -0.000 -0.000 -9.049) 9.049 20.938 ( -1.611 -2.790 -7.506) 8.168 20.938 ( 1.611 2.790 -7.506) 8.168 22.067 ( -0.000 -0.000 2.853) 2.853 22.363 ( -0.000 -0.000 0.825) 0.825 24.460 ( -7.689 -13.317 9.449) 18.048 24.460 ( 7.689 13.317 9.449) 18.048 ======================= Grid point 926 (97/288) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 0.000 64.569) 64.569 2.764 ( -0.000 0.000 64.569) 64.569 5.194 ( -0.000 0.000 122.769) 122.769 9.306 ( 0.000 0.000 -18.385) 18.385 9.306 ( 0.000 -0.000 -18.385) 18.385 19.658 ( -0.000 -0.000 -63.048) 63.048 21.080 ( 0.000 0.000 4.256) 4.256 21.080 ( -0.000 0.000 4.256) 4.256 21.962 ( 0.000 0.000 -3.581) 3.581 21.962 ( 0.000 0.000 -3.581) 3.581 27.208 ( 0.000 0.000 38.970) 38.970 31.824 ( 0.000 0.000 -13.595) 13.595 ======================= Grid point 927 (98/288) ======================= q-point: ( 0.05 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 28.358 16.373 57.465) 66.140 3.460 ( 46.719 26.973 55.954) 77.724 5.439 ( 25.585 14.771 113.372) 117.158 9.438 ( 11.077 6.395 -18.153) 22.206 9.652 ( 28.776 16.614 -18.244) 37.906 19.613 ( -3.692 -2.132 -62.926) 63.070 21.064 ( -1.243 -0.718 4.294) 4.527 21.158 ( 6.126 3.537 3.794) 8.027 21.774 ( -12.575 -7.260 6.028) 15.722 21.961 ( -0.169 -0.098 -3.626) 3.631 27.133 ( -6.181 -3.569 39.851) 40.485 31.835 ( -0.219 -0.126 -16.398) 16.400 ======================= Grid point 928 (99/288) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 42.679 24.641 45.683) 67.198 4.487 ( 38.842 22.425 62.966) 77.306 6.573 ( 68.228 39.392 75.783) 109.316 9.815 ( 20.499 11.835 -17.583) 29.486 10.604 ( 50.422 29.111 -18.265) 61.020 19.489 ( -6.725 -3.883 -62.549) 63.029 21.029 ( -1.525 -0.881 4.323) 4.668 21.284 ( 0.062 0.036 6.528) 6.529 21.563 ( -0.327 -0.189 9.428) 9.435 21.945 ( -1.380 -0.797 -3.667) 3.998 26.927 ( -11.061 -6.386 42.434) 44.314 31.769 ( -5.677 -3.277 -17.409) 18.602 ======================= Grid point 929 (100/288) ======================= q-point: ( 0.14 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.051 ( 46.855 27.052 36.934) 65.509 5.396 ( 39.974 23.079 57.486) 73.724 8.399 ( 82.767 47.786 51.381) 108.507 10.381 ( 27.097 15.644 -16.917) 35.570 11.948 ( 62.067 35.834 -18.857) 74.108 19.303 ( -8.959 -5.172 -61.434) 62.299 20.997 ( -1.186 -0.685 4.207) 4.424 21.158 ( -6.855 -3.958 11.997) 14.374 21.736 ( 10.159 5.865 1.620) 11.841 21.891 ( -3.241 -1.871 -3.557) 5.163 26.630 ( -13.683 -7.900 46.339) 48.959 31.569 ( -11.166 -6.446 -15.310) 20.016 ======================= Grid point 930 (101/288) ======================= q-point: ( 0.19 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.148 ( 45.666 26.365 31.375) 61.359 6.384 ( 43.647 25.199 43.966) 66.881 10.366 ( 83.061 47.955 40.622) 104.158 11.065 ( 30.420 17.563 -16.303) 38.725 13.457 ( 64.674 37.340 -20.844) 77.533 19.077 ( -9.887 -5.709 -58.341) 59.447 20.971 ( -1.135 -0.655 3.931) 4.143 21.013 ( -5.424 -3.131 10.753) 12.444 21.797 ( -4.621 -2.668 -3.284) 6.266 21.943 ( 6.607 3.815 -2.021) 7.892 26.303 ( -13.720 -7.921 50.490) 52.917 31.251 ( -15.676 -9.051 -12.308) 21.889 ======================= Grid point 931 (102/288) ======================= q-point: ( 0.24 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.178 ( 41.361 23.880 27.915) 55.319 7.436 ( 45.343 26.179 30.510) 60.598 11.790 ( 30.629 17.684 -15.781) 38.729 12.274 ( 78.426 45.279 34.984) 97.081 14.925 ( 58.301 33.660 -26.719) 72.428 18.864 ( -7.237 -4.178 -50.427) 51.115 20.902 ( -3.963 -2.288 8.530) 9.680 20.938 ( -1.761 -1.017 3.607) 4.141 21.683 ( -4.839 -2.794 -2.969) 6.327 22.025 ( 0.214 0.123 -4.122) 4.129 25.999 ( -11.869 -6.852 53.111) 54.851 30.833 ( -19.804 -11.434 -9.263) 24.672 ======================= Grid point 932 (103/288) ======================= q-point: ( 0.29 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.082 ( 35.132 20.284 25.755) 48.053 8.506 ( 45.234 26.116 18.195) 55.310 12.487 ( 28.177 16.268 -15.381) 35.989 14.037 ( 70.816 40.886 31.511) 87.632 16.088 ( 37.221 21.490 -42.233) 60.257 18.821 ( 6.338 3.659 -31.307) 32.151 20.828 ( -2.257 -1.303 6.036) 6.574 20.888 ( -2.403 -1.387 3.352) 4.351 21.575 ( -4.296 -2.480 -2.715) 5.655 21.960 ( -5.405 -3.120 -4.228) 7.538 25.750 ( -9.171 -5.295 52.694) 53.747 30.317 ( -24.146 -13.941 -6.361) 28.598 ======================= Grid point 933 (104/288) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.824 ( 27.804 16.053 24.408) 40.330 9.553 ( 43.375 25.043 6.982) 50.570 13.100 ( 23.572 13.609 -15.140) 31.145 15.569 ( 57.047 32.936 24.537) 70.293 16.586 ( 7.679 4.434 -56.944) 57.630 19.244 ( 27.974 16.151 -6.004) 32.855 20.802 ( 0.209 0.121 3.370) 3.379 20.832 ( -2.159 -1.246 3.168) 4.031 21.480 ( -3.774 -2.179 -2.500) 5.024 21.795 ( -8.025 -4.633 -3.221) 9.810 25.577 ( -5.073 -2.929 48.901) 49.251 29.693 ( -28.895 -16.683 -3.446) 33.543 ======================= Grid point 934 (105/288) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.387 ( 19.981 11.536 23.568) 32.982 10.530 ( 39.061 22.552 -2.921) 45.199 13.585 ( 17.415 10.055 -15.039) 25.111 16.200 ( -7.500 -4.330 -53.652) 54.347 17.106 ( 43.246 24.968 15.504) 52.288 19.938 ( 26.542 15.324 8.027) 31.682 20.792 ( -1.172 -0.677 2.994) 3.285 20.849 ( 4.030 2.327 0.678) 4.703 21.397 ( -3.271 -1.889 -2.262) 4.403 21.611 ( -6.978 -4.028 -3.350) 8.725 25.545 ( 3.324 1.919 41.718) 41.894 28.956 ( -33.568 -19.381 -0.128) 38.762 ======================= Grid point 935 (106/288) ======================= q-point: ( 0.43 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.764 ( 12.010 6.934 23.063) 26.911 11.357 ( 30.098 17.377 -10.737) 36.375 13.914 ( 10.489 6.056 -15.006) 19.284 15.856 ( -16.745 -9.668 -63.276) 66.164 18.066 ( 34.502 19.920 25.363) 47.228 20.367 ( 9.664 5.580 20.193) 23.072 20.776 ( -0.278 -0.160 2.817) 2.836 20.990 ( 7.338 4.237 -1.651) 8.633 21.330 ( -2.345 -1.354 -2.022) 3.379 21.482 ( -4.213 -2.432 -5.414) 7.278 25.780 ( 17.258 9.964 31.132) 36.964 28.123 ( -36.755 -21.221 4.156) 42.645 ======================= Grid point 936 (107/288) ======================= q-point: ( 0.48 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.953 ( 4.006 2.313 22.817) 23.281 11.877 ( 12.293 7.097 -15.132) 20.748 14.078 ( 3.470 2.004 -14.991) 15.517 15.537 ( -8.183 -4.724 -62.728) 63.436 18.645 ( 13.214 7.629 24.059) 28.490 20.467 ( 0.850 0.491 30.414) 30.430 20.774 ( 0.018 0.011 2.699) 2.699 21.166 ( 7.128 4.115 -6.009) 10.191 21.291 ( -0.864 -0.499 -1.869) 2.118 21.374 ( -5.388 -3.111 -4.076) 7.438 26.334 ( 27.181 15.693 19.911) 37.169 27.269 ( -33.345 -19.252 10.044) 39.792 ======================= Grid point 948 (108/288) ======================= q-point: ( 0.05 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( 24.364 42.200 48.350) 68.645 4.222 ( 23.289 40.338 60.773) 76.570 6.164 ( 33.565 58.136 86.569) 109.547 9.711 ( 11.434 19.804 -17.963) 29.079 10.282 ( 25.441 44.066 -17.969) 53.963 19.529 ( -3.472 -6.013 -62.680) 63.063 21.038 ( -0.975 -1.689 4.517) 4.920 21.290 ( 4.866 8.429 2.732) 10.109 21.545 ( -7.060 -12.229 12.467) 18.836 21.975 ( 0.686 1.187 -3.703) 3.949 26.994 ( -5.708 -9.886 41.565) 43.104 31.798 ( -2.471 -4.281 -17.516) 18.200 ======================= Grid point 949 (109/288) ======================= q-point: ( 0.10 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( 33.502 46.757 39.142) 69.575 5.049 ( 30.193 32.273 60.472) 74.900 7.685 ( 60.814 66.654 58.424) 107.492 10.217 ( 18.083 26.994 -17.296) 36.808 11.392 ( 45.638 47.044 -18.206) 68.026 19.373 ( -6.253 -7.339 -61.939) 62.685 21.001 ( -1.041 -1.817 4.917) 5.345 21.280 ( -9.523 -1.744 11.509) 15.039 21.524 ( 11.420 -1.206 2.614) 11.777 22.000 ( -1.684 5.306 -3.633) 6.648 26.744 ( -9.908 -11.249 44.779) 47.221 31.645 ( -7.066 -9.161 -16.097) 19.824 ======================= Grid point 950 (110/288) ======================= q-point: ( 0.14 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.814 ( 34.371 45.116 34.190) 66.225 5.983 ( 36.712 35.184 47.222) 69.395 9.525 ( 71.479 60.390 44.309) 103.535 10.877 ( 21.651 32.657 -16.137) 42.375 12.782 ( 56.714 44.897 -19.525) 74.923 19.166 ( -8.066 -8.095 -59.889) 60.969 20.961 ( -1.029 -2.812 5.794) 6.522 21.121 ( -7.018 -0.122 9.906) 12.141 21.675 ( 7.601 -4.868 -1.296) 9.118 22.035 ( -2.540 9.306 -3.383) 10.222 26.433 ( -11.801 -11.250 48.805) 51.456 31.368 ( -11.111 -13.393 -13.317) 21.913 ======================= Grid point 951 (111/288) ======================= q-point: ( 0.19 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.849 ( 34.645 38.760 29.684) 59.864 7.033 ( 37.034 40.540 34.168) 64.672 11.341 ( 64.542 43.518 25.479) 81.907 11.668 ( 31.565 44.022 -3.751) 54.299 14.245 ( 58.605 38.943 -23.195) 74.089 18.939 ( -7.824 -7.522 -54.721) 55.787 20.902 ( -1.670 -3.935 7.069) 8.261 21.028 ( -5.156 2.478 6.180) 8.421 21.690 ( 0.403 -4.535 -2.818) 5.355 22.080 ( -2.555 6.313 -4.177) 7.989 26.115 ( -11.249 -10.462 52.206) 54.419 30.985 ( -14.503 -17.139 -10.292) 24.698 ======================= Grid point 952 (112/288) ======================= q-point: ( 0.24 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.819 ( 30.851 36.764 23.546) 53.459 8.091 ( 36.705 39.156 25.125) 59.260 12.297 ( 22.838 32.178 -14.129) 41.912 13.234 ( 68.805 47.595 32.211) 89.649 15.563 ( 48.897 27.769 -33.244) 65.324 18.784 ( -1.265 -3.064 -41.975) 42.105 20.835 ( -1.566 -2.999 6.287) 7.140 20.971 ( -4.928 3.152 4.241) 7.225 21.628 ( -3.159 -1.855 -2.912) 4.680 22.045 ( -5.785 1.060 -4.743) 7.555 25.832 ( -8.990 -9.666 53.264) 54.875 30.507 ( -17.890 -20.643 -7.398) 28.300 ======================= Grid point 953 (113/288) ======================= q-point: ( 0.29 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.663 ( 22.551 35.438 21.271) 47.084 9.129 ( 37.628 35.328 14.205) 53.532 12.977 ( 17.187 31.552 -14.865) 38.883 14.853 ( 63.455 38.378 29.795) 79.920 16.397 ( 21.672 8.445 -52.665) 57.572 18.948 ( 19.032 8.797 -17.211) 27.126 20.793 ( -0.373 -1.477 4.166) 4.435 20.917 ( -5.103 3.802 3.560) 7.292 21.551 ( -4.396 0.187 -2.735) 5.181 21.906 ( -8.829 -2.236 -3.968) 9.935 25.607 ( -5.438 -8.899 51.083) 52.137 29.930 ( -21.799 -24.023 -4.614) 32.766 ======================= Grid point 954 (114/288) ======================= q-point: ( 0.33 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.330 ( 13.554 32.657 20.794) 41.020 10.129 ( 36.478 31.501 3.183) 48.302 13.537 ( 10.993 28.909 -15.070) 34.405 16.101 ( 28.486 14.993 -7.379) 33.025 16.666 ( 21.710 8.037 -28.620) 36.811 19.565 ( 31.585 14.261 1.984) 34.712 20.795 ( 1.425 -0.217 1.568) 2.130 20.879 ( -3.851 5.313 3.311) 7.349 21.479 ( -4.849 1.681 -2.650) 5.775 21.712 ( -9.208 -3.103 -3.022) 10.176 25.480 ( 1.039 -6.711 45.613) 46.116 29.245 ( -26.192 -27.170 -1.652) 37.775 ======================= Grid point 955 (115/288) ======================= q-point: ( 0.38 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.806 ( 4.915 28.846 20.610) 35.791 11.034 ( 31.318 26.963 -6.141) 41.780 13.945 ( 4.075 24.726 -15.519) 29.476 16.031 ( -14.341 -10.764 -61.206) 63.778 17.586 ( 43.260 21.211 24.422) 54.016 20.156 ( 20.140 5.660 13.833) 25.080 20.821 ( -0.450 2.785 1.523) 3.206 20.921 ( 3.123 5.239 0.763) 6.147 21.412 ( -5.161 2.058 -2.999) 6.315 21.548 ( -6.186 -1.017 -3.572) 7.215 25.553 ( 13.213 -1.101 36.621) 38.947 28.455 ( -30.187 -29.624 1.970) 42.340 ======================= Grid point 956 (116/288) ======================= q-point: ( 0.43 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.092 ( -3.404 24.543 20.496) 32.156 11.733 ( 18.899 19.531 -12.518) 29.922 14.182 ( -2.628 19.224 -16.499) 25.470 15.660 ( -13.183 -8.602 -61.218) 63.209 18.393 ( 26.672 12.190 25.375) 38.780 20.375 ( 6.238 -4.128 24.524) 25.639 20.837 ( -2.318 5.113 3.488) 6.609 21.069 ( 7.340 3.811 -2.893) 8.762 21.335 ( -4.263 -0.512 -4.822) 6.457 21.468 ( -5.260 2.988 -2.717) 6.632 25.950 ( 28.079 6.488 25.140) 38.244 27.595 ( -31.532 -30.287 6.901) 44.263 ======================= Grid point 957 (117/288) ======================= q-point: ( 0.48 0.05 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.187 ( -11.537 19.983 20.454) 30.835 12.016 ( -3.845 6.660 -14.736) 16.622 14.253 ( -8.284 14.348 -17.392) 24.020 15.484 ( -0.125 0.216 -59.912) 59.912 18.705 ( 1.052 -1.822 23.979) 24.071 20.392 ( 3.826 -6.626 29.805) 30.772 20.842 ( -3.022 5.234 4.206) 7.364 21.226 ( 2.190 -3.792 -3.500) 5.606 21.238 ( -1.008 1.746 -8.447) 8.684 21.424 ( -4.158 7.202 0.026) 8.316 26.491 ( 3.976 -6.887 16.490) 18.307 26.905 ( 5.581 -9.667 12.518) 16.773 ======================= Grid point 971 (118/288) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.795 ( 23.553 40.795 49.917) 68.634 5.799 ( 32.077 55.559 32.671) 71.994 9.182 ( 45.011 77.961 46.581) 101.359 10.875 ( 21.121 36.583 -16.195) 45.240 12.484 ( 34.039 58.958 -18.908) 70.656 19.196 ( -5.710 -9.889 -60.284) 61.356 20.956 ( -1.530 -2.650 6.223) 6.935 21.204 ( -2.540 -4.400 10.527) 11.689 21.557 ( 1.902 3.294 -1.196) 3.988 22.114 ( 2.926 5.067 -4.168) 7.184 26.481 ( -8.180 -14.168 48.078) 50.785 31.394 ( -8.886 -15.390 -13.528) 22.334 ======================= Grid point 972 (119/288) ======================= q-point: ( 0.14 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.678 ( 29.196 40.612 36.237) 61.764 6.952 ( 32.161 56.596 28.896) 71.221 10.792 ( 53.940 62.562 36.561) 90.334 11.686 ( 23.246 45.846 -12.088) 52.805 13.747 ( 45.074 49.077 -21.555) 70.035 18.981 ( -6.802 -9.683 -56.416) 57.644 20.894 ( -1.773 -3.463 7.071) 8.071 21.133 ( -3.473 1.050 7.039) 7.919 21.616 ( 2.892 -1.080 -2.565) 4.014 22.186 ( -1.038 5.082 -4.966) 7.181 26.180 ( -9.687 -13.377 51.332) 53.924 31.024 ( -12.244 -20.135 -10.565) 25.825 ======================= Grid point 973 (120/288) ======================= q-point: ( 0.19 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.631 ( 32.175 38.874 23.414) 55.630 8.059 ( 27.018 57.182 26.297) 68.493 12.195 ( 37.033 43.291 5.638) 57.248 12.739 ( 42.317 56.407 15.245) 72.145 15.011 ( 46.968 35.404 -28.275) 65.260 18.786 ( -4.374 -6.944 -47.562) 48.265 20.831 ( -1.494 -2.972 6.426) 7.236 21.095 ( -4.050 3.986 4.876) 7.488 21.632 ( 0.438 -1.496 -3.139) 3.505 22.171 ( -5.143 2.511 -5.485) 7.927 25.877 ( -9.194 -12.842 53.101) 55.400 30.556 ( -14.812 -24.767 -7.709) 29.870 ======================= Grid point 974 (121/288) ======================= q-point: ( 0.24 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.582 ( 30.500 37.529 12.559) 49.964 9.065 ( 22.181 55.205 23.670) 64.030 13.077 ( 17.591 43.381 -11.387) 48.177 14.191 ( 56.931 46.047 29.645) 78.995 16.018 ( 33.461 16.071 -43.617) 57.274 18.764 ( 7.984 1.694 -28.414) 29.563 20.786 ( -0.704 -1.866 4.712) 5.116 21.065 ( -5.159 6.101 3.769) 8.834 21.607 ( -1.813 -0.699 -3.093) 3.653 22.059 ( -8.845 0.426 -5.072) 10.205 25.601 ( -6.874 -12.991 52.229) 54.257 29.997 ( -17.412 -29.139 -5.069) 34.322 ======================= Grid point 975 (122/288) ======================= q-point: ( 0.29 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.436 ( 21.306 38.207 7.234) 44.340 9.985 ( 22.185 49.309 17.097) 56.708 13.748 ( 8.422 43.160 -14.085) 46.175 15.584 ( 51.726 32.932 25.704) 66.489 16.447 ( 10.522 -2.465 -56.199) 57.228 19.162 ( 27.461 11.362 -5.150) 30.162 20.770 ( 0.604 -0.869 2.338) 2.566 21.040 ( -5.707 8.232 3.323) 10.553 21.557 ( -2.964 -0.641 -2.993) 4.261 21.885 ( -10.966 0.985 -3.864) 11.668 25.385 ( -2.013 -12.830 48.320) 50.035 29.344 ( -20.604 -33.068 -2.464) 39.039 ======================= Grid point 976 (123/288) ======================= q-point: ( 0.33 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.088 ( 7.492 39.423 8.502) 41.019 10.861 ( 24.229 41.256 5.592) 48.170 14.246 ( 0.011 39.227 -16.264) 42.465 16.129 ( -6.689 -7.081 -52.782) 53.674 16.997 ( 46.256 20.610 19.246) 54.174 19.793 ( 27.773 7.588 8.105) 29.910 20.793 ( 2.673 -0.014 -0.295) 2.689 21.038 ( -4.805 9.802 3.203) 11.377 21.487 ( -3.415 -2.398 -3.924) 5.728 21.722 ( -10.221 5.278 -2.466) 11.764 25.306 ( 7.794 -10.099 41.109) 43.043 28.594 ( -24.182 -36.231 0.511) 43.563 ======================= Grid point 977 (124/288) ======================= q-point: ( 0.38 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.508 ( -4.412 38.062 10.642) 39.767 11.645 ( 19.733 33.697 -4.332) 39.290 14.534 ( -7.641 29.809 -21.075) 37.298 15.826 ( -14.363 -6.438 -55.547) 57.734 17.959 ( 37.875 15.418 26.924) 48.961 20.176 ( 12.413 -3.315 19.153) 23.063 20.865 ( 4.145 1.247 -1.603) 4.616 21.070 ( -2.013 7.987 2.151) 8.513 21.393 ( -3.788 -2.369 -6.074) 7.540 21.644 ( -7.554 9.115 -1.063) 11.885 25.503 ( 23.336 -3.664 30.522) 38.595 27.760 ( -26.877 -38.009 4.439) 46.763 ======================= Grid point 978 (125/288) ======================= q-point: ( 0.43 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.714 ( -14.191 34.561 11.654) 39.137 12.166 ( 3.307 23.519 -9.306) 25.508 14.599 ( -10.093 16.949 -29.481) 35.473 15.595 ( -10.478 6.532 -47.024) 48.618 18.563 ( 16.580 4.332 25.676) 30.869 20.233 ( 4.618 -9.218 27.761) 29.614 20.930 ( -0.028 3.305 0.439) 3.334 21.122 ( 3.291 -1.203 -3.316) 4.825 21.322 ( -4.248 2.966 -5.431) 7.506 21.614 ( -6.968 10.003 0.317) 12.195 26.039 ( 35.603 2.162 19.392) 40.600 26.905 ( -24.396 -36.660 10.024) 45.162 ======================= Grid point 993 (126/288) ======================= q-point: ( 0.14 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.540 ( 25.263 43.757 24.710) 56.244 8.136 ( 33.452 57.940 24.622) 71.291 12.030 ( 33.402 57.854 22.323) 70.435 12.719 ( 31.652 54.824 0.254) 63.305 14.751 ( 27.844 48.228 -26.828) 61.814 18.790 ( -4.819 -8.348 -49.215) 50.150 20.829 ( -1.640 -2.840 6.488) 7.270 21.159 ( 0.825 1.429 5.242) 5.496 21.612 ( 0.134 0.231 -3.343) 3.353 22.236 ( -0.095 -0.164 -5.868) 5.871 25.893 ( -8.402 -14.552 52.891) 55.496 30.555 ( -14.797 -25.629 -7.709) 30.581 ======================= Grid point 994 (127/288) ======================= q-point: ( 0.19 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.449 ( 28.160 41.144 12.724) 51.456 9.271 ( 26.092 60.023 22.386) 69.171 13.124 ( 29.390 47.255 4.503) 55.831 13.895 ( 36.450 56.204 16.786) 69.060 15.651 ( 28.591 26.137 -38.271) 54.454 18.688 ( 1.008 -1.644 -34.688) 34.742 20.781 ( -0.964 -1.921 4.990) 5.433 21.189 ( -1.294 5.137 4.020) 6.650 21.610 ( -0.204 -1.092 -3.533) 3.704 22.186 ( -4.627 -0.787 -5.806) 7.466 25.593 ( -8.385 -14.956 52.557) 55.283 29.986 ( -16.942 -30.792 -5.082) 35.511 ======================= Grid point 995 (128/288) ======================= q-point: ( 0.24 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.356 ( 27.990 38.339 1.443) 47.491 10.266 ( 16.658 60.748 21.059) 66.418 14.022 ( 16.887 48.029 -6.512) 51.326 15.115 ( 42.201 44.791 25.580) 66.644 16.198 ( 15.913 1.517 -54.240) 56.546 18.867 ( 16.454 8.296 -12.826) 22.451 20.756 ( -0.111 -1.139 2.895) 3.114 21.216 ( -3.493 8.513 3.232) 9.753 21.576 ( -1.491 -2.722 -3.366) 4.578 22.073 ( -7.756 1.197 -4.907) 9.256 25.305 ( -5.858 -15.870 49.818) 52.612 29.332 ( -18.747 -35.695 -2.678) 40.407 ======================= Grid point 996 (129/288) ======================= q-point: ( 0.29 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.193 ( 22.791 36.247 -7.455) 43.461 11.105 ( 9.871 58.705 18.927) 62.465 14.682 ( 2.514 46.252 -14.263) 48.467 16.102 ( 11.614 9.066 -24.162) 28.300 16.444 ( 32.832 12.967 -6.352) 35.867 19.376 ( 27.226 8.787 3.157) 28.783 20.755 ( 1.191 -0.643 0.347) 1.397 21.237 ( -5.163 10.280 2.668) 11.809 21.504 ( -2.483 -4.061 -3.430) 5.867 21.958 ( -8.762 5.663 -3.469) 10.994 25.092 ( 1.100 -15.499 44.288) 46.935 28.596 ( -20.894 -39.841 -0.204) 44.988 ======================= Grid point 997 (130/288) ======================= q-point: ( 0.33 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.862 ( 10.423 35.829 -10.495) 38.762 11.830 ( 7.967 53.043 13.001) 55.191 15.000 ( -10.601 27.038 -29.351) 41.291 16.037 ( -9.220 5.862 -43.996) 45.332 17.408 ( 42.561 19.137 27.836) 54.337 19.863 ( 20.196 -0.867 13.915) 24.541 20.791 ( 3.573 -0.304 -2.344) 4.284 21.222 ( -5.948 4.470 0.473) 7.455 21.437 ( -2.420 1.593 -2.934) 4.123 21.888 ( -8.098 9.683 -1.780) 12.747 25.081 ( 14.819 -11.611 35.360) 40.059 27.785 ( -23.127 -42.635 2.849) 48.587 ======================= Grid point 998 (131/288) ======================= q-point: ( 0.38 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.273 ( -5.024 35.180 -8.330) 36.500 12.443 ( 2.836 44.898 5.483) 45.320 14.883 ( -13.023 -1.167 -48.170) 49.913 16.023 ( -15.036 30.609 -26.052) 42.915 18.215 ( 29.970 9.619 28.369) 42.373 20.035 ( 7.183 -10.184 24.249) 27.264 20.875 ( 5.942 -0.166 -4.377) 7.381 21.122 ( -4.574 -4.130 -3.933) 7.311 21.450 ( -3.346 9.048 -0.770) 9.677 21.857 ( -7.727 11.068 -0.133) 13.499 25.411 ( 32.128 -5.132 24.058) 40.464 26.926 ( -23.845 -43.216 7.197) 49.880 ======================= Grid point 999 (132/288) ======================= q-point: ( 0.43 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.407 ( -17.883 30.973 -6.864) 36.418 12.728 ( -18.622 32.255 3.133) 37.376 14.721 ( 1.633 -2.829 -53.931) 54.029 16.056 ( -20.748 35.937 -21.119) 46.561 18.556 ( 3.192 -5.529 27.228) 27.967 20.018 ( 6.601 -11.433 29.511) 32.329 20.969 ( 0.016 -0.027 -4.272) 4.272 21.017 ( 3.598 -6.233 -6.637) 9.790 21.471 ( -5.542 9.599 0.131) 11.085 21.843 ( -6.854 11.872 0.590) 13.721 25.991 ( 9.375 -16.238 15.355) 24.236 26.176 ( 14.190 -24.578 12.729) 31.104 ======================= Grid point 1016 (133/288) ======================= q-point: ( 0.19 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.299 ( 24.163 41.851 1.499) 48.348 10.454 ( 31.726 54.951 19.554) 66.396 14.093 ( 27.121 46.976 5.426) 54.514 15.012 ( 30.575 52.958 16.706) 63.391 16.030 ( 5.955 10.315 -52.300) 53.639 18.763 ( 5.648 9.782 -16.399) 19.913 20.751 ( -0.611 -1.058 3.086) 3.319 21.299 ( 3.169 5.489 3.387) 7.186 21.571 ( -1.726 -2.989 -3.782) 5.120 22.152 ( -1.257 -2.177 -5.263) 5.833 25.275 ( -9.152 -15.852 50.243) 53.473 29.310 ( -20.354 -35.255 -2.670) 40.796 ======================= Grid point 1017 (134/288) ======================= q-point: ( 0.24 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.141 ( 24.368 38.505 -9.486) 46.545 11.483 ( 19.467 57.273 17.585) 62.995 14.992 ( 18.184 46.298 1.587) 49.766 15.993 ( 15.180 26.682 -7.468) 31.593 16.134 ( 17.009 7.625 -33.026) 37.923 19.079 ( 16.240 11.559 -0.563) 19.941 20.737 ( 0.102 -0.688 0.731) 1.009 21.399 ( -1.409 8.468 2.196) 8.861 21.492 ( -1.297 -4.888 -3.349) 6.065 22.110 ( -3.252 2.337 -4.089) 5.724 24.968 ( -5.918 -16.571 45.882) 49.140 28.555 ( -21.498 -40.134 -0.406) 45.531 ======================= Grid point 1018 (135/288) ======================= q-point: ( 0.29 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.923 ( 20.671 35.404 -19.128) 45.239 12.307 ( 7.948 57.518 15.901) 60.203 15.425 ( -13.162 15.530 -35.685) 41.083 16.154 ( 13.808 14.169 -25.801) 32.514 16.984 ( 29.942 33.030 21.840) 49.644 19.492 ( 20.106 2.081 10.002) 22.553 20.743 ( 1.369 -0.624 -1.944) 2.458 21.321 ( -5.634 -5.293 -4.452) 8.921 21.530 ( -0.584 9.733 2.188) 9.993 22.089 ( -4.383 6.709 -2.604) 8.426 24.774 ( 3.761 -15.035 38.828) 41.806 27.738 ( -22.378 -43.884 2.070) 49.304 ======================= Grid point 1019 (136/288) ======================= q-point: ( 0.33 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.557 ( 10.543 32.709 -25.134) 42.576 12.956 ( 0.936 55.141 13.402) 56.754 15.090 ( -19.419 -11.819 -52.775) 57.462 16.606 ( -2.033 42.573 -12.449) 44.402 17.784 ( 29.917 18.337 27.786) 44.758 19.755 ( 12.913 -9.675 19.691) 25.458 20.778 ( 3.716 -0.965 -4.718) 6.083 21.154 ( -5.444 -7.457 -6.510) 11.297 21.616 ( -2.545 12.043 2.487) 12.557 22.085 ( -5.571 9.146 -0.908) 10.747 24.851 ( 20.866 -10.392 28.737) 37.003 26.880 ( -22.760 -45.447 5.371) 51.111 ======================= Grid point 1020 (137/288) ======================= q-point: ( 0.38 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.920 ( -5.749 28.531 -26.301) 39.228 13.445 ( -10.329 51.670 13.623) 54.425 14.647 ( -9.026 -17.193 -57.270) 60.472 16.877 ( -19.573 47.358 -12.515) 52.749 18.339 ( 17.751 1.894 29.897) 34.821 19.775 ( 6.167 -14.704 27.487) 31.777 20.855 ( 6.441 -2.139 -7.215) 9.906 20.994 ( -3.922 -6.642 -7.649) 10.863 21.674 ( -4.766 11.537 2.602) 12.751 22.076 ( -6.288 10.073 0.391) 11.880 25.301 ( 38.245 -5.656 18.186) 42.725 26.031 ( -21.018 -43.349 10.384) 49.282 ======================= Grid point 1038 (138/288) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.915 ( 21.398 37.063 -20.114) 47.288 12.555 ( 27.126 46.983 13.228) 55.841 15.762 ( -10.077 -17.454 -59.654) 62.967 15.901 ( 23.592 40.863 12.819) 48.894 16.956 ( 24.746 42.861 10.889) 50.675 19.302 ( 5.498 9.523 8.617) 13.970 20.728 ( -0.134 -0.232 -1.793) 1.813 21.339 ( -4.552 -7.885 -5.441) 10.607 21.595 ( 4.939 8.555 3.027) 10.332 22.163 ( 1.586 2.747 -2.808) 4.236 24.661 ( -7.199 -12.468 40.081) 42.589 27.707 ( -24.647 -42.690 1.862) 49.329 ======================= Grid point 1039 (139/288) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.634 ( 18.085 34.151 -29.582) 48.667 13.376 ( 12.559 44.903 6.334) 47.054 15.324 ( -19.058 -13.985 -49.736) 55.067 16.730 ( 26.167 32.376 14.578) 44.107 17.738 ( 13.997 39.888 7.898) 43.004 19.443 ( 8.814 -7.119 17.224) 20.616 20.730 ( 0.940 -0.607 -4.551) 4.687 21.165 ( -5.305 -8.766 -7.106) 12.469 21.751 ( 1.460 10.647 3.289) 11.239 22.217 ( -0.566 5.545 -1.342) 5.733 24.513 ( 4.727 -9.626 31.967) 33.718 26.827 ( -24.040 -44.817 4.533) 51.059 ======================= Grid point 1040 (140/288) ======================= q-point: ( 0.33 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.207 ( 7.281 31.208 -36.013) 48.206 13.930 ( 6.883 31.972 -9.676) 34.106 14.838 ( -24.541 -3.976 -31.223) 39.912 17.449 ( 14.289 35.370 8.279) 39.035 18.199 ( 0.355 23.501 15.550) 28.182 19.476 ( 9.655 -17.083 23.523) 30.633 20.751 ( 2.819 -1.593 -7.385) 8.063 20.989 ( -4.189 -8.026 -8.728) 12.575 21.858 ( -2.168 11.222 3.680) 12.008 22.248 ( -2.986 6.665 0.119) 7.305 24.674 ( 23.300 -6.592 22.330) 32.939 25.966 ( -21.825 -42.986 8.286) 48.917 ======================= Grid point 1041 (141/288) ======================= q-point: ( 0.38 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.448 ( -13.398 23.205 -37.836) 46.364 14.259 ( 9.695 -16.792 -59.271) 62.362 14.478 ( -25.539 44.235 19.006) 54.499 17.815 ( -23.698 41.046 -6.716) 47.869 18.276 ( 3.833 -6.638 33.219) 34.092 19.469 ( 8.469 -14.669 24.312) 29.631 20.782 ( 2.427 -4.204 -9.458) 10.631 20.893 ( 1.910 -3.308 -8.810) 9.602 21.897 ( -5.761 9.978 3.881) 12.158 22.254 ( -4.042 7.001 0.756) 8.120 25.104 ( 13.867 -24.018 14.341) 31.222 25.297 ( 9.476 -16.414 13.646) 23.354 ======================= Grid point 1061 (142/288) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.303 ( 17.789 30.812 -38.740) 52.598 13.997 ( 6.893 11.939 -26.093) 29.511 15.115 ( -1.195 -2.069 -16.071) 16.247 17.370 ( 17.835 30.891 27.481) 45.028 18.509 ( 18.280 31.662 -3.824) 36.760 19.208 ( -8.455 -14.645 25.273) 30.409 20.720 ( -0.156 -0.270 -7.298) 7.304 20.984 ( -4.914 -8.511 -8.864) 13.234 21.943 ( 4.522 7.832 3.821) 9.818 22.309 ( 1.925 3.334 0.026) 3.850 24.421 ( 0.931 1.612 24.430) 24.500 25.938 ( -23.959 -41.498 7.583) 48.514 ======================= Grid point 1062 (143/288) ======================= q-point: ( 0.33 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.831 ( 3.193 29.919 -44.950) 54.091 13.934 ( 0.907 -20.441 -54.513) 58.227 15.208 ( -9.298 27.045 15.708) 32.628 17.995 ( 21.663 20.598 31.423) 43.370 18.627 ( -28.117 7.843 14.240) 32.479 19.162 ( 15.073 -6.330 7.745) 18.090 20.723 ( 1.064 -0.755 -9.673) 9.761 20.841 ( -1.721 -6.293 -9.841) 11.807 22.058 ( -0.996 7.832 4.304) 8.992 22.352 ( -0.857 3.400 0.965) 3.637 24.600 ( 17.658 -0.026 17.550) 24.896 25.184 ( -16.432 -31.979 11.651) 37.794 ======================= Grid point 1083 (144/288) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 13.422 ( -13.855 -23.998 -52.105) 59.016 13.422 ( 13.855 23.998 -52.105) 59.016 15.521 ( -0.000 -0.000 17.688) 17.688 18.395 ( -9.736 -16.862 36.054) 40.976 18.395 ( 9.736 16.862 36.054) 40.976 19.220 ( -0.000 -0.000 -16.666) 16.666 20.743 ( -1.509 -2.614 -10.387) 10.816 20.743 ( 1.509 2.614 -10.387) 10.816 22.145 ( -0.000 -0.000 4.435) 4.435 22.386 ( -0.000 -0.000 1.293) 1.293 24.719 ( -6.633 -11.488 14.642) 19.757 24.719 ( 6.633 11.488 14.642) 19.757 ======================= Grid point 1389 (145/288) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 0.000 -0.000 60.966) 60.966 4.069 ( 0.000 0.000 60.966) 60.966 7.703 ( 0.000 -0.000 118.592) 118.592 8.832 ( -0.000 0.000 -27.177) 27.177 8.832 ( 0.000 0.000 -27.177) 27.177 18.185 ( 0.000 -0.000 -77.841) 77.841 21.185 ( 0.000 -0.000 5.826) 5.826 21.185 ( -0.000 0.000 5.826) 5.826 21.871 ( 0.000 0.000 -5.095) 5.095 21.871 ( 0.000 0.000 -5.095) 5.095 28.052 ( 0.000 -0.000 41.393) 41.393 31.474 ( -0.000 -0.000 -20.045) 20.045 ======================= Grid point 1390 (146/288) ======================= q-point: ( 0.05 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 20.899 12.066 57.668) 62.514 4.619 ( 41.545 23.986 55.468) 73.335 7.828 ( 12.267 7.082 114.962) 115.832 8.970 ( 11.554 6.671 -26.839) 29.973 9.184 ( 29.100 16.801 -26.811) 42.988 18.147 ( -3.097 -1.788 -77.297) 77.380 21.171 ( -1.162 -0.671 5.905) 6.056 21.253 ( 5.307 3.064 5.266) 8.079 21.811 ( -4.573 -2.640 -1.305) 5.439 21.870 ( -0.257 -0.148 -5.177) 5.185 27.995 ( -4.776 -2.757 42.092) 42.451 31.451 ( -2.136 -1.233 -20.904) 21.049 ======================= Grid point 1391 (147/288) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.997 ( 34.797 20.090 50.682) 64.677 5.717 ( 46.091 26.611 55.489) 76.887 8.401 ( 38.727 22.359 96.726) 106.563 9.361 ( 21.229 12.256 -25.983) 35.721 10.139 ( 50.305 29.044 -26.401) 63.805 18.046 ( -5.290 -3.054 -75.477) 75.724 21.137 ( -1.540 -0.889 5.992) 6.250 21.389 ( 4.277 2.469 4.605) 6.752 21.708 ( -2.307 -1.332 4.055) 4.852 21.852 ( -1.372 -0.792 -5.267) 5.500 27.837 ( -8.397 -4.848 44.118) 45.171 31.365 ( -5.339 -3.083 -21.663) 22.524 ======================= Grid point 1392 (148/288) ======================= q-point: ( 0.14 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.903 ( 41.073 23.714 43.965) 64.671 6.674 ( 35.833 20.688 62.508) 74.962 9.654 ( 65.139 37.608 68.818) 101.948 9.946 ( 27.849 16.079 -24.923) 40.685 11.468 ( 60.706 35.049 -27.314) 75.231 17.911 ( -5.830 -3.366 -71.632) 71.948 21.102 ( -1.409 -0.814 5.846) 6.068 21.368 ( -4.907 -2.833 8.311) 10.059 21.771 ( 6.061 3.500 1.390) 7.136 21.801 ( -3.021 -1.744 -5.124) 6.199 27.613 ( -10.336 -5.968 47.116) 48.605 31.195 ( -9.082 -5.244 -20.605) 23.121 ======================= Grid point 1393 (149/288) ======================= q-point: ( 0.19 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.888 ( 41.820 24.145 38.901) 62.010 7.473 ( 33.098 19.109 58.875) 70.192 10.646 ( 31.086 17.948 -23.903) 43.125 11.327 ( 74.533 43.031 51.239) 100.161 12.915 ( 60.348 34.842 -31.386) 76.426 17.796 ( -3.121 -1.802 -63.943) 64.045 21.069 ( -1.496 -0.864 5.433) 5.701 21.230 ( -6.195 -3.577 9.901) 12.215 21.713 ( -4.269 -2.465 -4.722) 6.826 21.899 ( 3.769 2.176 -2.443) 4.990 27.361 ( -10.859 -6.270 50.196) 51.739 30.936 ( -12.933 -7.467 -18.060) 23.435 ======================= Grid point 1394 (150/288) ======================= q-point: ( 0.24 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.844 ( 38.884 22.449 35.430) 57.195 8.256 ( 33.534 19.361 47.768) 61.491 11.385 ( 31.164 17.993 -23.044) 42.731 13.087 ( 73.815 42.617 42.409) 95.202 14.209 ( 47.069 27.176 -42.173) 68.794 17.824 ( 7.353 4.245 -48.721) 49.455 21.028 ( -2.090 -1.207 4.948) 5.505 21.089 ( -5.673 -3.275 9.223) 11.313 21.608 ( -4.521 -2.610 -4.252) 6.733 21.929 ( -1.206 -0.696 -5.136) 5.321 27.106 ( -10.804 -6.238 52.140) 53.612 30.585 ( -16.958 -9.791 -14.850) 24.575 ======================= Grid point 1395 (151/288) ======================= q-point: ( 0.29 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.701 ( 33.562 19.377 33.163) 51.006 9.049 ( 33.627 19.415 34.286) 51.800 12.093 ( 28.539 16.477 -22.415) 39.855 14.731 ( 58.854 33.979 25.060) 72.432 15.049 ( 29.297 16.915 -46.675) 57.645 18.232 ( 27.982 16.155 -26.288) 41.653 20.968 ( -4.430 -2.558 7.396) 8.993 20.971 ( -2.620 -1.513 4.590) 5.497 21.506 ( -4.066 -2.347 -3.896) 6.101 21.849 ( -5.312 -3.067 -6.292) 8.787 26.853 ( -10.584 -6.111 52.037) 53.452 30.135 ( -21.298 -12.296 -11.440) 27.123 ======================= Grid point 1396 (152/288) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.414 ( 26.818 15.483 31.720) 44.329 9.831 ( 32.507 18.768 20.503) 42.771 12.713 ( 23.757 13.716 -22.039) 35.189 15.120 ( -3.140 -1.813 -63.693) 63.796 16.350 ( 60.411 34.878 30.683) 76.207 19.067 ( 39.897 23.035 -11.329) 47.442 20.888 ( -2.166 -1.251 4.989) 5.581 20.911 ( -2.333 -1.347 4.354) 5.119 21.416 ( -3.550 -2.050 -3.621) 5.469 21.696 ( -7.249 -4.185 -6.029) 10.315 26.616 ( -9.162 -5.290 49.449) 50.568 29.580 ( -25.805 -14.899 -7.800) 30.801 ======================= Grid point 1397 (153/288) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.959 ( 19.366 11.181 30.810) 38.070 10.566 ( 29.588 17.082 7.542) 34.987 13.200 ( 17.489 10.097 -21.858) 29.759 14.901 ( -13.592 -7.847 -64.858) 66.730 17.656 ( 49.602 28.638 30.881) 65.070 19.968 ( 33.989 19.624 -4.483) 39.503 20.867 ( -1.369 -0.791 4.113) 4.406 20.881 ( 1.996 1.153 2.599) 3.474 21.339 ( -3.007 -1.736 -3.308) 4.796 21.526 ( -6.890 -3.978 -4.896) 9.341 26.451 ( -3.996 -2.307 43.799) 44.042 28.923 ( -29.759 -17.181 -3.501) 34.541 ======================= Grid point 1398 (154/288) ======================= q-point: ( 0.43 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.324 ( 11.657 6.730 30.251) 33.111 11.198 ( 23.231 13.412 -3.268) 27.023 13.531 ( 10.525 6.076 -21.770) 24.933 14.548 ( -15.001 -8.661 -61.481) 63.874 18.644 ( 33.261 19.203 29.088) 48.178 20.575 ( 17.135 9.893 -0.064) 19.786 20.846 ( -0.462 -0.267 3.840) 3.877 20.995 ( 6.889 3.978 2.597) 8.368 21.278 ( -2.113 -1.220 -2.969) 3.843 21.388 ( -4.485 -2.590 -3.521) 6.263 26.475 ( 6.911 3.990 34.271) 35.188 28.195 ( -31.572 -18.228 2.171) 36.521 ======================= Grid point 1399 (155/288) ======================= q-point: ( 0.48 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.507 ( 3.888 2.245 29.975) 30.309 11.604 ( 9.727 5.616 -9.806) 14.911 13.696 ( 3.486 2.012 -21.722) 22.092 14.266 ( -7.184 -4.148 -58.537) 59.122 19.178 ( 11.512 6.646 26.317) 29.484 20.841 ( -0.059 -0.034 3.644) 3.644 20.846 ( 6.720 3.880 0.421) 7.771 21.110 ( 2.055 1.186 6.706) 7.113 21.243 ( -0.772 -0.446 -2.740) 2.882 21.315 ( -1.953 -1.128 -1.543) 2.733 26.783 ( 17.767 10.258 22.356) 30.343 27.484 ( -26.575 -15.343 9.920) 32.250 ======================= Grid point 1411 (156/288) ======================= q-point: ( 0.05 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.806 ( 19.414 33.626 52.466) 65.271 5.404 ( 27.024 46.807 53.983) 76.389 8.180 ( 17.301 29.966 103.414) 109.049 9.252 ( 11.834 20.496 -26.061) 35.204 9.820 ( 25.578 44.302 -26.436) 57.582 18.078 ( -2.797 -4.845 -76.117) 76.322 21.148 ( -0.822 -1.424 6.100) 6.317 21.360 ( 3.862 6.689 4.021) 8.707 21.703 ( -3.996 -6.921 3.552) 8.746 21.881 ( 0.629 1.090 -5.309) 5.456 27.887 ( -4.369 -7.567 43.443) 44.313 31.394 ( -2.618 -4.535 -21.589) 22.215 ======================= Grid point 1412 (157/288) ======================= q-point: ( 0.10 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.626 ( 28.952 40.251 45.765) 67.475 6.331 ( 30.457 31.354 60.293) 74.471 9.116 ( 43.113 47.249 77.295) 100.328 9.780 ( 19.076 28.562 -23.852) 41.816 10.925 ( 44.874 46.662 -26.666) 70.015 17.959 ( -4.463 -5.236 -73.307) 73.630 21.116 ( -1.210 -1.175 6.230) 6.455 21.445 ( -3.850 2.514 4.879) 6.704 21.604 ( 4.501 -7.028 4.321) 9.398 21.909 ( -0.957 5.049 -5.027) 7.189 27.697 ( -7.469 -8.596 45.920) 47.311 31.259 ( -5.878 -7.504 -21.085) 23.139 ======================= Grid point 1413 (158/288) ======================= q-point: ( 0.14 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.592 ( 31.222 42.725 40.356) 66.549 7.135 ( 29.888 24.432 60.644) 71.888 10.387 ( 31.726 32.179 -6.768) 45.692 10.660 ( 51.816 53.924 40.181) 84.895 12.278 ( 54.176 43.050 -29.023) 75.038 17.831 ( -3.967 -4.181 -67.679) 67.924 21.082 ( -1.311 -1.374 6.144) 6.431 21.324 ( -7.255 -1.658 8.919) 11.616 21.645 ( 4.385 -6.062 -1.668) 7.665 21.954 ( -1.375 7.366 -4.315) 8.647 27.460 ( -9.027 -8.927 48.918) 50.538 31.032 ( -9.125 -10.934 -18.987) 23.735 ======================= Grid point 1414 (159/288) ======================= q-point: ( 0.19 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.558 ( 29.647 39.436 37.214) 61.798 7.925 ( 30.758 26.372 51.033) 65.161 11.171 ( 23.946 33.322 -22.083) 46.599 12.309 ( 66.627 51.797 45.005) 95.643 13.630 ( 51.685 34.016 -36.081) 71.626 17.772 ( 1.440 -0.042 -56.582) 56.600 21.037 ( -1.669 -2.507 6.221) 6.911 21.188 ( -6.762 -0.313 8.523) 10.884 21.621 ( -0.522 -4.449 -3.731) 5.830 21.984 ( -2.742 4.226 -5.124) 7.185 27.203 ( -9.379 -9.253 51.374) 53.036 30.713 ( -12.274 -14.543 -15.985) 24.853 ======================= Grid point 1415 (160/288) ======================= q-point: ( 0.24 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.424 ( 27.844 30.966 34.186) 53.878 8.757 ( 28.891 32.475 38.710) 58.204 11.917 ( 21.237 33.842 -22.073) 45.646 13.990 ( 66.292 44.930 39.131) 89.132 14.683 ( 34.357 18.457 -50.440) 63.760 17.964 ( 17.157 9.804 -36.824) 41.791 20.969 ( -2.298 -3.684 6.454) 7.779 21.082 ( -6.205 2.043 6.445) 9.177 21.553 ( -3.004 -2.117 -4.142) 5.537 21.932 ( -5.761 0.425 -6.163) 8.447 26.942 ( -9.094 -10.024 52.227) 53.952 30.301 ( -15.624 -18.181 -12.695) 27.126 ======================= Grid point 1416 (161/288) ======================= q-point: ( 0.29 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.178 ( 25.080 25.015 28.643) 45.554 9.580 ( 25.179 34.378 28.830) 51.449 12.593 ( 16.741 32.173 -21.926) 42.381 15.078 ( 9.338 3.460 -54.880) 55.777 15.627 ( 61.241 36.028 26.371) 75.789 18.604 ( 36.126 19.628 -16.971) 44.479 20.892 ( -2.075 -3.215 5.284) 6.524 21.007 ( -5.588 3.580 5.129) 8.387 21.478 ( -3.954 -0.375 -4.185) 5.770 21.799 ( -8.079 -1.805 -6.159) 10.318 26.682 ( -7.977 -10.840 50.863) 52.614 29.789 ( -19.364 -21.694 -9.290) 30.527 ======================= Grid point 1417 (162/288) ======================= q-point: ( 0.33 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.809 ( 18.938 21.869 24.760) 38.079 10.340 ( 22.429 32.078 18.219) 43.174 13.149 ( 10.801 28.387 -22.215) 37.629 15.028 ( -8.567 -6.354 -64.505) 65.381 17.022 ( 55.722 30.569 31.601) 70.979 19.506 ( 39.674 19.255 -7.251) 44.692 20.842 ( -0.214 -2.124 3.067) 3.737 20.962 ( -4.400 5.327 4.637) 8.321 21.407 ( -4.251 0.594 -4.206) 6.009 21.627 ( -8.591 -2.035 -5.057) 10.175 26.458 ( -4.353 -10.333 46.843) 48.166 29.175 ( -23.192 -24.785 -5.504) 34.387 ======================= Grid point 1418 (163/288) ======================= q-point: ( 0.38 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.281 ( 10.413 19.308 23.812) 32.377 11.019 ( 19.213 27.881 6.525) 34.482 13.540 ( 4.274 21.587 -23.628) 32.288 14.740 ( -14.722 -6.321 -60.828) 62.903 18.176 ( 43.322 22.217 30.427) 57.413 20.274 ( 27.482 9.908 -1.680) 29.262 20.852 ( 2.787 0.001 1.857) 3.348 20.972 ( -1.146 6.990 3.790) 8.033 21.336 ( -4.200 -0.511 -4.175) 5.945 21.477 ( -6.985 1.190 -3.386) 7.853 26.359 ( 4.381 -6.703 39.321) 40.128 28.473 ( -26.035 -26.864 -0.740) 37.417 ======================= Grid point 1419 (164/288) ======================= q-point: ( 0.43 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.567 ( 1.542 16.082 23.967) 28.904 11.552 ( 10.845 21.934 -2.786) 24.627 13.727 ( -0.944 9.223 -28.554) 30.021 14.453 ( -13.785 3.166 -52.448) 54.322 18.957 ( 24.204 11.663 27.908) 38.739 20.642 ( 11.328 -1.833 1.433) 11.564 20.932 ( 2.599 5.892 3.406) 7.285 21.060 ( 3.022 4.046 3.641) 6.226 21.240 ( -3.541 -4.301 -3.131) 6.391 21.421 ( -4.744 6.675 -2.107) 8.456 26.516 ( 17.664 0.006 28.129) 33.215 27.733 ( -25.540 -26.740 5.821) 37.433 ======================= Grid point 1420 (165/288) ======================= q-point: ( 0.48 0.05 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.663 ( -6.862 11.885 24.095) 27.729 11.776 ( -6.860 11.882 -6.315) 15.103 13.745 ( -0.586 1.016 -33.837) 33.857 14.351 ( -8.157 14.128 -45.656) 48.483 19.234 ( 0.662 -1.146 25.972) 26.006 20.721 ( 3.770 -6.530 2.148) 7.841 21.021 ( -3.549 6.148 5.627) 9.059 21.114 ( -0.509 0.881 3.765) 3.901 21.156 ( 3.030 -5.247 -3.077) 6.796 21.413 ( -4.592 7.953 -0.949) 9.233 26.862 ( 4.208 -7.288 18.307) 20.149 27.179 ( 5.557 -9.625 13.080) 17.164 ======================= Grid point 1434 (166/288) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.566 ( 28.895 50.047 40.189) 70.390 6.972 ( 18.428 31.918 60.676) 70.993 10.213 ( 30.901 53.523 32.642) 69.893 10.546 ( 29.033 50.286 4.125) 58.212 11.993 ( 32.774 56.767 -28.306) 71.399 17.845 ( -3.195 -5.534 -68.798) 69.094 21.087 ( -1.049 -1.817 6.618) 6.942 21.416 ( -3.468 -6.006 9.117) 11.455 21.534 ( 0.670 1.160 -0.966) 1.652 22.012 ( 2.537 4.394 -5.574) 7.537 27.495 ( -6.401 -11.086 48.345) 50.012 31.054 ( -7.270 -12.592 -19.158) 24.051 ======================= Grid point 1435 (167/288) ======================= q-point: ( 0.14 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.557 ( 21.109 45.429 42.020) 65.384 7.699 ( 30.861 35.635 46.987) 66.558 11.146 ( 24.289 41.736 -15.078) 50.588 11.869 ( 48.172 62.850 41.629) 89.463 13.179 ( 41.070 44.304 -33.211) 68.939 17.759 ( -1.012 -2.192 -60.199) 60.247 21.039 ( -1.677 -2.818 6.986) 7.718 21.297 ( -5.246 -0.932 8.190) 9.771 21.558 ( 2.111 -2.482 -2.799) 4.295 22.070 ( -1.036 3.720 -6.229) 7.329 27.251 ( -8.006 -11.499 50.620) 52.523 30.746 ( -10.374 -17.037 -16.276) 25.745 ======================= Grid point 1436 (168/288) ======================= q-point: ( 0.19 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.292 ( 22.908 30.035 39.368) 54.559 8.697 ( 27.295 50.306 34.823) 66.995 11.977 ( 19.693 44.761 -19.517) 52.652 13.398 ( 55.730 54.242 40.225) 87.556 14.257 ( 37.119 26.401 -44.135) 63.425 17.821 ( 8.181 5.554 -44.596) 45.679 20.971 ( -2.152 -3.623 6.966) 8.142 21.215 ( -5.312 2.665 6.442) 8.764 21.554 ( 0.172 -2.307 -4.094) 4.702 22.045 ( -4.829 1.729 -6.643) 8.393 26.980 ( -8.621 -12.696 51.833) 54.057 30.342 ( -12.978 -21.758 -13.079) 28.511 ======================= Grid point 1437 (169/288) ======================= q-point: ( 0.24 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.998 ( 24.277 26.201 27.744) 45.228 9.640 ( 20.190 51.713 31.117) 63.640 12.738 ( 13.641 45.712 -20.591) 51.958 14.841 ( 35.910 26.713 -4.553) 44.987 14.998 ( 40.752 23.890 -16.784) 50.132 18.229 ( 26.054 15.962 -24.003) 38.855 20.896 ( -2.143 -3.448 5.776) 7.059 21.159 ( -5.713 5.347 5.145) 9.365 21.521 ( -1.631 -1.484 -4.857) 5.334 21.941 ( -7.981 0.664 -6.309) 10.195 26.691 ( -8.162 -14.568 51.300) 53.950 29.845 ( -15.573 -26.356 -9.888) 32.170 ======================= Grid point 1438 (170/288) ======================= q-point: ( 0.29 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.670 ( 22.584 23.449 16.798) 36.634 10.459 ( 13.696 50.214 27.258) 58.754 13.371 ( 6.317 42.636 -22.247) 48.504 15.060 ( -0.241 -3.395 -61.931) 62.024 16.347 ( 56.320 33.831 32.961) 73.505 19.002 ( 38.055 18.738 -10.430) 43.682 20.831 ( -1.328 -2.866 3.553) 4.754 21.123 ( -5.685 7.692 4.569) 10.600 21.466 ( -2.780 -1.640 -5.427) 6.314 21.794 ( -9.645 1.994 -4.968) 11.031 26.408 ( -5.690 -15.992 48.572) 51.453 29.254 ( -18.428 -30.444 -6.592) 36.193 ======================= Grid point 1439 (171/288) ======================= q-point: ( 0.33 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.254 ( 17.077 21.312 9.260) 28.837 11.153 ( 9.035 46.748 21.284) 52.154 13.798 ( -1.877 31.345 -27.607) 41.811 14.928 ( -9.817 0.151 -56.226) 57.077 17.590 ( 49.355 25.125 32.046) 63.985 19.830 ( 34.631 12.165 -3.740) 36.895 20.800 ( 1.094 -2.074 1.124) 2.600 21.119 ( -4.602 9.338 4.337) 11.278 21.385 ( -3.719 -3.214 -5.629) 7.473 21.665 ( -9.061 6.259 -3.149) 11.454 26.197 ( 0.938 -15.088 42.942) 45.525 28.577 ( -21.127 -33.543 -2.707) 39.734 ======================= Grid point 1440 (172/288) ======================= q-point: ( 0.38 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.686 ( 7.808 19.415 6.546) 21.927 11.731 ( 4.794 41.918 13.192) 44.205 13.898 ( -8.524 6.549 -40.695) 42.091 14.813 ( -13.415 20.035 -39.793) 46.528 18.564 ( 35.840 15.986 30.054) 49.429 20.380 ( 18.742 1.077 1.178) 18.810 20.845 ( 5.965 -1.111 -0.065) 6.068 21.145 ( -2.429 6.288 4.507) 8.109 21.279 ( -4.810 -0.866 -4.547) 6.675 21.612 ( -6.797 10.183 -2.080) 12.418 26.183 ( 13.453 -10.319 33.484) 37.532 27.839 ( -22.230 -34.887 2.532) 41.445 ======================= Grid point 1441 (173/288) ======================= q-point: ( 0.43 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.913 ( -2.898 16.296 6.653) 17.838 12.129 ( -6.695 35.148 7.582) 36.575 13.743 ( -4.057 -6.723 -49.096) 49.720 14.825 ( -17.060 31.870 -29.538) 46.682 19.124 ( 14.081 4.735 27.305) 31.084 20.566 ( 7.279 -5.335 3.587) 9.711 20.962 ( 7.980 -1.621 1.454) 8.272 21.089 ( -2.313 -7.565 1.253) 8.010 21.257 ( -5.028 10.928 0.339) 12.034 21.608 ( -6.310 10.818 -0.938) 12.559 26.476 ( 26.539 -3.906 21.608) 34.445 27.121 ( -17.755 -32.772 9.973) 38.584 ======================= Grid point 1456 (174/288) ======================= q-point: ( 0.14 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.240 ( 17.847 30.911 42.126) 55.214 8.729 ( 31.531 54.614 31.788) 70.621 12.046 ( 26.206 45.391 -16.023) 54.807 13.181 ( 37.589 65.106 38.653) 84.532 14.035 ( 22.049 38.189 -41.895) 60.826 17.778 ( 3.040 5.265 -47.305) 47.694 20.972 ( -2.088 -3.617 7.152) 8.282 21.286 ( -0.113 -0.196 6.792) 6.795 21.530 ( -0.431 -0.747 -4.314) 4.399 22.102 ( -0.272 -0.471 -7.033) 7.054 26.991 ( -8.053 -13.948 51.561) 54.018 30.342 ( -12.998 -22.514 -13.089) 29.106 ======================= Grid point 1457 (175/288) ======================= q-point: ( 0.19 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.882 ( 20.176 28.854 29.210) 45.748 9.810 ( 25.834 56.207 28.907) 68.280 12.953 ( 20.336 49.841 -16.910) 56.423 14.501 ( 42.165 53.326 35.471) 76.680 14.675 ( 19.408 14.457 -53.021) 58.283 18.027 ( 14.497 15.109 -29.294) 36.008 20.898 ( -2.092 -3.554 6.085) 7.351 21.287 ( -2.207 4.305 5.336) 7.203 21.513 ( -0.177 -2.078 -5.379) 5.769 22.057 ( -4.015 -0.356 -6.686) 7.807 26.685 ( -9.085 -16.227 51.229) 54.500 29.834 ( -15.306 -27.868 -9.934) 33.310 ======================= Grid point 1458 (176/288) ======================= q-point: ( 0.24 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.530 ( 21.064 26.204 16.129) 37.289 10.765 ( 16.737 56.751 26.441) 64.807 13.736 ( 8.613 50.749 -19.924) 55.196 14.958 ( 8.734 -1.333 -59.926) 60.573 15.795 ( 47.117 41.333 34.720) 71.651 18.596 ( 28.461 19.468 -13.948) 37.196 20.828 ( -1.783 -3.280 3.999) 5.471 21.293 ( -4.030 7.456 3.850) 9.309 21.475 ( -1.110 -3.140 -5.631) 6.542 21.969 ( -6.586 2.168 -5.352) 8.759 26.350 ( -8.202 -18.771 49.259) 53.349 29.236 ( -17.104 -32.965 -6.914) 37.776 ======================= Grid point 1459 (177/288) ======================= q-point: ( 0.29 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.147 ( 19.610 23.413 4.216) 30.830 11.554 ( 7.952 55.329 23.413) 60.603 14.203 ( -6.498 31.578 -33.389) 46.414 15.066 ( 2.178 11.275 -47.339) 48.712 16.999 ( 47.267 30.169 33.772) 65.459 19.345 ( 33.989 14.428 -5.600) 37.347 20.772 ( -0.692 -3.000 1.362) 3.367 21.284 ( -4.680 4.441 0.245) 6.456 21.422 ( -2.666 0.737 -2.638) 3.822 21.885 ( -7.448 6.494 -3.687) 10.547 26.037 ( -3.754 -20.005 45.104) 49.483 28.561 ( -18.771 -37.179 -3.709) 41.813 ======================= Grid point 1460 (178/288) ======================= q-point: ( 0.33 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.681 ( 14.735 20.680 -4.861) 25.854 12.183 ( 1.588 52.088 18.801) 55.400 14.146 ( -15.099 1.042 -47.950) 50.282 15.306 ( -6.655 38.768 -28.359) 48.492 18.051 ( 41.643 20.267 32.227) 56.422 19.997 ( 26.821 4.151 -0.065) 27.140 20.753 ( 2.165 -2.734 -1.148) 3.671 21.200 ( -3.927 -5.295 -3.293) 7.369 21.421 ( -4.261 10.699 1.867) 11.666 21.845 ( -6.896 10.366 -2.443) 12.688 25.855 ( 6.566 -17.914 37.702) 42.255 27.824 ( -19.832 -39.780 0.343) 44.451 ======================= Grid point 1461 (179/288) ======================= q-point: ( 0.38 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.060 ( 5.406 17.400 -9.564) 20.578 12.682 ( -3.607 49.027 14.058) 51.130 13.812 ( -15.304 -9.409 -49.260) 52.434 15.538 ( -16.953 45.744 -22.832) 53.863 18.832 ( 27.212 10.269 29.813) 41.650 20.338 ( 13.074 -4.997 4.810) 14.800 20.801 ( 6.476 -3.279 -2.575) 7.702 21.057 ( -3.554 -8.879 -1.763) 9.725 21.469 ( -4.762 13.307 2.550) 14.362 21.843 ( -6.640 11.843 -1.274) 13.637 25.951 ( 22.242 -12.033 26.722) 36.791 27.071 ( -18.517 -39.737 6.183) 44.274 ======================= Grid point 1462 (180/288) ======================= q-point: ( 0.43 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.201 ( -6.834 11.837 -10.622) 17.310 12.963 ( -25.782 44.656 18.377) 54.741 13.560 ( 5.260 -9.110 -55.336) 56.327 15.623 ( -25.410 44.012 -21.751) 55.279 19.141 ( 2.026 -3.509 27.986) 28.278 20.417 ( 5.469 -9.472 7.410) 13.212 20.885 ( 4.546 -7.874 -5.614) 10.686 20.931 ( 2.653 -4.595 2.057) 5.691 21.500 ( -7.021 12.161 2.692) 14.298 21.844 ( -6.892 11.937 -0.548) 13.795 26.330 ( 10.020 -17.355 16.406) 25.899 26.458 ( 13.918 -24.106 13.712) 31.030 ======================= Grid point 1479 (181/288) ======================= q-point: ( 0.19 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.476 ( 16.894 29.262 16.417) 37.565 10.923 ( 29.893 51.776 24.870) 64.753 13.964 ( 27.637 47.868 -14.838) 57.231 14.826 ( 1.163 2.015 -61.350) 61.394 15.586 ( 30.068 52.079 34.509) 69.334 18.437 ( 14.236 24.658 -15.749) 32.538 20.827 ( -1.951 -3.379 4.167) 5.708 21.384 ( 2.834 4.908 4.752) 7.396 21.455 ( -2.137 -3.701 -6.866) 8.087 22.042 ( -0.526 -0.910 -5.555) 5.653 26.325 ( -10.829 -18.756 49.384) 53.924 29.215 ( -18.799 -32.560 -6.927) 38.230 ======================= Grid point 1480 (182/288) ======================= q-point: ( 0.24 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.067 ( 17.658 26.375 3.585) 31.942 11.886 ( 18.803 51.486 19.998) 58.346 14.632 ( -10.568 19.757 -44.080) 49.448 15.016 ( 24.586 24.476 -30.685) 46.316 16.623 ( 33.969 39.857 33.228) 62.020 18.998 ( 22.523 19.423 -6.935) 30.539 20.761 ( -1.606 -3.308 1.586) 4.005 21.349 ( -4.100 -5.248 -7.014) 9.672 21.493 ( 1.367 7.910 3.798) 8.880 22.029 ( -2.318 3.572 -4.016) 5.853 25.939 ( -9.148 -21.006 46.013) 51.402 28.514 ( -19.883 -37.515 -4.025) 42.648 ======================= Grid point 1481 (183/288) ======================= q-point: ( 0.29 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.626 ( 16.299 23.559 -8.085) 29.767 12.621 ( 7.945 45.871 11.017) 47.840 14.445 ( -16.037 1.325 -46.421) 49.131 15.744 ( 9.814 47.328 -19.239) 52.023 17.588 ( 35.685 27.906 32.626) 55.827 19.575 ( 25.357 7.878 -1.098) 26.576 20.707 ( -0.394 -3.367 -1.252) 3.613 21.204 ( -4.485 -7.820 -6.703) 11.234 21.594 ( -1.268 11.624 3.904) 12.328 22.035 ( -3.456 7.742 -2.738) 8.909 25.612 ( -2.187 -21.057 40.336) 45.554 27.757 ( -20.142 -41.157 -0.782) 45.828 ======================= Grid point 1482 (184/288) ======================= q-point: ( 0.33 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.102 ( 11.188 20.697 -17.059) 29.061 13.099 ( 3.115 28.566 -9.832) 30.371 14.166 ( -21.978 12.295 -24.344) 35.026 16.277 ( -7.241 51.993 -18.984) 55.822 18.422 ( 31.947 16.268 31.627) 47.807 19.999 ( 19.279 -4.069 4.302) 20.168 20.686 ( 2.305 -3.833 -3.875) 5.918 21.035 ( -4.536 -9.478 -4.934) 11.608 21.682 ( -3.309 13.370 3.881) 14.310 22.060 ( -4.459 10.197 -1.587) 11.242 25.488 ( 11.934 -17.444 31.287) 37.757 26.979 ( -19.059 -42.318 3.606) 46.552 ======================= Grid point 1483 (185/288) ======================= q-point: ( 0.38 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.402 ( 0.104 16.130 -21.669) 27.014 13.318 ( 7.476 -3.167 -46.867) 47.565 13.970 ( -29.699 40.951 13.777) 52.430 16.545 ( -21.873 50.986 -19.113) 58.680 18.973 ( 16.232 3.107 29.863) 34.131 20.172 ( 10.375 -11.412 9.731) 18.236 20.711 ( 5.494 -5.549 -6.198) 9.970 20.871 ( -2.305 -8.382 -3.104) 9.231 21.741 ( -5.538 12.961 3.851) 14.611 22.076 ( -5.781 10.697 -0.475) 12.168 25.707 ( 29.414 -11.657 19.975) 37.417 26.253 ( -14.768 -39.339 10.254) 43.252 ======================= Grid point 1501 (186/288) ======================= q-point: ( 0.24 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.600 ( 14.837 25.699 -8.715) 30.928 12.789 ( 20.069 34.761 4.911) 40.438 14.626 ( -2.444 -4.233 -44.707) 44.974 15.885 ( 26.260 45.483 -11.849) 53.839 17.419 ( 21.911 37.951 30.108) 53.168 19.369 ( 9.534 16.514 -1.334) 19.116 20.694 ( -1.823 -3.158 -1.232) 3.849 21.204 ( -4.731 -8.194 -7.560) 12.111 21.670 ( 4.972 8.612 4.121) 10.764 22.107 ( 2.314 4.007 -2.768) 5.392 25.521 ( -10.968 -18.997 41.209) 46.684 27.721 ( -23.026 -39.882 -1.101) 46.064 ======================= Grid point 1502 (187/288) ======================= q-point: ( 0.29 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.105 ( 13.553 23.363 -19.739) 33.453 13.218 ( 2.748 8.894 -28.121) 29.622 14.643 ( -5.121 22.469 -8.091) 24.424 16.732 ( 15.004 46.919 -11.930) 50.684 18.149 ( 22.199 27.135 27.963) 44.845 19.657 ( 13.164 -0.043 4.086) 13.784 20.636 ( -0.742 -3.556 -4.121) 5.494 21.024 ( -5.203 -9.539 -6.547) 12.685 21.830 ( 1.580 11.030 4.181) 11.901 22.187 ( 0.233 6.866 -1.616) 7.058 25.213 ( -1.556 -17.087 34.086) 38.161 26.905 ( -21.646 -41.699 2.364) 47.042 ======================= Grid point 1503 (188/288) ======================= q-point: ( 0.33 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.527 ( 7.209 21.016 -27.927) 35.687 13.171 ( -1.087 -12.685 -49.814) 51.415 14.829 ( -14.895 43.087 17.847) 48.958 17.328 ( -4.451 49.516 -15.327) 52.024 18.714 ( 17.549 12.175 28.862) 35.905 19.825 ( 13.479 -13.016 9.570) 21.040 20.600 ( 1.302 -4.330 -6.670) 8.058 20.838 ( -4.164 -9.425 -5.438) 11.651 21.943 ( -2.210 11.902 4.413) 12.885 22.246 ( -2.268 7.816 -0.408) 8.148 25.171 ( 15.187 -13.019 24.455) 31.594 26.135 ( -17.682 -39.376 7.228) 43.765 ======================= Grid point 1504 (189/288) ======================= q-point: ( 0.38 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.716 ( -8.343 14.451 -31.033) 35.235 13.071 ( 8.364 -14.487 -53.927) 56.461 14.925 ( -25.754 44.608 23.837) 56.757 17.547 ( -26.143 45.282 -17.652) 55.186 18.947 ( 2.905 -5.032 30.122) 30.678 19.875 ( 10.113 -17.517 12.832) 23.954 20.592 ( 2.938 -5.088 -8.175) 10.067 20.738 ( 2.817 -4.880 -5.234) 7.691 21.986 ( -6.164 10.676 4.554) 13.141 22.265 ( -4.315 7.473 0.231) 8.632 25.422 ( 13.181 -22.831 15.594) 30.630 25.588 ( 9.980 -17.285 13.624) 24.166 ======================= Grid point 1524 (190/288) ======================= q-point: ( 0.29 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.571 ( 12.684 21.969 -30.044) 39.321 13.114 ( -7.819 -13.543 -49.726) 52.127 15.216 ( 15.933 27.597 17.416) 36.315 17.604 ( 21.897 37.926 -6.584) 44.286 18.668 ( 12.700 21.998 19.995) 32.327 19.579 ( -3.908 -6.769 10.630) 13.194 20.568 ( -1.650 -2.858 -6.733) 7.498 20.826 ( -5.481 -9.493 -6.062) 12.526 22.030 ( 4.779 8.277 4.407) 10.525 22.306 ( 2.674 4.632 -0.322) 5.358 24.961 ( -3.693 -6.396 26.487) 27.497 26.088 ( -21.630 -37.464 6.183) 43.699 ======================= Grid point 1525 (191/288) ======================= q-point: ( 0.33 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.960 ( 3.323 21.371 -37.432) 43.231 12.820 ( -2.059 -19.849 -50.786) 54.566 15.623 ( -5.395 30.765 23.303) 38.970 18.242 ( 2.863 39.074 -10.786) 40.637 18.909 ( -4.363 6.716 22.400) 23.788 19.474 ( 10.897 -20.959 14.482) 27.708 20.530 ( 0.206 -1.804 -8.078) 8.279 20.665 ( -1.795 -7.346 -6.362) 9.883 22.152 ( -0.847 8.049 4.634) 9.326 22.370 ( -0.633 4.175 0.698) 4.280 24.985 ( 12.358 -4.393 18.680) 22.825 25.429 ( -12.651 -28.246 11.162) 32.901 ======================= Grid point 1546 (192/288) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 12.396 ( -10.634 -18.418 -45.281) 50.027 12.396 ( 10.634 18.418 -45.281) 50.027 15.958 ( -0.000 -0.000 24.034) 24.034 18.811 ( -0.000 -0.000 -22.474) 22.474 19.032 ( -7.300 -12.644 24.353) 28.394 19.032 ( 7.300 12.644 24.353) 28.394 20.548 ( -1.819 -3.151 -7.389) 8.236 20.548 ( 1.819 3.151 -7.389) 8.236 22.241 ( -0.000 -0.000 4.580) 4.580 22.413 ( -0.000 -0.000 1.166) 1.166 25.033 ( -5.103 -8.839 14.764) 17.948 25.033 ( 5.103 8.839 14.764) 17.948 ======================= Grid point 1852 (193/288) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.287 ( 0.000 0.000 56.099) 56.099 5.287 ( 0.000 0.000 56.099) 56.099 8.180 ( -0.000 0.000 -35.499) 35.499 8.180 ( 0.000 -0.000 -35.499) 35.499 10.110 ( 0.000 0.000 112.970) 112.970 16.450 ( -0.000 -0.000 -88.831) 88.831 21.318 ( 0.000 -0.000 6.832) 6.832 21.318 ( 0.000 0.000 6.832) 6.832 21.753 ( -0.000 0.000 -6.277) 6.277 21.753 ( 0.000 0.000 -6.277) 6.277 28.899 ( 0.000 0.000 39.755) 39.755 30.994 ( 0.000 -0.000 -26.074) 26.074 ======================= Grid point 1853 (194/288) ======================= q-point: ( 0.05 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.491 ( 16.933 9.776 54.314) 57.727 5.748 ( 36.446 21.042 52.875) 67.579 8.327 ( 12.230 7.061 -35.031) 37.770 8.541 ( 29.721 17.159 -34.858) 48.917 10.178 ( 6.542 3.777 110.790) 111.047 16.428 ( -1.756 -1.014 -87.909) 87.932 21.305 ( -1.016 -0.587 6.954) 7.052 21.373 ( 4.341 2.506 6.235) 8.000 21.748 ( -0.443 -0.256 -4.418) 4.448 21.749 ( -0.403 -0.232 -6.397) 6.413 28.854 ( -3.778 -2.181 40.191) 40.427 30.961 ( -2.809 -1.622 -26.313) 26.512 ======================= Grid point 1854 (195/288) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.050 ( 29.564 17.069 50.085) 60.612 6.815 ( 49.803 28.754 50.593) 76.595 8.739 ( 22.308 12.879 -33.813) 42.507 9.505 ( 50.090 28.920 -33.816) 66.999 10.479 ( 20.767 11.990 100.855) 103.667 16.379 ( -2.095 -1.210 -84.759) 84.793 21.274 ( -1.524 -0.880 7.104) 7.319 21.489 ( 4.312 2.490 5.039) 7.084 21.729 ( -1.387 -0.801 -6.543) 6.736 21.738 ( 0.065 0.038 -0.821) 0.825 28.730 ( -6.528 -3.769 41.451) 42.131 30.865 ( -5.272 -3.044 -26.535) 27.224 ======================= Grid point 1855 (196/288) ======================= q-point: ( 0.14 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.839 ( 36.488 21.066 45.377) 61.921 7.919 ( 41.629 24.035 56.798) 74.409 9.351 ( 29.014 16.751 -32.253) 46.505 10.802 ( 57.991 33.481 -33.225) 74.751 11.229 ( 43.567 25.153 78.110) 92.908 16.352 ( 0.507 0.293 -78.125) 78.127 21.236 ( -1.703 -0.983 6.944) 7.217 21.517 ( -2.123 -1.226 6.343) 6.800 21.680 ( -2.733 -1.578 -6.384) 7.121 21.779 ( 3.084 1.781 -0.905) 3.674 28.556 ( -8.059 -4.653 43.270) 44.260 30.713 ( -7.684 -4.436 -25.889) 27.367 ======================= Grid point 1856 (197/288) ======================= q-point: ( 0.19 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.729 ( 38.410 22.176 41.377) 60.656 8.750 ( 29.780 17.193 62.534) 71.365 10.078 ( 32.128 18.549 -30.723) 48.168 12.143 ( 53.519 30.899 -40.135) 73.687 12.482 ( 60.753 35.076 56.772) 90.245 16.448 ( 8.947 5.165 -65.556) 66.365 21.193 ( -1.993 -1.151 6.423) 6.823 21.422 ( -5.356 -3.092 8.629) 10.617 21.603 ( -3.787 -2.186 -5.874) 7.323 21.834 ( 0.916 0.529 -3.925) 4.065 28.355 ( -9.028 -5.213 45.003) 46.195 30.499 ( -10.563 -6.098 -24.082) 26.995 ======================= Grid point 1857 (198/288) ======================= q-point: ( 0.24 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.618 ( 36.554 21.105 38.423) 57.079 9.376 ( 24.268 14.011 58.873) 65.202 10.838 ( 31.971 18.459 -29.458) 47.230 13.192 ( 33.457 19.316 -54.975) 67.191 14.006 ( 67.023 38.696 45.541) 89.797 16.847 ( 26.309 15.190 -45.687) 54.866 21.140 ( -2.530 -1.461 5.806) 6.500 21.282 ( -6.307 -3.641 9.332) 11.838 21.508 ( -4.093 -2.363 -5.275) 7.082 21.809 ( -3.016 -1.741 -6.536) 7.406 28.129 ( -10.240 -5.912 45.848) 47.348 30.210 ( -14.128 -8.157 -21.414) 26.920 ======================= Grid point 1858 (199/288) ======================= q-point: ( 0.29 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.430 ( 32.053 18.506 36.429) 51.932 9.918 ( 22.027 12.717 48.809) 55.038 11.562 ( 29.069 16.783 -28.561) 44.072 13.694 ( 10.239 5.911 -65.039) 66.105 15.575 ( 65.268 37.682 38.244) 84.513 17.683 ( 42.947 24.795 -27.503) 56.706 21.075 ( -2.885 -1.666 5.374) 6.323 21.135 ( -5.948 -3.434 8.648) 11.044 21.415 ( -3.786 -2.186 -4.843) 6.525 21.701 ( -5.836 -3.369 -7.913) 10.393 27.870 ( -11.732 -6.774 45.250) 47.235 29.830 ( -18.210 -10.513 -18.224) 27.825 ======================= Grid point 1859 (200/288) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.115 ( 25.863 14.932 35.152) 46.125 10.417 ( 20.380 11.766 35.960) 42.976 12.191 ( 24.044 13.882 -28.018) 39.444 13.755 ( -3.418 -1.973 -65.389) 65.508 17.043 ( 58.676 33.877 33.900) 75.761 18.762 ( 46.413 26.797 -18.286) 56.627 21.010 ( -2.542 -1.467 5.108) 5.891 21.013 ( -4.101 -2.368 7.108) 8.541 21.331 ( -3.291 -1.900 -4.544) 5.924 21.550 ( -6.631 -3.829 -7.954) 11.041 27.582 ( -12.371 -7.142 42.857) 45.175 29.352 ( -22.249 -12.845 -14.503) 29.501 ======================= Grid point 1860 (201/288) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.641 ( 18.762 10.833 34.344) 40.607 10.874 ( 18.236 10.528 22.477) 30.800 12.684 ( 17.635 10.182 -27.722) 34.397 13.591 ( -9.571 -5.526 -60.287) 61.291 18.305 ( 47.608 27.486 30.731) 62.979 19.774 ( 37.638 21.730 -13.812) 45.602 20.960 ( -1.638 -0.945 4.816) 5.174 20.961 ( 0.334 0.193 5.185) 5.199 21.260 ( -2.679 -1.547 -4.196) 5.213 21.406 ( -5.245 -3.028 -6.633) 8.982 27.310 ( -10.024 -5.787 38.079) 39.799 28.790 ( -25.191 -14.544 -9.806) 30.697 ======================= Grid point 1861 (202/288) ======================= q-point: ( 0.43 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.996 ( 11.303 6.526 33.839) 36.269 11.264 ( 14.394 8.310 10.302) 19.555 13.017 ( 10.612 6.127 -27.548) 30.151 13.344 ( -10.520 -6.074 -53.653) 55.011 19.237 ( 30.391 17.546 27.324) 44.476 20.445 ( 18.274 10.550 -10.681) 23.650 20.933 ( -0.733 -0.423 4.455) 4.535 21.062 ( 8.192 4.729 3.373) 10.042 21.207 ( -1.804 -1.042 -3.788) 4.323 21.322 ( -1.461 -0.844 -3.369) 3.768 27.152 ( -2.488 -1.436 29.968) 30.105 28.188 ( -25.241 -14.573 -3.353) 29.338 ======================= Grid point 1862 (203/288) ======================= q-point: ( 0.48 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.173 ( 3.768 2.175 33.582) 33.863 11.517 ( 6.150 3.551 2.356) 7.482 13.146 ( -5.092 -2.940 -48.598) 48.953 13.183 ( 3.520 2.032 -27.452) 27.752 19.703 ( 9.372 5.411 23.547) 25.915 20.691 ( 4.456 2.573 -10.429) 11.629 20.923 ( -0.176 -0.102 4.186) 4.191 21.178 ( -0.643 -0.371 -3.497) 3.575 21.251 ( 5.908 3.411 2.792) 7.371 21.327 ( 0.254 0.146 2.536) 2.552 27.221 ( 7.922 4.574 18.949) 21.042 27.650 ( -18.616 -10.748 5.429) 22.171 ======================= Grid point 1874 (204/288) ======================= q-point: ( 0.05 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.889 ( 16.305 28.241 51.235) 60.733 6.488 ( 27.406 47.468 50.456) 74.499 8.621 ( 12.283 21.274 -34.066) 41.999 9.189 ( 25.816 44.714 -34.190) 61.926 10.363 ( 9.116 15.789 104.756) 106.331 16.392 ( -1.290 -2.235 -85.875) 85.914 21.287 ( -0.676 -1.171 7.187) 7.313 21.453 ( 2.662 4.611 4.805) 7.172 21.721 ( -1.243 -2.152 -1.326) 2.817 21.758 ( 0.599 1.038 -6.508) 6.618 28.769 ( -3.426 -5.934 41.032) 41.600 30.896 ( -2.732 -4.732 -26.517) 27.074 ======================= Grid point 1875 (205/288) ======================= q-point: ( 0.10 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.594 ( 25.411 35.302 46.707) 63.824 7.512 ( 35.747 36.547 53.356) 73.895 9.166 ( 19.831 28.406 -32.265) 47.341 10.285 ( 43.455 45.924 -34.168) 71.867 10.892 ( 26.418 29.606 88.442) 96.935 16.353 ( -0.692 -0.907 -81.021) 81.029 21.258 ( -1.480 -0.878 7.244) 7.445 21.521 ( 0.896 0.493 2.747) 2.931 21.664 ( -1.243 -4.187 1.013) 4.484 21.798 ( 0.869 4.373 -5.268) 6.901 28.620 ( -5.794 -6.801 42.538) 43.466 30.769 ( -5.177 -6.486 -26.175) 27.459 ======================= Grid point 1876 (206/288) ======================= q-point: ( 0.14 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.460 ( 28.536 39.001 42.445) 64.319 8.405 ( 30.734 22.697 59.932) 71.074 9.868 ( 23.136 33.394 -30.172) 50.604 11.569 ( 49.671 40.035 -36.562) 73.531 11.915 ( 46.709 41.678 64.883) 90.159 16.381 ( 3.834 3.072 -71.560) 71.729 21.218 ( -1.924 -0.990 6.880) 7.213 21.480 ( -4.094 -2.039 5.743) 7.342 21.603 ( -0.617 -4.642 -2.094) 5.129 21.858 ( -0.042 4.385 -4.912) 6.585 28.432 ( -7.183 -7.499 44.254) 45.457 30.579 ( -7.534 -8.921 -24.757) 27.372 ======================= Grid point 1877 (207/288) ======================= q-point: ( 0.19 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.359 ( 27.587 38.572 39.382) 61.642 9.092 ( 25.594 16.786 59.568) 66.972 10.636 ( 23.272 35.669 -28.680) 51.346 12.749 ( 41.667 27.044 -48.129) 69.166 13.309 ( 58.787 45.082 50.162) 89.468 16.612 ( 15.970 11.457 -55.051) 58.455 21.168 ( -2.325 -1.627 6.367) 6.971 21.363 ( -6.095 -2.194 8.027) 10.315 21.538 ( -2.152 -3.407 -4.037) 5.704 21.865 ( -3.023 1.812 -6.366) 7.276 28.214 ( -8.186 -8.706 45.466) 47.010 30.317 ( -10.161 -12.056 -22.379) 27.376 ======================= Grid point 1878 (208/288) ======================= q-point: ( 0.24 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.188 ( 24.532 32.084 38.061) 55.496 9.692 ( 22.460 19.258 50.842) 58.824 11.394 ( 20.836 35.436 -27.868) 49.663 13.502 ( 21.021 10.911 -60.897) 65.340 14.841 ( 62.663 42.309 41.208) 86.109 17.229 ( 34.534 21.969 -34.806) 53.728 21.100 ( -2.804 -2.895 6.136) 7.341 21.234 ( -6.738 -0.369 7.899) 10.389 21.461 ( -3.306 -2.056 -4.590) 6.018 21.789 ( -6.147 -0.361 -7.608) 9.787 27.963 ( -9.214 -10.590 45.526) 47.641 29.970 ( -13.241 -15.594 -19.428) 28.213 ======================= Grid point 1879 (209/288) ======================= q-point: ( 0.29 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.860 ( 21.909 19.302 36.479) 46.726 10.292 ( 17.946 27.816 39.127) 51.251 12.074 ( 16.352 32.678 -27.716) 45.863 13.757 ( 3.201 1.035 -65.158) 65.245 16.342 ( 60.524 36.810 35.860) 79.398 18.209 ( 45.626 26.048 -21.584) 56.799 21.011 ( -2.991 -4.200 6.021) 7.927 21.129 ( -6.199 2.624 6.614) 9.437 21.382 ( -3.677 -1.163 -4.916) 6.248 21.653 ( -7.916 -1.060 -7.769) 11.142 27.675 ( -9.833 -12.559 44.037) 46.836 29.529 ( -16.615 -19.092 -16.067) 29.978 ======================= Grid point 1880 (210/288) ======================= q-point: ( 0.33 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.372 ( 19.830 9.678 30.424) 37.583 10.867 ( 11.605 32.486 30.890) 46.305 12.618 ( 10.546 26.234 -28.767) 40.336 13.712 ( -6.723 -0.432 -60.685) 61.058 17.697 ( 53.531 29.867 32.327) 69.301 19.270 ( 43.942 22.460 -15.402) 51.697 20.926 ( -1.358 -3.867 5.006) 6.470 21.070 ( -4.952 5.053 5.635) 9.045 21.308 ( -3.464 -1.072 -5.239) 6.371 21.505 ( -7.853 0.195 -6.600) 10.260 27.374 ( -8.550 -13.408 40.566) 43.571 28.997 ( -19.635 -21.995 -12.037) 31.847 ======================= Grid point 1881 (211/288) ======================= q-point: ( 0.38 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.763 ( 16.319 4.227 23.482) 28.907 11.348 ( 5.155 32.494 24.235) 40.863 12.947 ( 4.108 10.305 -34.033) 35.795 13.580 ( -11.221 9.757 -49.040) 51.245 18.802 ( 40.762 21.134 29.162) 54.393 20.128 ( 30.282 12.552 -11.582) 34.766 20.908 ( 3.240 -1.923 3.519) 5.156 21.062 ( -2.676 7.112 4.584) 8.874 21.242 ( -2.156 -1.466 -4.768) 5.434 21.398 ( -6.018 3.582 -4.394) 8.268 27.133 ( -3.099 -11.609 34.266) 36.312 28.401 ( -20.971 -23.514 -6.687) 32.209 ======================= Grid point 1882 (212/288) ======================= q-point: ( 0.43 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.024 ( 10.334 0.031 19.484) 22.055 11.701 ( -2.249 30.606 17.804) 35.479 12.960 ( -0.146 -9.692 -42.523) 43.614 13.566 ( -12.177 25.621 -34.572) 44.721 19.517 ( 20.962 10.105 25.255) 34.341 20.548 ( 11.631 0.280 -8.467) 14.389 20.980 ( 2.370 3.233 2.285) 4.614 21.105 ( 0.710 0.864 -0.476) 1.216 21.241 ( 2.995 1.964 2.056) 4.130 21.375 ( -3.169 7.250 -2.374) 8.261 27.071 ( 7.494 -6.398 24.427) 26.339 27.809 ( -18.262 -22.392 0.851) 28.907 ======================= Grid point 1883 (213/288) ======================= q-point: ( 0.48 0.05 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.117 ( 2.514 -4.355 18.500) 19.171 11.850 ( -14.633 25.344 14.975) 32.874 12.885 ( 6.226 -10.783 -43.829) 45.563 13.599 ( -15.404 26.681 -30.988) 43.697 19.747 ( 0.546 -0.946 22.757) 22.783 20.640 ( 3.146 -5.448 -7.764) 9.993 21.022 ( -4.097 7.096 0.885) 8.242 21.104 ( 3.037 -5.261 -1.821) 6.341 21.306 ( 0.530 -0.917 6.619) 6.704 21.389 ( -4.394 7.610 -1.171) 8.865 27.215 ( 4.537 -7.859 14.933) 17.474 27.414 ( 5.441 -9.424 8.876) 14.043 ======================= Grid point 1897 (214/288) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.431 ( 26.130 45.258 42.418) 67.307 8.223 ( 18.709 32.405 58.178) 69.172 9.855 ( 21.896 37.924 -29.372) 52.729 11.312 ( 30.594 52.990 -37.184) 71.600 11.711 ( 29.092 50.389 70.000) 91.024 16.364 ( 1.576 2.729 -73.453) 73.520 21.232 ( -1.000 -1.733 7.246) 7.517 21.515 ( -0.666 -1.154 -1.063) 1.704 21.570 ( -2.631 -4.556 5.744) 7.789 21.887 ( 2.093 3.626 -6.314) 7.576 28.457 ( -5.277 -9.141 43.884) 45.135 30.598 ( -5.979 -10.356 -24.860) 27.587 ======================= Grid point 1898 (215/288) ======================= q-point: ( 0.14 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.377 ( 24.234 49.416 38.994) 67.451 8.842 ( 22.118 20.516 58.348) 65.686 10.668 ( 21.992 43.759 -27.046) 55.946 12.370 ( 34.770 37.131 -44.239) 67.415 12.900 ( 43.421 53.851 53.680) 87.560 16.507 ( 8.676 10.143 -60.139) 61.602 21.185 ( -1.911 -2.394 6.964) 7.608 21.447 ( -5.043 -1.049 4.400) 6.775 21.513 ( 0.483 -4.053 0.040) 4.082 21.928 ( -1.011 2.216 -7.298) 7.693 28.249 ( -6.987 -10.548 44.955) 46.702 30.344 ( -8.625 -14.123 -22.592) 28.004 ======================= Grid point 1899 (216/288) ======================= q-point: ( 0.19 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.183 ( 16.005 34.393 43.289) 57.559 9.517 ( 26.527 31.602 45.134) 61.151 11.493 ( 18.118 47.199 -26.040) 56.869 13.209 ( 26.585 17.611 -55.602) 64.097 14.282 ( 51.968 49.535 43.800) 84.100 16.933 ( 23.086 20.257 -41.469) 51.604 21.115 ( -2.620 -3.593 6.714) 8.053 21.349 ( -5.613 0.841 5.661) 8.016 21.475 ( -0.955 -2.764 -2.595) 3.909 21.894 ( -4.575 0.968 -7.905) 9.185 27.994 ( -8.304 -13.024 45.223) 47.789 30.003 ( -11.077 -18.643 -19.768) 29.343 ======================= Grid point 1900 (217/288) ======================= q-point: ( 0.24 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.717 ( 16.429 18.195 40.417) 47.270 10.335 ( 19.599 44.169 35.286) 59.834 12.243 ( 11.899 46.552 -26.443) 54.844 13.652 ( 11.924 4.658 -62.149) 63.453 15.704 ( 55.339 41.864 37.928) 79.079 17.724 ( 38.039 25.909 -25.492) 52.613 21.021 ( -3.150 -4.545 6.182) 8.294 21.270 ( -5.667 3.324 4.869) 8.178 21.422 ( -2.421 -1.773 -3.760) 4.811 21.797 ( -7.350 1.288 -7.607) 10.655 27.691 ( -9.057 -16.141 44.303) 48.013 29.572 ( -13.523 -23.298 -16.685) 31.687 ======================= Grid point 1901 (218/288) ======================= q-point: ( 0.29 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.163 ( 16.593 12.162 30.620) 36.889 11.070 ( 11.534 45.249 30.310) 55.670 12.825 ( 3.914 37.442 -30.168) 48.243 13.799 ( 0.987 6.536 -56.837) 57.220 17.059 ( 53.813 33.324 34.073) 71.884 18.720 ( 43.650 23.539 -16.942) 52.406 20.919 ( -2.697 -4.706 4.955) 7.347 21.217 ( -4.939 4.584 3.250) 7.481 21.355 ( -3.601 -0.841 -3.943) 5.405 21.678 ( -8.524 3.748 -6.225) 11.200 27.354 ( -8.370 -18.784 41.836) 46.617 29.053 ( -15.867 -27.433 -13.252) 34.350 ======================= Grid point 1902 (219/288) ======================= q-point: ( 0.33 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.549 ( 15.156 8.270 20.237) 26.601 11.660 ( 4.542 42.611 24.858) 49.541 13.083 ( -4.945 13.805 -39.190) 41.843 13.916 ( -5.441 26.559 -40.568) 48.793 18.252 ( 46.826 24.499 30.931) 61.234 19.660 ( 37.883 15.520 -12.312) 42.750 20.846 ( 0.031 -4.130 3.347) 5.316 21.185 ( -2.545 1.508 -0.983) 3.117 21.289 ( -4.879 3.686 -0.599) 6.144 21.587 ( -7.955 7.542 -4.415) 11.817 27.037 ( -4.489 -19.415 37.148) 42.155 28.461 ( -17.400 -30.335 -8.948) 36.098 ======================= Grid point 1903 (220/288) ======================= q-point: ( 0.38 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.855 ( 11.495 4.881 11.882) 17.238 12.105 ( -0.465 38.246 17.417) 42.027 12.991 ( -10.662 -0.456 -39.216) 40.642 14.113 ( -11.978 38.946 -30.424) 50.851 19.168 ( 32.580 14.844 27.354) 45.056 20.290 ( 20.574 3.823 -8.524) 22.596 20.860 ( 6.125 -3.174 1.610) 7.084 21.149 ( 0.071 -4.137 -4.745) 6.296 21.283 ( -4.058 10.999 4.770) 12.657 21.557 ( -6.089 10.868 -3.185) 12.858 26.843 ( 4.589 -16.484 29.177) 33.824 27.841 ( -16.486 -31.046 -2.912) 35.272 ======================= Grid point 1904 (221/288) ======================= q-point: ( 0.43 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.035 ( 4.878 0.975 7.438) 8.949 12.434 ( -6.075 36.938 12.869) 39.585 12.763 ( -10.044 -5.392 -35.847) 37.616 14.245 ( -18.903 39.599 -27.750) 51.918 19.659 ( 11.550 4.031 23.418) 26.420 20.507 ( 6.793 -3.612 -6.485) 10.063 20.954 ( 7.223 -5.093 -0.513) 8.853 21.108 ( -0.151 -3.283 -1.015) 3.440 21.344 ( -2.561 9.751 5.935) 11.699 21.576 ( -5.517 11.348 -2.119) 12.795 26.897 ( 16.912 -10.469 18.139) 26.919 27.290 ( -9.796 -27.996 5.664) 30.196 ======================= Grid point 1919 (222/288) ======================= q-point: ( 0.14 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.244 ( 11.780 20.403 53.034) 58.032 9.427 ( 29.400 50.923 34.589) 68.220 11.601 ( 26.851 46.507 -24.827) 59.163 13.035 ( 15.703 27.198 -53.399) 61.950 14.068 ( 34.494 59.745 44.770) 82.241 16.832 ( 13.005 22.526 -44.191) 51.278 21.120 ( -2.286 -3.959 6.907) 8.283 21.433 ( -0.729 -1.262 7.325) 7.468 21.441 ( -1.286 -2.227 -4.218) 4.940 21.943 ( -0.399 -0.692 -8.199) 8.238 27.999 ( -8.039 -13.923 44.996) 47.782 30.003 ( -11.143 -19.300 -19.766) 29.788 ======================= Grid point 1920 (223/288) ======================= q-point: ( 0.19 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.646 ( 12.236 17.555 43.370) 48.362 10.441 ( 25.191 50.857 30.907) 64.624 12.515 ( 18.133 51.860 -24.248) 60.052 13.468 ( 13.570 8.248 -59.628) 61.707 15.306 ( 41.390 50.499 39.092) 76.102 17.435 ( 25.207 28.636 -28.661) 47.716 21.028 ( -2.967 -4.817 6.294) 8.463 21.372 ( -3.592 -0.462 -2.284) 4.281 21.435 ( -0.078 0.211 3.162) 3.170 21.906 ( -3.321 0.400 -7.803) 8.489 27.681 ( -9.699 -17.561 44.153) 48.497 29.560 ( -13.501 -24.668 -16.736) 32.725 ======================= Grid point 1921 (224/288) ======================= q-point: ( 0.24 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.033 ( 13.206 14.241 32.002) 37.434 11.322 ( 16.249 48.963 25.299) 57.458 13.196 ( 0.820 40.953 -32.694) 52.409 13.782 ( 14.035 14.249 -49.054) 52.975 16.538 ( 45.383 39.759 35.402) 69.955 18.264 ( 35.114 26.593 -18.490) 47.771 20.921 ( -3.146 -5.274 4.932) 7.876 21.294 ( -3.325 -3.126 -5.488) 7.138 21.440 ( -2.420 5.278 4.214) 7.174 21.847 ( -5.409 3.606 -6.393) 9.118 27.307 ( -9.909 -21.341 42.217) 48.331 29.027 ( -15.188 -29.857 -13.634) 36.166 ======================= Grid point 1922 (225/288) ======================= q-point: ( 0.29 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.398 ( 13.149 11.242 20.192) 26.590 11.992 ( 7.453 40.378 13.691) 43.282 13.376 ( -8.922 17.436 -37.313) 42.141 14.282 ( 5.458 42.452 -31.136) 52.929 17.697 ( 45.246 29.213 32.480) 62.893 19.153 ( 37.523 18.717 -12.775) 43.835 20.817 ( -2.115 -5.347 3.124) 6.544 21.193 ( -2.720 -5.802 -7.163) 9.610 21.459 ( -4.102 9.868 4.644) 11.652 21.799 ( -6.323 7.651 -4.719) 10.990 26.916 ( -7.409 -23.880 38.712) 46.084 28.422 ( -16.185 -34.051 -10.134) 39.040 ======================= Grid point 1923 (226/288) ======================= q-point: ( 0.33 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.719 ( 11.535 8.540 9.399) 17.156 12.388 ( 2.350 19.530 -11.153) 22.612 13.369 ( -15.259 26.642 -12.918) 33.309 14.747 ( -6.973 49.881 -26.736) 57.022 18.698 ( 38.923 19.310 29.343) 52.430 19.899 ( 29.453 7.881 -8.712) 31.709 20.752 ( 1.272 -5.206 1.294) 5.514 21.091 ( -0.983 -7.131 -6.691) 9.828 21.497 ( -4.865 12.978 4.745) 14.650 21.784 ( -6.127 11.105 -3.465) 13.148 26.595 ( -0.264 -23.470 32.640) 40.203 27.776 ( -15.719 -36.330 -5.489) 39.963 ======================= Grid point 1924 (227/288) ======================= q-point: ( 0.38 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.962 ( 7.128 5.576 1.527) 9.178 12.498 ( 2.723 -3.373 -38.081) 38.327 13.402 ( -22.711 44.343 16.411) 52.454 15.039 ( -17.826 50.028 -25.433) 58.885 19.413 ( 23.808 9.241 25.366) 35.995 20.307 ( 13.577 -1.818 -5.739) 14.851 20.766 ( 6.431 -6.121 -0.401) 8.888 21.020 ( 1.562 -7.783 -3.026) 8.495 21.549 ( -5.086 13.976 4.751) 15.613 21.803 ( -5.848 12.656 -2.528) 14.169 26.477 ( 12.549 -18.917 23.056) 32.356 27.156 ( -11.881 -35.475 1.361) 37.437 ======================= Grid point 1925 (228/288) ======================= q-point: ( 0.43 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.059 ( -0.716 1.240 -1.389) 1.995 12.492 ( 5.585 -9.674 -46.353) 47.681 13.434 ( -28.117 48.699 25.844) 61.888 15.137 ( -26.948 46.675 -25.104) 59.456 19.677 ( 1.530 -2.651 22.756) 22.960 20.405 ( 3.811 -6.601 -5.114) 9.179 20.804 ( 5.253 -9.098 -1.676) 10.639 20.990 ( 4.208 -7.288 0.897) 8.463 21.581 ( -7.199 12.468 4.812) 15.180 21.818 ( -6.999 12.123 -1.914) 14.129 26.639 ( 10.915 -18.905 12.604) 25.207 26.713 ( 13.457 -23.308 10.123) 28.754 ======================= Grid point 1942 (229/288) ======================= q-point: ( 0.19 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.989 ( 9.484 16.427 32.630) 37.742 11.437 ( 25.831 44.741 22.310) 56.273 13.565 ( 28.230 48.895 -22.427) 60.751 13.577 ( 2.769 4.796 -55.987) 56.260 16.330 ( 28.702 49.713 35.687) 67.593 18.080 ( 19.613 33.970 -19.265) 43.701 20.922 ( -3.176 -5.502 4.930) 8.041 21.304 ( -2.932 -5.078 -7.393) 9.436 21.495 ( 2.471 4.280 5.922) 7.713 21.916 ( 0.398 0.689 -6.515) 6.564 27.283 ( -12.245 -21.209 42.240) 48.826 29.005 ( -17.023 -29.484 -13.664) 36.685 ======================= Grid point 1943 (230/288) ======================= q-point: ( 0.24 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.318 ( 10.244 13.729 20.638) 26.821 12.183 ( 12.503 31.066 1.571) 33.524 13.672 ( -1.125 17.282 -33.248) 37.488 14.525 ( 21.300 49.441 -23.217) 58.627 17.325 ( 33.302 37.443 33.008) 60.005 18.793 ( 26.182 24.932 -12.982) 38.414 20.807 ( -3.106 -5.824 2.993) 7.248 21.183 ( -3.603 -6.857 -8.363) 11.399 21.589 ( 0.724 8.377 5.253) 9.914 21.937 ( -1.359 5.000 -4.901) 7.132 26.833 ( -11.645 -24.692 39.298) 47.850 28.368 ( -17.951 -34.448 -10.539) 40.249 ======================= Grid point 1944 (231/288) ======================= q-point: ( 0.29 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.627 ( 10.207 11.371 8.784) 17.625 12.474 ( 0.847 5.399 -29.570) 30.071 13.925 ( -4.549 40.048 1.932) 40.352 15.300 ( 6.549 53.255 -23.442) 58.554 18.254 ( 34.855 25.515 30.388) 52.814 19.473 ( 27.932 12.392 -8.449) 31.704 20.701 ( -1.790 -6.019 0.917) 6.346 21.048 ( -2.862 -7.927 -8.164) 11.734 21.686 ( -1.479 11.723 4.819) 12.760 21.971 ( -2.767 8.831 -3.553) 9.913 26.399 ( -6.902 -26.159 34.652) 43.963 27.682 ( -17.365 -37.912 -6.872) 42.262 ======================= Grid point 1945 (232/288) ======================= q-point: ( 0.33 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.900 ( 8.296 9.283 -1.479) 12.537 12.424 ( -1.815 -8.883 -42.911) 43.858 14.245 ( -14.280 51.790 20.357) 57.450 15.831 ( -8.948 54.658 -23.668) 60.231 19.041 ( 29.923 14.255 27.069) 42.794 19.981 ( 21.202 0.118 -4.849) 21.750 20.632 ( 1.404 -6.483 -0.912) 6.696 20.928 ( -0.957 -8.621 -5.898) 10.489 21.773 ( -3.492 13.588 4.655) 14.782 22.017 ( -3.821 11.274 -2.557) 12.176 26.104 ( 3.934 -23.969 27.123) 36.410 27.004 ( -14.385 -38.577 -1.737) 41.209 ======================= Grid point 1946 (233/288) ======================= q-point: ( 0.38 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.083 ( 2.348 6.250 -7.891) 10.337 12.307 ( 2.390 -11.849 -44.872) 46.471 14.437 ( -24.808 52.777 26.091) 63.888 16.097 ( -22.726 52.380 -23.753) 61.842 19.535 ( 14.251 2.239 23.407) 27.495 20.216 ( 10.280 -7.380 -3.157) 13.042 20.617 ( 4.792 -8.054 -2.197) 9.626 20.844 ( 2.093 -9.027 -1.430) 9.376 21.832 ( -5.765 13.388 4.668) 15.305 22.054 ( -5.478 11.554 -1.712) 12.901 26.094 ( 19.873 -18.106 16.574) 31.582 26.428 ( -7.068 -34.737 6.022) 35.957 ======================= Grid point 1964 (234/288) ======================= q-point: ( 0.24 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.595 ( 7.763 13.446 8.701) 17.799 12.492 ( 0.815 1.411 -34.079) 34.118 14.196 ( 18.700 32.389 4.419) 37.660 15.524 ( 26.777 46.380 -21.337) 57.649 18.065 ( 20.207 35.000 30.191) 50.446 19.269 ( 12.366 21.419 -8.129) 26.035 20.687 ( -3.373 -5.842 0.789) 6.791 21.032 ( -4.391 -7.606 -8.675) 12.344 21.763 ( 4.823 8.354 4.763) 10.759 22.043 ( 3.031 5.250 -3.527) 7.014 26.324 ( -14.055 -24.344 35.293) 45.120 27.639 ( -21.086 -36.521 -7.284) 42.796 ======================= Grid point 1965 (235/288) ======================= q-point: ( 0.29 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.864 ( 7.925 11.817 -2.726) 14.487 12.384 ( -4.885 -10.397 -44.297) 45.763 14.844 ( 6.527 45.613 20.187) 50.306 16.365 ( 11.797 49.724 -21.717) 55.527 18.740 ( 22.555 22.020 26.839) 41.400 19.651 ( 15.288 5.001 -3.843) 16.538 20.576 ( -2.061 -6.059 -1.220) 6.515 20.881 ( -3.418 -8.178 -7.404) 11.550 21.921 ( 1.654 10.943 4.438) 11.924 22.146 ( 0.814 8.114 -2.375) 8.493 25.881 ( -6.946 -23.662 29.446) 38.409 26.901 ( -18.689 -38.000 -3.305) 42.475 ======================= Grid point 1966 (236/288) ======================= q-point: ( 0.33 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.101 ( 5.279 10.496 -12.074) 16.847 12.177 ( -2.854 -13.930 -43.436) 45.704 15.298 ( -10.595 49.019 25.477) 56.251 16.922 ( -7.672 51.032 -22.757) 56.401 19.270 ( 18.588 7.707 23.183) 30.698 19.899 ( 14.540 -8.235 -1.084) 16.745 20.499 ( 0.473 -5.962 -2.414) 6.449 20.749 ( -1.596 -8.691 -4.068) 9.727 22.036 ( -2.042 11.954 4.421) 12.908 22.228 ( -1.806 9.111 -1.374) 9.390 25.651 ( 7.186 -19.583 20.968) 29.576 26.240 ( -12.545 -35.249 2.358) 37.489 ======================= Grid point 1967 (237/288) ======================= q-point: ( 0.38 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.215 ( -3.782 6.550 -16.135) 17.820 12.066 ( 6.444 -11.161 -41.828) 43.769 15.455 ( -25.914 44.884 26.934) 58.408 17.116 ( -26.439 45.793 -23.302) 57.784 19.486 ( 3.940 -6.824 20.909) 22.344 19.990 ( 8.578 -14.857 -0.346) 17.159 20.473 ( 2.907 -5.035 -2.481) 6.322 20.679 ( 3.813 -6.604 -1.610) 7.793 22.081 ( -6.175 10.696 4.491) 13.142 22.260 ( -4.753 8.232 -0.831) 9.541 25.720 ( 12.593 -21.811 12.409) 28.076 25.832 ( 10.659 -18.462 9.275) 23.249 ======================= Grid point 1987 (238/288) ======================= q-point: ( 0.29 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.108 ( 6.953 12.043 -13.551) 19.416 12.130 ( -7.747 -13.417 -42.861) 45.575 15.671 ( 19.397 33.596 24.987) 46.144 17.275 ( 22.023 38.145 -21.610) 49.061 19.137 ( 9.323 16.148 21.282) 28.295 19.683 ( -0.756 -1.309 0.532) 1.603 20.467 ( -2.434 -4.215 -2.422) 5.437 20.719 ( -4.381 -7.589 -4.914) 10.047 22.120 ( 4.799 8.312 4.154) 10.458 22.292 ( 3.409 5.904 -1.148) 6.913 25.481 ( -8.244 -14.279 22.800) 28.137 26.169 ( -18.893 -32.723 1.045) 37.800 ======================= Grid point 1988 (239/288) ======================= q-point: ( 0.33 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.331 ( 2.480 12.077 -22.008) 25.226 11.883 ( -1.924 -14.555 -38.267) 40.987 16.152 ( -4.304 32.245 27.156) 42.376 17.850 ( -3.396 37.863 -23.558) 44.723 19.347 ( 4.070 0.475 16.656) 17.153 19.653 ( 8.367 -15.032 3.205) 17.499 20.421 ( 0.241 -0.953 -1.765) 2.020 20.585 ( -1.304 -7.181 -1.983) 7.563 22.244 ( -0.663 7.822 4.028) 8.823 22.376 ( -0.465 5.153 -0.162) 5.176 25.344 ( 6.828 -9.516 15.187) 19.179 25.620 ( -8.294 -24.109 6.662) 26.352 ======================= Grid point 2009 (240/288) ======================= q-point: ( 0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.594 ( -6.805 -11.787 -30.878) 33.744 11.594 ( 6.805 11.787 -30.878) 33.744 16.503 ( -0.000 -0.000 28.020) 28.020 18.298 ( -0.000 -0.000 -26.596) 26.596 19.387 ( -3.628 -6.283 10.082) 12.422 19.387 ( 3.628 6.283 10.082) 12.422 20.463 ( -2.257 -3.910 -0.838) 4.591 20.463 ( 2.257 3.910 -0.838) 4.591 22.329 ( -0.000 -0.000 3.729) 3.729 22.430 ( -0.000 -0.000 0.399) 0.399 25.303 ( -3.213 -5.564 10.716) 12.494 25.303 ( 3.213 5.564 10.716) 12.494 ======================= Grid point 2315 (241/288) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.392 ( -0.000 -0.000 50.122) 50.122 6.392 ( -0.000 -0.000 50.122) 50.122 7.362 ( 0.000 0.000 -43.200) 43.200 7.362 ( 0.000 -0.000 -43.200) 43.200 12.386 ( 0.000 -0.000 106.078) 106.078 14.507 ( 0.000 0.000 -98.050) 98.050 21.465 ( -0.000 -0.000 7.224) 7.224 21.465 ( 0.000 0.000 7.224) 7.224 21.614 ( 0.000 -0.000 -7.017) 7.017 21.614 ( -0.000 0.000 -7.017) 7.017 29.690 ( 0.000 0.000 36.201) 36.201 30.395 ( 0.000 -0.000 -31.525) 31.525 ======================= Grid point 2316 (242/288) ======================= q-point: ( 0.05 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.567 ( 14.627 8.445 49.062) 51.888 6.800 ( 33.045 19.078 48.234) 61.502 7.520 ( 13.189 7.614 -42.521) 45.166 7.741 ( 30.959 17.874 -42.103) 55.232 12.416 ( 2.909 1.679 104.476) 104.530 14.508 ( 0.244 0.141 -96.798) 96.798 21.455 ( -0.816 -0.471 7.372) 7.432 21.507 ( 3.268 1.887 6.513) 7.527 21.607 ( -0.598 -0.345 -7.164) 7.197 21.638 ( 1.845 1.065 -5.963) 6.332 29.651 ( -3.233 -1.867 36.399) 36.590 30.359 ( -3.011 -1.739 -31.620) 31.810 ======================= Grid point 2317 (243/288) ======================= q-point: ( 0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.056 ( 26.142 15.093 46.390) 55.347 7.821 ( 50.442 29.123 46.222) 74.357 7.963 ( 23.864 13.778 -40.756) 49.197 8.727 ( 50.335 29.061 -40.775) 70.998 12.556 ( 9.944 5.741 98.217) 98.886 14.537 ( 2.849 1.645 -92.316) 92.375 21.428 ( -1.481 -0.855 7.561) 7.752 21.584 ( -1.428 -0.824 -7.350) 7.533 21.595 ( 3.484 2.011 4.991) 6.410 21.687 ( 2.131 1.230 -3.718) 4.459 29.546 ( -5.532 -3.194 36.954) 37.502 30.260 ( -5.230 -3.020 -31.773) 32.342 ======================= Grid point 2318 (244/288) ======================= q-point: ( 0.14 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.763 ( 33.122 19.123 43.142) 57.654 8.614 ( 30.712 17.732 -38.506) 52.349 9.027 ( 48.970 28.273 49.887) 75.406 9.992 ( 54.517 31.475 -42.984) 76.226 12.943 ( 24.334 14.049 84.106) 88.675 14.680 ( 10.335 5.967 -82.546) 83.404 21.386 ( -2.043 -1.179 7.396) 7.763 21.539 ( -2.397 -1.384 -7.185) 7.700 21.638 ( -0.164 -0.095 5.283) 5.287 21.731 ( 1.336 0.771 -3.548) 3.869 29.398 ( -6.959 -4.018 37.640) 38.488 30.117 ( -6.916 -3.993 -31.615) 32.608 ======================= Grid point 2319 (245/288) ======================= q-point: ( 0.19 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.581 ( 35.690 20.606 40.151) 57.537 9.379 ( 33.630 19.416 -36.333) 53.179 10.020 ( 34.324 19.817 58.980) 71.059 11.173 ( 43.431 25.075 -51.573) 71.935 13.747 ( 43.965 25.383 63.226) 81.085 15.086 ( 25.452 14.695 -65.331) 71.637 21.332 ( -2.585 -1.493 6.816) 7.441 21.472 ( -3.206 -1.851 -6.611) 7.577 21.590 ( -3.684 -2.127 7.551) 8.666 21.732 ( -1.576 -0.910 -5.959) 6.230 29.218 ( -8.398 -4.849 37.994) 39.212 29.931 ( -8.963 -5.175 -30.759) 32.454 ======================= Grid point 2320 (246/288) ======================= q-point: ( 0.24 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.415 ( 34.616 19.986 37.824) 55.030 10.171 ( 33.103 19.112 -34.580) 51.544 10.655 ( 20.670 11.934 63.330) 67.678 11.967 ( 23.783 13.731 -62.047) 67.853 14.960 ( 57.159 33.001 45.972) 80.434 15.907 ( 43.685 25.222 -45.257) 67.770 21.265 ( -3.046 -1.759 6.130) 7.068 21.391 ( -3.586 -2.070 -5.932) 7.234 21.475 ( -5.884 -3.397 9.161) 11.405 21.656 ( -4.685 -2.705 -8.162) 9.792 28.996 ( -10.555 -6.094 37.560) 39.488 29.687 ( -11.883 -6.861 -29.084) 32.159 ======================= Grid point 2321 (247/288) ======================= q-point: ( 0.29 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.190 ( 30.788 17.775 36.223) 50.754 10.916 ( 29.803 17.207 -33.359) 47.928 11.046 ( 13.353 7.710 59.033) 61.013 12.337 ( 9.091 5.249 -64.587) 65.435 16.355 ( 59.821 34.538 36.283) 78.025 17.067 ( 52.755 30.458 -32.025) 68.821 21.191 ( -3.178 -1.835 5.659) 6.745 21.307 ( -3.484 -2.011 -5.461) 6.783 21.325 ( -6.542 -3.777 9.532) 12.163 21.522 ( -6.386 -3.687 -9.236) 11.819 28.716 ( -13.255 -7.653 36.077) 39.190 29.366 ( -15.424 -8.905 -26.637) 32.043 ======================= Grid point 2322 (248/288) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.850 ( 25.069 14.473 35.209) 45.581 11.311 ( 9.470 5.467 49.536) 50.728 11.559 ( 24.469 14.127 -32.603) 43.142 12.450 ( 1.319 0.762 -59.543) 59.563 17.721 ( 55.183 31.860 30.859) 70.798 18.308 ( 51.118 29.513 -25.306) 64.222 21.120 ( -2.775 -1.602 5.374) 6.256 21.181 ( -5.354 -3.091 8.884) 10.824 21.230 ( -3.027 -1.748 -5.162) 6.234 21.371 ( -6.094 -3.518 -9.140) 11.535 28.376 ( -15.425 -8.906 33.308) 37.772 28.963 ( -18.702 -10.798 -23.310) 31.776 ======================= Grid point 2323 (249/288) ======================= q-point: ( 0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.362 ( 18.258 10.541 34.577) 40.498 11.502 ( 6.972 4.025 37.842) 38.689 12.059 ( 17.884 10.325 -32.152) 38.213 12.429 ( -2.572 -1.485 -50.899) 50.986 18.907 ( 44.484 25.683 26.897) 57.982 19.409 ( 40.932 23.632 -21.115) 51.766 21.063 ( -1.962 -1.133 5.044) 5.529 21.093 ( -1.512 -0.873 7.330) 7.535 21.166 ( -2.319 -1.339 -4.811) 5.506 21.254 ( -3.383 -1.953 -7.819) 8.740 28.008 ( -15.300 -8.833 28.728) 33.725 28.499 ( -20.306 -11.724 -18.629) 29.947 ======================= Grid point 2324 (250/288) ======================= q-point: ( 0.43 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.642 ( 4.909 2.834 26.293) 26.897 11.707 ( 10.999 6.350 34.177) 36.461 12.350 ( -3.740 -2.159 -41.473) 41.697 12.397 ( 10.767 6.217 -31.871) 34.210 19.757 ( 26.382 15.232 22.421) 37.825 20.161 ( 21.717 12.538 -16.550) 30.046 21.028 ( -1.072 -0.619 4.624) 4.787 21.122 ( -1.444 -0.833 -4.375) 4.681 21.140 ( 5.734 3.310 4.319) 7.905 21.237 ( 2.444 1.411 -4.704) 5.486 27.690 ( -10.741 -6.201 21.457) 24.784 28.035 ( -18.247 -10.535 -11.776) 24.137 ======================= Grid point 2325 (251/288) ======================= q-point: ( 0.48 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.727 ( 2.032 1.173 18.214) 18.365 11.880 ( 3.662 2.114 33.968) 34.230 12.277 ( -1.921 -1.109 -34.529) 34.601 12.566 ( 3.578 2.066 -31.718) 31.986 20.135 ( 6.883 3.974 17.897) 19.583 20.451 ( 4.823 2.785 -12.919) 14.068 21.012 ( -0.325 -0.188 4.308) 4.325 21.099 ( -0.488 -0.282 -4.051) 4.090 21.295 ( 4.893 2.825 2.397) 6.137 21.342 ( 4.113 2.375 -1.408) 4.954 27.542 ( -1.401 -0.809 11.431) 11.545 27.686 ( -10.176 -5.875 -2.408) 11.994 ======================= Grid point 2337 (252/288) ======================= q-point: ( 0.05 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.914 ( 14.321 24.805 47.098) 55.124 7.492 ( 26.323 45.593 45.311) 69.460 7.840 ( 13.604 23.562 -40.162) 48.510 8.407 ( 26.252 45.470 -40.894) 66.551 12.501 ( 4.273 7.401 100.539) 100.902 14.523 ( 1.019 1.765 -93.933) 93.955 21.441 ( -0.597 -1.035 7.424) 7.519 21.544 ( 0.342 0.592 2.060) 2.171 21.625 ( 1.544 2.675 -4.503) 5.460 21.665 ( 0.835 1.447 -3.695) 4.055 29.579 ( -2.923 -5.063 36.770) 37.232 30.291 ( -2.760 -4.781 -31.734) 32.211 ======================= Grid point 2338 (253/288) ======================= q-point: ( 0.10 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.541 ( 22.888 31.692 43.964) 58.831 8.372 ( 24.398 28.087 -23.978) 44.262 8.608 ( 36.417 43.005 32.385) 64.995 9.497 ( 42.141 44.404 -41.328) 73.863 12.763 ( 13.746 15.524 90.260) 92.611 14.607 ( 5.194 5.812 -86.833) 87.182 21.410 ( -1.697 -1.081 7.151) 7.429 21.530 ( -0.248 -2.733 -3.211) 4.223 21.667 ( -1.090 2.260 0.876) 2.658 21.711 ( 2.552 1.817 -2.988) 4.329 29.452 ( -4.948 -5.947 37.355) 38.148 30.169 ( -4.816 -5.919 -31.676) 32.582 ======================= Grid point 2339 (254/288) ======================= q-point: ( 0.14 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.329 ( 26.445 35.754 40.758) 60.323 9.117 ( 26.208 30.730 -31.306) 51.100 9.653 ( 34.860 31.696 49.195) 68.117 10.687 ( 43.597 34.890 -46.818) 72.869 13.359 ( 30.233 27.214 72.041) 82.732 14.874 ( 15.392 13.705 -73.224) 76.069 21.361 ( -2.338 -1.453 6.676) 7.221 21.484 ( -1.475 -3.277 -4.667) 5.890 21.640 ( -2.913 -0.376 5.169) 5.945 21.752 ( -0.306 1.247 -5.294) 5.447 29.286 ( -6.376 -7.061 37.800) 38.979 30.000 ( -6.551 -7.577 -31.057) 32.632 ======================= Grid point 2340 (255/288) ======================= q-point: ( 0.19 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.170 ( 26.227 36.403 38.144) 58.890 9.898 ( 26.541 29.544 -26.281) 47.623 10.438 ( 23.386 22.312 53.140) 62.199 11.647 ( 31.180 20.515 -57.103) 68.219 14.380 ( 47.287 36.109 52.567) 79.393 15.484 ( 32.427 24.424 -53.672) 67.296 21.298 ( -2.779 -1.926 6.100) 6.974 21.414 ( -2.496 -3.342 -4.564) 6.183 21.559 ( -5.352 -1.083 7.420) 9.213 21.720 ( -3.871 -0.244 -7.552) 8.490 29.079 ( -7.911 -8.980 37.670) 39.525 29.778 ( -8.611 -10.123 -29.679) 32.518 ======================= Grid point 2341 (256/288) ======================= q-point: ( 0.24 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.969 ( 23.431 32.915 36.571) 54.496 10.612 ( 24.160 19.863 -6.500) 31.945 10.997 ( 14.413 26.111 33.243) 44.661 12.201 ( 15.336 9.682 -63.187) 65.738 15.689 ( 56.060 37.636 39.938) 78.449 16.488 ( 47.141 31.068 -36.974) 67.487 21.224 ( -3.075 -2.594 5.739) 7.008 21.330 ( -3.105 -3.296 -3.418) 5.673 21.439 ( -7.063 -0.244 7.135) 10.043 21.618 ( -6.687 -0.870 -8.774) 11.066 28.818 ( -9.857 -11.653 36.659) 39.710 29.484 ( -11.220 -13.336 -27.577) 32.622 ======================= Grid point 2342 (257/288) ======================= q-point: ( 0.29 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.638 ( 19.428 22.253 36.779) 47.173 11.128 ( 17.268 11.903 24.540) 32.281 11.532 ( 10.988 33.502 -7.167) 35.979 12.446 ( 4.525 7.083 -59.817) 60.405 17.063 ( 56.511 34.197 33.024) 73.848 17.697 ( 51.768 30.630 -27.759) 66.247 21.137 ( -3.018 -3.917 5.950) 7.736 21.240 ( -3.473 -2.705 -1.444) 4.633 21.318 ( -7.014 1.514 4.172) 8.300 21.481 ( -7.874 0.107 -8.663) 11.707 28.493 ( -11.727 -14.421 34.566) 39.247 29.108 ( -13.984 -16.600 -24.753) 32.921 ======================= Grid point 2343 (258/288) ======================= q-point: ( 0.33 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.083 ( 15.689 4.633 36.963) 40.422 11.529 ( 10.711 19.060 24.092) 32.534 12.002 ( 6.468 25.087 -21.869) 33.904 12.562 ( -2.223 14.769 -48.678) 50.918 18.335 ( 50.462 27.939 28.652) 64.405 18.872 ( 47.217 25.335 -22.749) 58.213 21.045 ( -1.853 -4.725 6.227) 8.033 21.160 ( -2.698 -2.129 -2.114) 4.035 21.228 ( -5.874 3.353 2.722) 7.291 21.359 ( -7.183 2.880 -7.231) 10.592 28.120 ( -12.260 -16.257 31.024) 37.109 28.659 ( -15.923 -19.104 -20.906) 32.489 ======================= Grid point 2344 (259/288) ======================= q-point: ( 0.38 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.324 ( 12.722 -4.891 31.326) 34.162 11.866 ( 6.778 14.596 9.417) 18.646 12.232 ( -2.072 14.118 -17.379) 22.487 12.719 ( -6.021 29.606 -35.560) 46.661 19.364 ( 37.320 18.869 24.579) 48.507 19.813 ( 33.481 15.711 -18.525) 41.364 20.998 ( 1.839 -3.373 5.099) 6.384 21.103 ( -0.933 -2.369 -3.784) 4.561 21.194 ( -2.894 6.470 3.435) 7.876 21.296 ( -4.795 5.951 -5.242) 9.267 27.755 ( -9.527 -15.901 25.274) 31.343 28.176 ( -15.416 -19.832 -15.342) 29.433 ======================= Grid point 2345 (260/288) ======================= q-point: ( 0.43 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.453 ( 10.051 -8.803 24.269) 27.704 12.037 ( 6.790 -4.261 -21.246) 22.708 12.301 ( -11.617 25.694 14.406) 31.665 12.895 ( -10.715 31.628 -31.352) 45.805 19.984 ( 17.122 7.321 19.416) 26.903 20.321 ( 13.444 3.602 -13.329) 19.271 21.032 ( 2.508 -0.045 2.616) 3.624 21.080 ( 0.206 -1.228 -1.802) 2.190 21.276 ( 3.419 7.252 1.671) 8.190 21.322 ( -0.125 7.411 -2.593) 7.852 27.501 ( -1.759 -12.231 16.492) 20.607 27.747 ( -10.276 -17.530 -7.208) 21.560 ======================= Grid point 2346 (261/288) ======================= q-point: ( 0.48 0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.498 ( 6.605 -11.440 21.163) 24.948 12.065 ( 6.776 -11.736 -33.794) 36.410 12.336 ( -17.398 30.134 28.794) 45.165 12.964 ( -16.603 28.757 -30.691) 45.216 20.158 ( 0.902 -1.561 16.562) 16.660 20.442 ( 1.839 -3.185 -11.244) 11.831 21.053 ( -1.721 2.980 1.568) 3.782 21.078 ( 1.340 -2.321 -0.954) 2.845 21.372 ( -0.678 1.174 0.630) 1.495 21.373 ( -2.932 5.078 -0.230) 5.868 27.455 ( 4.897 -8.482 7.673) 12.443 27.523 ( 5.215 -9.033 1.161) 10.495 ======================= Grid point 2360 (262/288) ======================= q-point: ( 0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.299 ( 23.859 41.326 40.494) 62.585 9.040 ( 20.823 36.067 -19.607) 46.031 9.504 ( 24.799 42.954 35.734) 61.131 10.456 ( 27.470 47.580 -44.964) 70.994 13.232 ( 18.127 31.397 75.407) 83.670 14.809 ( 8.707 15.081 -75.898) 77.870 21.377 ( -1.294 -2.242 6.288) 6.800 21.476 ( -1.517 -2.627 -3.113) 4.346 21.667 ( -0.822 -1.424 4.075) 4.394 21.762 ( 1.138 1.971 -5.381) 5.842 29.305 ( -4.870 -8.436 37.630) 38.870 30.018 ( -5.140 -8.903 -31.051) 32.708 ======================= Grid point 2361 (263/288) ======================= q-point: ( 0.14 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.173 ( 23.551 45.577 37.017) 63.263 9.781 ( 22.452 31.115 -2.257) 38.437 10.322 ( 22.769 35.527 27.270) 50.242 11.355 ( 27.785 29.545 -52.683) 66.486 14.058 ( 33.100 40.966 57.314) 77.837 15.268 ( 20.841 25.533 -59.070) 67.643 21.320 ( -2.214 -2.681 5.753) 6.722 21.418 ( -1.830 -3.086 -3.716) 5.165 21.621 ( -2.719 -1.348 6.948) 7.582 21.772 ( -1.490 0.491 -7.557) 7.718 29.106 ( -6.763 -10.676 37.445) 39.521 29.802 ( -7.346 -11.907 -29.713) 32.842 ======================= Grid point 2362 (264/288) ======================= q-point: ( 0.19 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.006 ( 17.626 42.873 35.555) 58.420 10.427 ( 21.408 20.475 20.851) 36.226 11.063 ( 17.387 40.901 4.702) 44.691 12.003 ( 20.118 14.919 -58.720) 63.839 15.191 ( 45.232 42.667 43.345) 75.796 16.074 ( 35.780 33.000 -41.704) 64.097 21.244 ( -2.791 -3.529 5.651) 7.223 21.347 ( -2.544 -3.272 -4.115) 5.841 21.547 ( -4.718 0.161 7.727) 9.055 21.721 ( -4.603 0.404 -8.587) 9.752 28.845 ( -8.566 -14.086 36.587) 40.129 29.512 ( -9.518 -15.983 -27.749) 33.408 ======================= Grid point 2363 (265/288) ======================= q-point: ( 0.24 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.594 ( 11.813 20.867 40.531) 47.092 11.013 ( 18.092 26.417 18.819) 37.139 11.749 ( 10.200 43.729 -9.084) 45.812 12.415 ( 11.739 14.105 -54.485) 57.492 16.467 ( 51.128 38.222 35.072) 72.835 17.147 ( 45.701 32.982 -30.239) 63.959 21.148 ( -3.284 -4.819 5.925) 8.314 21.262 ( -2.964 -3.836 -4.750) 6.787 21.465 ( -6.159 3.028 6.984) 9.791 21.630 ( -6.833 2.208 -8.275) 10.957 28.515 ( -10.136 -18.047 34.920) 40.594 29.139 ( -11.632 -20.443 -25.267) 34.520 ======================= Grid point 2364 (266/288) ======================= q-point: ( 0.29 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.911 ( 10.352 5.680 39.630) 41.351 11.532 ( 11.162 20.948 -1.501) 23.784 12.273 ( 1.932 37.840 -6.453) 38.435 12.779 ( 4.656 30.823 -40.409) 51.036 17.731 ( 50.742 31.028 30.100) 66.659 18.295 ( 47.461 27.629 -23.953) 59.914 21.036 ( -3.016 -5.745 6.124) 8.922 21.166 ( -2.727 -5.042 -6.022) 8.314 21.399 ( -6.629 6.493 6.104) 11.107 21.539 ( -7.530 5.503 -6.941) 11.626 28.126 ( -10.770 -21.523 32.195) 40.196 28.689 ( -13.252 -24.399 -22.114) 35.496 ======================= Grid point 2365 (267/288) ======================= q-point: ( 0.33 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.106 ( 9.239 -0.626 32.825) 34.106 11.804 ( 6.249 3.262 -25.231) 26.197 12.633 ( -5.725 40.958 12.531) 43.213 13.178 ( -3.525 42.829 -32.013) 53.587 18.849 ( 43.754 22.340 26.155) 55.656 19.327 ( 40.642 19.068 -19.654) 49.006 20.941 ( -0.631 -5.585 5.696) 8.002 21.074 ( -1.078 -5.612 -6.791) 8.876 21.368 ( -6.102 9.647 5.474) 12.660 21.484 ( -6.922 8.868 -5.418) 12.486 27.715 ( -9.083 -23.267 27.806) 37.377 28.187 ( -13.336 -26.878 -17.739) 34.856 ======================= Grid point 2366 (268/288) ======================= q-point: ( 0.38 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.232 ( 7.897 -4.006 24.862) 26.392 11.866 ( 4.234 -6.837 -33.682) 34.628 12.904 ( -13.324 44.270 24.473) 52.310 13.491 ( -11.934 44.422 -29.725) 54.766 19.677 ( 28.508 11.970 21.340) 37.568 20.049 ( 23.957 7.698 -14.608) 29.096 20.920 ( 4.503 -4.570 4.294) 7.720 21.031 ( 2.474 -4.486 -5.992) 7.883 21.386 ( -4.102 11.706 4.846) 13.317 21.480 ( -5.156 11.464 -4.172) 13.245 27.366 ( -3.116 -21.893 20.764) 30.334 27.698 ( -10.068 -26.704 -11.218) 30.664 ======================= Grid point 2367 (269/288) ======================= q-point: ( 0.43 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.301 ( 5.719 -6.320 19.322) 21.119 11.854 ( 4.707 -9.511 -33.682) 35.314 13.051 ( -20.586 43.060 28.240) 55.457 13.654 ( -19.738 42.237 -29.113) 54.965 20.073 ( 9.084 1.748 16.124) 18.589 20.337 ( 7.300 -1.475 -9.928) 12.411 20.976 ( 5.680 -5.100 2.803) 8.132 21.053 ( 3.091 -2.991 -3.831) 5.760 21.449 ( -2.737 10.215 4.108) 11.345 21.522 ( -4.331 11.262 -3.033) 12.442 27.202 ( 7.618 -16.785 10.724) 21.325 27.333 ( -1.253 -22.632 -1.922) 22.748 ======================= Grid point 2382 (270/288) ======================= q-point: ( 0.14 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.125 ( 26.420 45.760 30.857) 61.190 10.296 ( 11.560 20.023 36.110) 42.877 11.143 ( 25.304 43.828 -7.701) 51.191 11.876 ( 12.641 21.895 -55.981) 61.425 15.003 ( 29.352 50.839 44.854) 73.879 15.923 ( 22.184 38.425 -43.796) 62.343 21.251 ( -2.350 -4.071 5.600) 7.311 21.353 ( -2.026 -3.509 -4.387) 5.972 21.592 ( -0.760 -1.316 8.059) 8.201 21.767 ( -0.564 -0.977 -8.626) 8.700 28.847 ( -8.529 -14.772 36.448) 40.241 29.512 ( -9.583 -16.599 -27.696) 33.681 ======================= Grid point 2383 (271/288) ======================= q-point: ( 0.19 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.606 ( 7.006 13.104 45.039) 47.427 11.001 ( 21.015 37.120 16.232) 45.640 12.016 ( 15.559 49.373 -18.522) 54.980 12.312 ( 17.935 18.380 -45.943) 52.633 16.095 ( 37.763 45.533 36.438) 69.477 16.808 ( 32.590 38.428 -32.111) 59.749 21.154 ( -3.221 -5.295 5.803) 8.490 21.270 ( -2.812 -4.576 -5.439) 7.644 21.570 ( -2.123 2.073 7.665) 8.219 21.738 ( -2.696 1.283 -8.285) 8.806 28.503 ( -10.576 -19.339 34.831) 41.220 29.126 ( -11.856 -21.725 -25.267) 35.369 ======================= Grid point 2384 (272/288) ======================= q-point: ( 0.24 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.821 ( 6.701 6.004 42.053) 43.005 11.558 ( 9.108 18.398 -15.643) 25.810 12.624 ( 6.668 41.748 -5.022) 42.575 12.991 ( 16.383 44.782 -29.583) 56.116 17.233 ( 42.746 36.672 31.080) 64.328 17.816 ( 39.457 32.214 -24.823) 56.664 21.032 ( -3.597 -6.434 5.790) 9.374 21.161 ( -3.248 -6.147 -6.525) 9.534 21.562 ( -3.572 6.172 6.692) 9.779 21.706 ( -4.386 5.070 -7.031) 9.715 28.085 ( -11.516 -23.945 32.529) 42.002 28.655 ( -13.271 -26.781 -22.487) 37.403 ======================= Grid point 2385 (273/288) ======================= q-point: ( 0.29 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.974 ( 6.382 1.624 34.507) 35.130 11.746 ( 3.026 1.407 -34.937) 35.096 13.168 ( 0.237 50.508 16.579) 53.160 13.674 ( 4.040 52.084 -27.969) 59.256 18.321 ( 42.733 26.734 27.149) 57.253 18.813 ( 40.159 22.982 -20.086) 50.442 20.906 ( -2.613 -6.956 5.406) 9.189 21.039 ( -2.486 -7.204 -7.211) 10.491 21.571 ( -4.641 9.931 5.764) 12.384 21.691 ( -5.355 8.924 -5.610) 11.824 27.624 ( -10.491 -27.384 29.143) 41.344 28.123 ( -13.384 -30.749 -19.007) 38.547 ======================= Grid point 2386 (274/288) ======================= q-point: ( 0.33 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.084 ( 5.963 -1.231 25.602) 26.317 11.752 ( 1.389 -6.099 -36.955) 37.481 13.621 ( -9.693 53.589 24.677) 59.789 14.180 ( -7.866 53.528 -27.739) 60.799 19.246 ( 35.580 16.503 22.983) 45.459 19.646 ( 32.106 12.193 -15.642) 37.737 20.814 ( 0.719 -6.855 4.760) 8.376 20.942 ( 0.361 -7.168 -7.170) 10.145 21.601 ( -5.012 12.708 5.067) 14.570 21.701 ( -5.470 11.967 -4.477) 13.899 27.185 ( -5.985 -28.246 23.787) 37.410 27.577 ( -11.071 -32.481 -14.017) 37.068 ======================= Grid point 2387 (275/288) ======================= q-point: ( 0.38 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.160 ( 4.970 -3.131 17.868) 18.809 11.701 ( 2.167 -8.674 -33.774) 34.937 13.906 ( -19.546 52.636 27.525) 62.532 14.485 ( -18.548 52.020 -27.669) 61.771 19.860 ( 19.699 6.053 17.347) 26.937 20.141 ( 15.530 1.495 -10.263) 18.674 20.803 ( 5.741 -7.024 4.096) 9.954 20.919 ( 4.867 -6.588 -6.159) 10.248 21.650 ( -4.981 13.694 4.700) 15.310 21.738 ( -5.281 13.299 -3.720) 14.785 26.881 ( 3.695 -25.123 15.378) 29.686 27.107 ( -4.413 -30.607 -6.424) 31.584 ======================= Grid point 2388 (276/288) ======================= q-point: ( 0.43 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.189 ( 2.745 -4.755 14.590) 15.589 11.673 ( 4.716 -8.168 -31.814) 33.183 14.002 ( -28.329 49.067 28.255) 63.312 14.586 ( -27.816 48.179 -27.647) 62.123 20.059 ( 1.945 -3.368 13.770) 14.309 20.271 ( 2.967 -5.139 -7.697) 9.718 20.830 ( 5.180 -8.973 4.117) 11.149 20.940 ( 4.512 -7.815 -5.066) 10.348 21.682 ( -7.029 12.174 4.578) 14.784 21.764 ( -7.044 12.201 -3.301) 14.470 26.830 ( 11.887 -20.589 5.386) 24.377 26.854 ( 12.770 -22.118 3.028) 25.718 ======================= Grid point 2405 (277/288) ======================= q-point: ( 0.19 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.793 ( 3.995 6.919 43.019) 43.755 11.573 ( 9.246 16.015 -20.412) 27.543 12.798 ( 19.884 34.439 -7.490) 40.466 13.077 ( 28.274 48.972 -23.047) 61.065 17.032 ( 26.557 45.998 31.382) 61.692 17.621 ( 23.548 40.786 -25.167) 53.398 21.031 ( -3.830 -6.634 5.629) 9.506 21.158 ( -3.670 -6.356 -6.586) 9.861 21.628 ( 1.993 3.452 6.829) 7.908 21.774 ( 1.286 2.228 -7.088) 7.540 28.062 ( -13.680 -23.694 32.543) 42.516 28.633 ( -15.272 -26.451 -22.515) 37.945 ======================= Grid point 2406 (278/288) ======================= q-point: ( 0.24 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.910 ( 3.677 3.261 35.606) 35.943 11.722 ( 1.041 0.665 -38.802) 38.822 13.562 ( 15.254 48.943 16.120) 53.740 14.021 ( 18.993 52.207 -24.695) 60.796 17.958 ( 31.433 34.286 27.413) 53.991 18.452 ( 29.017 29.949 -20.035) 46.263 20.890 ( -3.839 -7.418 5.044) 9.757 21.018 ( -3.786 -7.633 -7.235) 11.178 21.705 ( 0.237 7.657 5.819) 9.620 21.826 ( -0.463 6.454 -5.678) 8.609 27.551 ( -13.815 -28.013 29.622) 43.047 28.060 ( -15.898 -31.239 -19.455) 40.089 ======================= Grid point 2407 (279/288) ======================= q-point: ( 0.29 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.995 ( 3.793 0.692 26.336) 26.617 11.688 ( -0.928 -5.663 -38.926) 39.347 14.259 ( 2.727 54.651 23.594) 59.589 14.784 ( 4.880 55.154 -25.759) 61.068 18.819 ( 32.650 22.073 23.577) 45.925 19.225 ( 30.157 17.291 -15.580) 38.094 20.755 ( -2.334 -7.706 4.389) 9.170 20.881 ( -2.284 -8.043 -7.456) 11.202 21.789 ( -1.695 11.082 4.951) 12.255 21.887 ( -2.144 10.025 -4.447) 11.175 27.027 ( -10.791 -30.491 25.493) 41.183 27.453 ( -14.230 -34.352 -15.566) 40.310 ======================= Grid point 2408 (280/288) ======================= q-point: ( 0.33 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.061 ( 3.795 -0.885 17.106) 17.544 11.600 ( -0.436 -8.289 -34.059) 35.055 14.752 ( -11.166 55.952 26.536) 62.924 15.307 ( -9.921 55.815 -26.404) 62.537 19.520 ( 26.621 10.183 18.670) 34.072 19.820 ( 23.091 4.660 -10.702) 25.873 20.663 ( 1.216 -7.709 4.092) 8.812 20.788 ( 1.233 -7.710 -7.147) 10.585 21.869 ( -3.400 13.124 4.447) 14.268 21.953 ( -3.479 12.295 -3.608) 13.277 26.588 ( -2.944 -29.553 19.055) 35.287 26.888 ( -8.991 -34.350 -9.836) 36.845 ======================= Grid point 2409 (281/288) ======================= q-point: ( 0.38 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.106 ( 2.696 -2.017 10.601) 11.123 11.526 ( 2.277 -8.316 -29.488) 30.723 15.001 ( -23.815 53.514 27.697) 64.792 15.570 ( -23.257 53.156 -26.693) 63.867 19.916 ( 12.024 -1.030 13.114) 17.821 20.110 ( 10.194 -4.821 -6.648) 13.090 20.642 ( 4.931 -8.233 4.578) 10.633 20.766 ( 4.748 -8.034 -5.909) 11.045 21.927 ( -5.551 13.054 4.296) 14.821 22.004 ( -5.399 12.397 -3.094) 13.871 26.370 ( 10.470 -24.197 9.551) 28.041 26.482 ( 1.454 -29.713 -1.225) 29.774 ======================= Grid point 2427 (282/288) ======================= q-point: ( 0.24 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 10.965 ( 1.324 2.293 26.637) 26.768 11.668 ( -2.840 -4.919 -39.608) 40.013 14.534 ( 25.786 44.662 22.783) 56.380 15.039 ( 26.750 46.332 -24.666) 58.911 18.628 ( 18.024 31.219 23.438) 42.998 19.029 ( 15.217 26.356 -15.216) 34.025 20.737 ( -4.254 -7.367 4.167) 9.473 20.860 ( -4.369 -7.567 -7.490) 11.509 21.864 ( 4.416 7.648 4.848) 10.075 21.960 ( 3.776 6.541 -4.375) 8.729 26.964 ( -16.645 -28.830 26.026) 42.256 27.400 ( -18.953 -32.828 -16.042) 41.161 ======================= Grid point 2428 (283/288) ======================= q-point: ( 0.29 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.010 ( 1.997 0.869 16.828) 16.968 11.548 ( -2.921 -7.600 -34.299) 35.252 15.334 ( 9.511 49.379 25.565) 56.412 15.869 ( 10.680 50.040 -25.366) 57.110 19.216 ( 20.229 16.620 18.536) 32.078 19.509 ( 17.328 10.273 -10.059) 22.516 20.600 ( -2.435 -7.103 3.735) 8.387 20.722 ( -2.322 -7.138 -7.427) 10.560 22.010 ( 1.577 10.324 4.084) 11.214 22.087 ( 1.280 9.314 -3.306) 9.966 26.410 ( -11.436 -29.155 21.067) 37.744 26.749 ( -15.291 -33.849 -11.636) 38.922 ======================= Grid point 2429 (284/288) ======================= q-point: ( 0.33 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.054 ( 2.205 0.327 7.888) 8.197 11.428 ( -0.933 -8.270 -27.733) 28.955 15.850 ( -9.169 50.388 27.202) 57.991 16.409 ( -8.484 50.937 -26.182) 57.896 19.643 ( 16.492 1.352 12.706) 20.863 19.825 ( 14.567 -4.424 -5.736) 16.269 20.519 ( 0.847 -5.701 4.275) 7.177 20.641 ( 0.886 -6.285 -6.280) 8.928 22.122 ( -1.754 11.365 3.710) 12.083 22.187 ( -1.631 10.355 -2.572) 10.794 26.016 ( -0.108 -25.504 13.766) 28.983 26.213 ( -6.663 -30.672 -5.237) 31.822 ======================= Grid point 2430 (285/288) ======================= q-point: ( 0.38 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.080 ( 0.323 -0.559 3.630) 3.687 11.372 ( 3.779 -6.545 -24.247) 25.398 16.028 ( -26.102 45.211 27.799) 59.145 16.595 ( -26.308 45.567 -26.540) 58.931 19.797 ( 6.030 -10.445 9.484) 15.343 19.930 ( 7.315 -12.670 -4.505) 15.308 20.504 ( 2.610 -4.520 4.882) 7.146 20.618 ( 3.364 -5.826 -4.732) 8.225 22.167 ( -5.806 10.057 3.615) 12.162 22.228 ( -5.280 9.146 -2.232) 10.794 25.914 ( 12.016 -20.813 5.859) 24.737 25.954 ( 11.370 -19.694 2.111) 22.838 ======================= Grid point 2450 (286/288) ======================= q-point: ( 0.29 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.036 ( 1.051 1.820 6.917) 7.229 11.394 ( -4.165 -7.213 -27.079) 28.331 16.217 ( 20.650 35.768 27.010) 49.349 16.773 ( 21.412 37.087 -25.997) 50.098 19.481 ( 5.167 8.950 11.546) 15.496 19.639 ( 1.557 2.697 -4.462) 5.441 20.485 ( -2.145 -3.714 4.042) 5.894 20.603 ( -2.549 -4.415 -6.289) 8.096 22.199 ( 4.546 7.874 3.335) 9.684 22.257 ( 4.059 7.031 -2.240) 8.422 25.883 ( -12.288 -21.283 15.419) 29.012 26.113 ( -15.802 -27.369 -6.736) 32.313 ======================= Grid point 2451 (287/288) ======================= q-point: ( 0.33 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.080 ( 0.974 2.326 -1.619) 2.997 11.271 ( -0.690 -6.907 -19.845) 21.024 16.733 ( -3.946 33.768 28.416) 44.309 17.316 ( -3.847 35.616 -27.312) 45.047 19.576 ( 4.998 -6.522 6.281) 10.343 19.655 ( 6.288 -10.798 -2.029) 12.659 20.455 ( 0.612 -0.520 4.095) 4.173 20.539 ( 0.026 -3.795 -3.156) 4.936 22.316 ( -0.480 7.152 2.845) 7.712 22.360 ( -0.401 6.202 -1.441) 6.379 25.594 ( 1.479 -14.714 8.477) 17.046 25.687 ( -3.565 -19.609 -0.497) 19.936 ======================= Grid point 2472 (288/288) ======================= q-point: ( 0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 473 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 11.152 ( -2.356 -4.081 -11.001) 11.968 11.152 ( 2.356 4.081 -11.001) 11.968 17.105 ( -0.000 -0.000 29.617) 29.617 17.718 ( -0.000 -0.000 -29.044) 29.044 19.496 ( -0.896 -1.552 1.769) 2.518 19.496 ( 0.896 1.552 1.769) 2.518 20.478 ( -1.132 -1.961 1.124) 2.528 20.478 ( 1.132 1.961 1.124) 2.528 22.392 ( -0.000 -0.000 2.358) 2.358 22.426 ( -0.000 -0.000 -0.867) 0.867 25.459 ( -1.096 -1.898 3.899) 4.473 25.459 ( 1.096 1.898 3.899) 4.473 =================== 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 3/58212 10.0 18908.713 18908.713 12038.855 -0.000 0.000 -0.000 3/58212 20.0 54367.108 54367.108 43972.317 -0.000 0.000 -0.000 3/58212 30.0 28582.440 28582.440 27857.858 -0.000 0.000 -0.000 3/58212 40.0 17615.789 17615.789 17136.654 -0.000 0.000 -0.000 3/58212 50.0 12139.293 12139.293 11430.544 -0.000 0.000 -0.000 3/58212 60.0 8770.885 8770.885 8057.953 -0.000 0.000 -0.000 3/58212 70.0 6517.626 6517.626 5891.620 -0.000 0.000 -0.000 3/58212 80.0 4929.816 4929.816 4415.638 -0.000 0.000 -0.000 3/58212 90.0 3780.159 3780.159 3372.342 -0.000 0.000 -0.000 3/58212 100.0 2940.281 2940.281 2621.832 -0.000 0.000 -0.000 3/58212 110.0 2325.171 2325.171 2077.556 -0.000 0.000 -0.000 3/58212 120.0 1873.034 1873.034 1680.083 -0.000 0.000 -0.000 3/58212 130.0 1538.170 1538.170 1387.007 -0.000 0.000 -0.000 3/58212 140.0 1287.298 1287.298 1168.104 -0.000 0.000 -0.000 3/58212 150.0 1096.641 1096.641 1002.070 -0.000 0.000 -0.000 3/58212 160.0 949.424 949.424 874.011 -0.000 0.000 -0.000 3/58212 170.0 833.871 833.871 773.530 -0.000 0.000 -0.000 3/58212 180.0 741.690 741.690 693.345 -0.000 0.000 -0.000 3/58212 190.0 667.006 667.006 628.311 -0.000 0.000 -0.000 3/58212 200.0 605.611 605.611 574.758 -0.000 0.000 -0.000 3/58212 210.0 554.456 554.456 530.034 -0.000 0.000 -0.000 3/58212 220.0 511.304 511.304 492.197 -0.000 0.000 -0.000 3/58212 230.0 474.489 474.489 459.808 -0.000 0.000 -0.000 3/58212 240.0 442.757 442.757 431.784 -0.000 0.000 -0.000 3/58212 250.0 415.151 415.151 407.302 -0.000 0.000 -0.000 3/58212 260.0 390.930 390.930 385.726 -0.000 0.000 -0.000 3/58212 270.0 369.517 369.517 366.560 -0.000 0.000 -0.000 3/58212 280.0 350.453 350.453 349.413 -0.000 0.000 -0.000 3/58212 290.0 333.372 333.372 333.974 -0.000 0.000 -0.000 3/58212 300.0 317.981 317.981 319.990 -0.000 0.000 -0.000 3/58212 310.0 304.038 304.038 307.257 -0.000 0.000 -0.000 3/58212 320.0 291.347 291.347 295.607 -0.000 0.000 -0.000 3/58212 330.0 279.743 279.743 284.901 -0.000 0.000 -0.000 3/58212 340.0 269.090 269.090 275.022 -0.000 0.000 -0.000 3/58212 350.0 259.274 259.274 265.874 -0.000 0.000 -0.000 3/58212 360.0 250.198 250.198 257.374 -0.000 0.000 -0.000 3/58212 370.0 241.779 241.779 249.451 -0.000 0.000 -0.000 3/58212 380.0 233.947 233.947 242.045 -0.000 0.000 -0.000 3/58212 390.0 226.639 226.639 235.104 -0.000 0.000 -0.000 3/58212 400.0 219.805 219.805 228.583 -0.000 0.000 -0.000 3/58212 410.0 213.398 213.398 222.443 -0.000 0.000 -0.000 3/58212 420.0 207.377 207.377 216.650 -0.000 0.000 -0.000 3/58212 430.0 201.708 201.708 211.172 -0.000 0.000 -0.000 3/58212 440.0 196.360 196.360 205.984 -0.000 0.000 -0.000 3/58212 450.0 191.305 191.305 201.062 -0.000 0.000 -0.000 3/58212 460.0 186.519 186.519 196.384 -0.000 0.000 -0.000 3/58212 470.0 181.981 181.981 191.933 -0.000 0.000 -0.000 3/58212 480.0 177.671 177.671 187.690 -0.000 0.000 -0.000 3/58212 490.0 173.571 173.571 183.641 -0.000 0.000 -0.000 3/58212 500.0 169.666 169.666 179.773 -0.000 0.000 -0.000 3/58212 510.0 165.942 165.942 176.072 -0.000 0.000 -0.000 3/58212 520.0 162.387 162.387 172.528 -0.000 0.000 -0.000 3/58212 530.0 158.988 158.988 169.130 -0.000 0.000 -0.000 3/58212 540.0 155.735 155.735 165.869 -0.000 0.000 -0.000 3/58212 550.0 152.619 152.619 162.737 -0.000 0.000 -0.000 3/58212 560.0 149.631 149.631 159.726 -0.000 0.000 -0.000 3/58212 570.0 146.763 146.763 156.828 -0.000 0.000 -0.000 3/58212 580.0 144.008 144.008 154.038 -0.000 0.000 -0.000 3/58212 590.0 141.358 141.358 151.348 -0.000 0.000 -0.000 3/58212 600.0 138.808 138.808 148.754 -0.000 0.000 -0.000 3/58212 610.0 136.352 136.352 146.250 -0.000 0.000 -0.000 3/58212 620.0 133.985 133.985 143.831 -0.000 0.000 -0.000 3/58212 630.0 131.702 131.702 141.494 -0.000 0.000 -0.000 3/58212 640.0 129.498 129.498 139.233 -0.000 0.000 -0.000 3/58212 650.0 127.369 127.369 137.046 -0.000 0.000 -0.000 3/58212 660.0 125.311 125.311 134.928 -0.000 0.000 -0.000 3/58212 670.0 123.321 123.321 132.875 -0.000 0.000 -0.000 3/58212 680.0 121.396 121.396 130.886 -0.000 0.000 -0.000 3/58212 690.0 119.531 119.531 128.957 -0.000 0.000 -0.000 3/58212 700.0 117.725 117.725 127.085 -0.000 0.000 -0.000 3/58212 710.0 115.974 115.974 125.268 -0.000 0.000 -0.000 3/58212 720.0 114.276 114.276 123.503 -0.000 0.000 -0.000 3/58212 730.0 112.629 112.629 121.788 -0.000 0.000 -0.000 3/58212 740.0 111.029 111.029 120.121 -0.000 0.000 -0.000 3/58212 750.0 109.476 109.476 118.500 -0.000 0.000 -0.000 3/58212 760.0 107.966 107.966 116.922 -0.000 0.000 -0.000 3/58212 770.0 106.499 106.499 115.387 -0.000 0.000 -0.000 3/58212 780.0 105.072 105.072 113.892 -0.000 0.000 -0.000 3/58212 790.0 103.684 103.684 112.436 -0.000 0.000 -0.000 3/58212 800.0 102.333 102.333 111.017 -0.000 0.000 -0.000 3/58212 810.0 101.017 101.017 109.634 -0.000 0.000 -0.000 3/58212 820.0 99.736 99.736 108.286 -0.000 0.000 -0.000 3/58212 830.0 98.487 98.487 106.971 -0.000 0.000 -0.000 3/58212 840.0 97.270 97.270 105.687 -0.000 0.000 -0.000 3/58212 850.0 96.084 96.084 104.435 -0.000 0.000 -0.000 3/58212 860.0 94.926 94.926 103.212 -0.000 0.000 -0.000 3/58212 870.0 93.797 93.797 102.018 -0.000 0.000 -0.000 3/58212 880.0 92.695 92.695 100.852 -0.000 0.000 -0.000 3/58212 890.0 91.619 91.619 99.712 -0.000 0.000 -0.000 3/58212 900.0 90.568 90.568 98.598 -0.000 0.000 -0.000 3/58212 910.0 89.541 89.541 97.508 -0.000 0.000 -0.000 3/58212 920.0 88.538 88.538 96.443 -0.000 0.000 -0.000 3/58212 930.0 87.557 87.557 95.401 -0.000 0.000 -0.000 3/58212 940.0 86.598 86.598 94.382 -0.000 0.000 -0.000 3/58212 950.0 85.661 85.661 93.384 -0.000 0.000 -0.000 3/58212 960.0 84.744 84.744 92.407 -0.000 0.000 -0.000 3/58212 970.0 83.846 83.846 91.451 -0.000 0.000 -0.000 3/58212 980.0 82.968 82.968 90.514 -0.000 0.000 -0.000 3/58212 990.0 82.108 82.108 89.597 -0.000 0.000 -0.000 3/58212 1000.0 81.266 81.266 88.698 -0.000 0.000 -0.000 3/58212 Thermal conductivity related properties were written into "kappa-m212111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:12:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|