----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:08:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 4 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) Number of symmetry operations in supercell: 384 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.897293181692473 0.000000000000000 0.000000000000000 b -1.448646590846237 2.509129497557125 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *3 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 4 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 *5 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 6 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 7 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 8 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.897293181692473 0.000000000000000 0.000000000000000 b -1.448646590846237 2.509129497557125 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 2 *3 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 > 3 4 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 > 4 *5 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 > 5 6 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 > 6 7 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 > 7 8 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.589172726769892 0.000000000000000 0.000000000000000 b -5.794586363384948 10.036517990228500 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 4 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 1 5 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 1 6 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 1 7 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 1 8 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 1 9 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 10 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 1 11 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 12 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 1 13 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 1 14 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 1 15 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 1 16 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 1 17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 2 18 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 2 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 2 20 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 2 21 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 2 22 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 2 23 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 2 24 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 2 25 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 2 26 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 2 27 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 2 28 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 2 29 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 2 30 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 2 31 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 2 32 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 2 *33 Mo 0.16666666666667 0.08333333333333 0.75000000000000 95.960 > 3 34 Mo 0.41666666666667 0.08333333333333 0.75000000000000 95.960 > 3 35 Mo 0.66666666666667 0.08333333333333 0.75000000000000 95.960 > 3 36 Mo 0.91666666666667 0.08333333333333 0.75000000000000 95.960 > 3 37 Mo 0.16666666666667 0.33333333333333 0.75000000000000 95.960 > 3 38 Mo 0.41666666666667 0.33333333333333 0.75000000000000 95.960 > 3 39 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 > 3 40 Mo 0.91666666666667 0.33333333333333 0.75000000000000 95.960 > 3 41 Mo 0.16666666666667 0.58333333333333 0.75000000000000 95.960 > 3 42 Mo 0.41666666666667 0.58333333333333 0.75000000000000 95.960 > 3 43 Mo 0.66666666666667 0.58333333333333 0.75000000000000 95.960 > 3 44 Mo 0.91666666666667 0.58333333333333 0.75000000000000 95.960 > 3 45 Mo 0.16666666666667 0.83333333333333 0.75000000000000 95.960 > 3 46 Mo 0.41666666666667 0.83333333333333 0.75000000000000 95.960 > 3 47 Mo 0.66666666666667 0.83333333333333 0.75000000000000 95.960 > 3 48 Mo 0.91666666666667 0.83333333333333 0.75000000000000 95.960 > 3 49 Mo 0.08333333333333 0.16666666666667 0.25000000000000 95.960 > 4 50 Mo 0.33333333333333 0.16666666666667 0.25000000000000 95.960 > 4 51 Mo 0.58333333333333 0.16666666666667 0.25000000000000 95.960 > 4 52 Mo 0.83333333333333 0.16666666666667 0.25000000000000 95.960 > 4 53 Mo 0.08333333333333 0.41666666666667 0.25000000000000 95.960 > 4 54 Mo 0.33333333333333 0.41666666666667 0.25000000000000 95.960 > 4 55 Mo 0.58333333333333 0.41666666666667 0.25000000000000 95.960 > 4 56 Mo 0.83333333333333 0.41666666666667 0.25000000000000 95.960 > 4 57 Mo 0.08333333333333 0.66666666666667 0.25000000000000 95.960 > 4 58 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 > 4 59 Mo 0.58333333333333 0.66666666666667 0.25000000000000 95.960 > 4 60 Mo 0.83333333333333 0.66666666666667 0.25000000000000 95.960 > 4 61 Mo 0.08333333333333 0.91666666666667 0.25000000000000 95.960 > 4 62 Mo 0.33333333333333 0.91666666666667 0.25000000000000 95.960 > 4 63 Mo 0.58333333333333 0.91666666666667 0.25000000000000 95.960 > 4 64 Mo 0.83333333333333 0.91666666666667 0.25000000000000 95.960 > 4 *65 N 0.08333333333333 0.16666666666667 0.87170991599265 14.007 > 5 66 N 0.33333333333333 0.16666666666667 0.87170991599265 14.007 > 5 67 N 0.58333333333333 0.16666666666667 0.87170991599265 14.007 > 5 68 N 0.83333333333333 0.16666666666667 0.87170991599265 14.007 > 5 69 N 0.08333333333333 0.41666666666667 0.87170991599265 14.007 > 5 70 N 0.33333333333333 0.41666666666667 0.87170991599265 14.007 > 5 71 N 0.58333333333333 0.41666666666667 0.87170991599265 14.007 > 5 72 N 0.83333333333333 0.41666666666667 0.87170991599265 14.007 > 5 73 N 0.08333333333333 0.66666666666667 0.87170991599265 14.007 > 5 74 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 > 5 75 N 0.58333333333333 0.66666666666667 0.87170991599265 14.007 > 5 76 N 0.83333333333333 0.66666666666667 0.87170991599265 14.007 > 5 77 N 0.08333333333333 0.91666666666667 0.87170991599265 14.007 > 5 78 N 0.33333333333333 0.91666666666667 0.87170991599265 14.007 > 5 79 N 0.58333333333333 0.91666666666667 0.87170991599265 14.007 > 5 80 N 0.83333333333333 0.91666666666667 0.87170991599265 14.007 > 5 81 N 0.08333333333333 0.16666666666667 0.62829008400735 14.007 > 6 82 N 0.33333333333333 0.16666666666667 0.62829008400735 14.007 > 6 83 N 0.58333333333333 0.16666666666667 0.62829008400735 14.007 > 6 84 N 0.83333333333333 0.16666666666667 0.62829008400735 14.007 > 6 85 N 0.08333333333333 0.41666666666667 0.62829008400735 14.007 > 6 86 N 0.33333333333333 0.41666666666667 0.62829008400735 14.007 > 6 87 N 0.58333333333333 0.41666666666667 0.62829008400735 14.007 > 6 88 N 0.83333333333333 0.41666666666667 0.62829008400735 14.007 > 6 89 N 0.08333333333333 0.66666666666667 0.62829008400735 14.007 > 6 90 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 > 6 91 N 0.58333333333333 0.66666666666667 0.62829008400735 14.007 > 6 92 N 0.83333333333333 0.66666666666667 0.62829008400735 14.007 > 6 93 N 0.08333333333333 0.91666666666667 0.62829008400735 14.007 > 6 94 N 0.33333333333333 0.91666666666667 0.62829008400735 14.007 > 6 95 N 0.58333333333333 0.91666666666667 0.62829008400735 14.007 > 6 96 N 0.83333333333333 0.91666666666667 0.62829008400735 14.007 > 6 97 N 0.16666666666667 0.08333333333333 0.37170991599265 14.007 > 7 98 N 0.41666666666667 0.08333333333333 0.37170991599265 14.007 > 7 99 N 0.66666666666667 0.08333333333333 0.37170991599265 14.007 > 7 100 N 0.91666666666667 0.08333333333333 0.37170991599265 14.007 > 7 101 N 0.16666666666667 0.33333333333333 0.37170991599265 14.007 > 7 102 N 0.41666666666667 0.33333333333333 0.37170991599265 14.007 > 7 103 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 > 7 104 N 0.91666666666667 0.33333333333333 0.37170991599265 14.007 > 7 105 N 0.16666666666667 0.58333333333333 0.37170991599265 14.007 > 7 106 N 0.41666666666667 0.58333333333333 0.37170991599265 14.007 > 7 107 N 0.66666666666667 0.58333333333333 0.37170991599265 14.007 > 7 108 N 0.91666666666667 0.58333333333333 0.37170991599265 14.007 > 7 109 N 0.16666666666667 0.83333333333333 0.37170991599265 14.007 > 7 110 N 0.41666666666667 0.83333333333333 0.37170991599265 14.007 > 7 111 N 0.66666666666667 0.83333333333333 0.37170991599265 14.007 > 7 112 N 0.91666666666667 0.83333333333333 0.37170991599265 14.007 > 7 113 N 0.16666666666667 0.08333333333333 0.12829008400735 14.007 > 8 114 N 0.41666666666667 0.08333333333333 0.12829008400735 14.007 > 8 115 N 0.66666666666667 0.08333333333333 0.12829008400735 14.007 > 8 116 N 0.91666666666667 0.08333333333333 0.12829008400735 14.007 > 8 117 N 0.16666666666667 0.33333333333333 0.12829008400735 14.007 > 8 118 N 0.41666666666667 0.33333333333333 0.12829008400735 14.007 > 8 119 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 > 8 120 N 0.91666666666667 0.33333333333333 0.12829008400735 14.007 > 8 121 N 0.16666666666667 0.58333333333333 0.12829008400735 14.007 > 8 122 N 0.41666666666667 0.58333333333333 0.12829008400735 14.007 > 8 123 N 0.66666666666667 0.58333333333333 0.12829008400735 14.007 > 8 124 N 0.91666666666667 0.58333333333333 0.12829008400735 14.007 > 8 125 N 0.16666666666667 0.83333333333333 0.12829008400735 14.007 > 8 126 N 0.41666666666667 0.83333333333333 0.12829008400735 14.007 > 8 127 N 0.66666666666667 0.83333333333333 0.12829008400735 14.007 > 8 128 N 0.91666666666667 0.83333333333333 0.12829008400735 14.007 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.9160308 -0.0000000 0.0000000 0.0000000 13.9160308 0.0000000 0.0000000 0.0000000 6.7542335 -------------------------- Born effective charges -------------------------- 1 Mg 2.0630754 -0.0000000 0.0000000 0.0000000 2.0630754 0.0000000 0.0000000 0.0000000 3.2639504 2 Mg 2.0630754 -0.0000000 0.0000000 0.0000000 2.0630754 0.0000000 0.0000000 0.0000000 3.2639504 3 Mo 1.2843760 -0.0000000 0.0000000 0.0000000 1.2843760 0.0000000 0.0000000 0.0000000 0.3236624 4 Mo 1.2843760 -0.0000000 0.0000000 0.0000000 1.2843760 0.0000000 0.0000000 0.0000000 0.3236624 5 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 6 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 7 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 8 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 ---------------------------------------------------------------------------- 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: 5136/5136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 259 Number of blocks in projector: 246 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: 123 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 60 Use standard eigh solver. Tree of FC basis block matrices: - (259, 253), data: False |-- (60, 57), data: True |-- (76, 76), data: True |-- (123, 120), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 80 / 80 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.193 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 5136/5136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 259 Number of blocks in projector: 246 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: 123 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 60 Use standard eigh solver. Tree of FC basis block matrices: - (259, 253), data: False |-- (60, 57), data: True |-- (76, 76), data: True |-- (123, 120), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:08:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:08:09]------------------------- 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 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.897293181692473 0.000000000000000 0.000000000000000 b -1.448646590846237 2.509129497557125 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 3 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 4 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 5 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 6 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 7 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 8 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.589172726769892 0.000000000000000 0.000000000000000 b -5.794586363384948 10.036517990228500 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 4 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 1 5 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 1 6 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 1 7 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 1 8 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 1 9 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 10 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 1 11 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 12 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 1 13 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 1 14 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 1 15 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 1 16 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 1 17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 17 18 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 17 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 17 20 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 17 21 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 17 22 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 17 23 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 17 24 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 17 25 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 17 26 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 17 27 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 17 28 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 17 29 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 17 30 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 17 31 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 17 32 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 17 33 Mo 0.16666666666667 0.08333333333333 0.75000000000000 95.960 > 33 34 Mo 0.41666666666667 0.08333333333333 0.75000000000000 95.960 > 33 35 Mo 0.66666666666667 0.08333333333333 0.75000000000000 95.960 > 33 36 Mo 0.91666666666667 0.08333333333333 0.75000000000000 95.960 > 33 37 Mo 0.16666666666667 0.33333333333333 0.75000000000000 95.960 > 33 38 Mo 0.41666666666667 0.33333333333333 0.75000000000000 95.960 > 33 39 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 > 33 40 Mo 0.91666666666667 0.33333333333333 0.75000000000000 95.960 > 33 41 Mo 0.16666666666667 0.58333333333333 0.75000000000000 95.960 > 33 42 Mo 0.41666666666667 0.58333333333333 0.75000000000000 95.960 > 33 43 Mo 0.66666666666667 0.58333333333333 0.75000000000000 95.960 > 33 44 Mo 0.91666666666667 0.58333333333333 0.75000000000000 95.960 > 33 45 Mo 0.16666666666667 0.83333333333333 0.75000000000000 95.960 > 33 46 Mo 0.41666666666667 0.83333333333333 0.75000000000000 95.960 > 33 47 Mo 0.66666666666667 0.83333333333333 0.75000000000000 95.960 > 33 48 Mo 0.91666666666667 0.83333333333333 0.75000000000000 95.960 > 33 49 Mo 0.08333333333333 0.16666666666667 0.25000000000000 95.960 > 49 50 Mo 0.33333333333333 0.16666666666667 0.25000000000000 95.960 > 49 51 Mo 0.58333333333333 0.16666666666667 0.25000000000000 95.960 > 49 52 Mo 0.83333333333333 0.16666666666667 0.25000000000000 95.960 > 49 53 Mo 0.08333333333333 0.41666666666667 0.25000000000000 95.960 > 49 54 Mo 0.33333333333333 0.41666666666667 0.25000000000000 95.960 > 49 55 Mo 0.58333333333333 0.41666666666667 0.25000000000000 95.960 > 49 56 Mo 0.83333333333333 0.41666666666667 0.25000000000000 95.960 > 49 57 Mo 0.08333333333333 0.66666666666667 0.25000000000000 95.960 > 49 58 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 > 49 59 Mo 0.58333333333333 0.66666666666667 0.25000000000000 95.960 > 49 60 Mo 0.83333333333333 0.66666666666667 0.25000000000000 95.960 > 49 61 Mo 0.08333333333333 0.91666666666667 0.25000000000000 95.960 > 49 62 Mo 0.33333333333333 0.91666666666667 0.25000000000000 95.960 > 49 63 Mo 0.58333333333333 0.91666666666667 0.25000000000000 95.960 > 49 64 Mo 0.83333333333333 0.91666666666667 0.25000000000000 95.960 > 49 65 N 0.08333333333333 0.16666666666667 0.87170991599265 14.007 > 65 66 N 0.33333333333333 0.16666666666667 0.87170991599265 14.007 > 65 67 N 0.58333333333333 0.16666666666667 0.87170991599265 14.007 > 65 68 N 0.83333333333333 0.16666666666667 0.87170991599265 14.007 > 65 69 N 0.08333333333333 0.41666666666667 0.87170991599265 14.007 > 65 70 N 0.33333333333333 0.41666666666667 0.87170991599265 14.007 > 65 71 N 0.58333333333333 0.41666666666667 0.87170991599265 14.007 > 65 72 N 0.83333333333333 0.41666666666667 0.87170991599265 14.007 > 65 73 N 0.08333333333333 0.66666666666667 0.87170991599265 14.007 > 65 74 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 > 65 75 N 0.58333333333333 0.66666666666667 0.87170991599265 14.007 > 65 76 N 0.83333333333333 0.66666666666667 0.87170991599265 14.007 > 65 77 N 0.08333333333333 0.91666666666667 0.87170991599265 14.007 > 65 78 N 0.33333333333333 0.91666666666667 0.87170991599265 14.007 > 65 79 N 0.58333333333333 0.91666666666667 0.87170991599265 14.007 > 65 80 N 0.83333333333333 0.91666666666667 0.87170991599265 14.007 > 65 81 N 0.08333333333333 0.16666666666667 0.62829008400735 14.007 > 81 82 N 0.33333333333333 0.16666666666667 0.62829008400735 14.007 > 81 83 N 0.58333333333333 0.16666666666667 0.62829008400735 14.007 > 81 84 N 0.83333333333333 0.16666666666667 0.62829008400735 14.007 > 81 85 N 0.08333333333333 0.41666666666667 0.62829008400735 14.007 > 81 86 N 0.33333333333333 0.41666666666667 0.62829008400735 14.007 > 81 87 N 0.58333333333333 0.41666666666667 0.62829008400735 14.007 > 81 88 N 0.83333333333333 0.41666666666667 0.62829008400735 14.007 > 81 89 N 0.08333333333333 0.66666666666667 0.62829008400735 14.007 > 81 90 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 > 81 91 N 0.58333333333333 0.66666666666667 0.62829008400735 14.007 > 81 92 N 0.83333333333333 0.66666666666667 0.62829008400735 14.007 > 81 93 N 0.08333333333333 0.91666666666667 0.62829008400735 14.007 > 81 94 N 0.33333333333333 0.91666666666667 0.62829008400735 14.007 > 81 95 N 0.58333333333333 0.91666666666667 0.62829008400735 14.007 > 81 96 N 0.83333333333333 0.91666666666667 0.62829008400735 14.007 > 81 97 N 0.16666666666667 0.08333333333333 0.37170991599265 14.007 > 97 98 N 0.41666666666667 0.08333333333333 0.37170991599265 14.007 > 97 99 N 0.66666666666667 0.08333333333333 0.37170991599265 14.007 > 97 100 N 0.91666666666667 0.08333333333333 0.37170991599265 14.007 > 97 101 N 0.16666666666667 0.33333333333333 0.37170991599265 14.007 > 97 102 N 0.41666666666667 0.33333333333333 0.37170991599265 14.007 > 97 103 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 > 97 104 N 0.91666666666667 0.33333333333333 0.37170991599265 14.007 > 97 105 N 0.16666666666667 0.58333333333333 0.37170991599265 14.007 > 97 106 N 0.41666666666667 0.58333333333333 0.37170991599265 14.007 > 97 107 N 0.66666666666667 0.58333333333333 0.37170991599265 14.007 > 97 108 N 0.91666666666667 0.58333333333333 0.37170991599265 14.007 > 97 109 N 0.16666666666667 0.83333333333333 0.37170991599265 14.007 > 97 110 N 0.41666666666667 0.83333333333333 0.37170991599265 14.007 > 97 111 N 0.66666666666667 0.83333333333333 0.37170991599265 14.007 > 97 112 N 0.91666666666667 0.83333333333333 0.37170991599265 14.007 > 97 113 N 0.16666666666667 0.08333333333333 0.12829008400735 14.007 > 113 114 N 0.41666666666667 0.08333333333333 0.12829008400735 14.007 > 113 115 N 0.66666666666667 0.08333333333333 0.12829008400735 14.007 > 113 116 N 0.91666666666667 0.08333333333333 0.12829008400735 14.007 > 113 117 N 0.16666666666667 0.33333333333333 0.12829008400735 14.007 > 113 118 N 0.41666666666667 0.33333333333333 0.12829008400735 14.007 > 113 119 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 > 113 120 N 0.91666666666667 0.33333333333333 0.12829008400735 14.007 > 113 121 N 0.16666666666667 0.58333333333333 0.12829008400735 14.007 > 113 122 N 0.41666666666667 0.58333333333333 0.12829008400735 14.007 > 113 123 N 0.66666666666667 0.58333333333333 0.12829008400735 14.007 > 113 124 N 0.91666666666667 0.58333333333333 0.12829008400735 14.007 > 113 125 N 0.16666666666667 0.83333333333333 0.12829008400735 14.007 > 113 126 N 0.41666666666667 0.83333333333333 0.12829008400735 14.007 > 113 127 N 0.66666666666667 0.83333333333333 0.12829008400735 14.007 > 113 128 N 0.91666666666667 0.83333333333333 0.12829008400735 14.007 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.9160308 -0.0000000 0.0000000 0.0000000 13.9160308 0.0000000 0.0000000 0.0000000 6.7542335 -------------------------- Born effective charges -------------------------- 1 Mg 2.0630754 -0.0000000 0.0000000 0.0000000 2.0630754 0.0000000 0.0000000 0.0000000 3.2639504 2 Mg 2.0630754 -0.0000000 0.0000000 0.0000000 2.0630754 0.0000000 0.0000000 0.0000000 3.2639504 3 Mo 1.2843760 -0.0000000 0.0000000 0.0000000 1.2843760 0.0000000 0.0000000 0.0000000 0.3236624 4 Mo 1.2843760 -0.0000000 0.0000000 0.0000000 1.2843760 0.0000000 0.0000000 0.0000000 0.3236624 5 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 6 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 7 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 8 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 ---------------------------------------------------------------------------- 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[ 33, 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: 0.00000002 (xxy) 0.00000002 (xxy) 0.00000002 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-09 04:08:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:08:16]------------------------- 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 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.897293181692473 0.000000000000000 0.000000000000000 b -1.448646590846237 2.509129497557125 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 3 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 4 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 5 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 6 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 7 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 8 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.589172726769892 0.000000000000000 0.000000000000000 b -5.794586363384948 10.036517990228500 0.000000000000000 c 0.000000000000000 0.000000000000000 10.513507810000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 4 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 1 5 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 1 6 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 1 7 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 1 8 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 1 9 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 1 10 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 1 11 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 1 12 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 1 13 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 1 14 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 1 15 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 1 16 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 1 17 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 17 18 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 17 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 17 20 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 17 21 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 17 22 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 17 23 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 17 24 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 17 25 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 17 26 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 17 27 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 17 28 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 17 29 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 17 30 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 17 31 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 17 32 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 17 33 Mo 0.16666666666667 0.08333333333333 0.75000000000000 95.960 > 33 34 Mo 0.41666666666667 0.08333333333333 0.75000000000000 95.960 > 33 35 Mo 0.66666666666667 0.08333333333333 0.75000000000000 95.960 > 33 36 Mo 0.91666666666667 0.08333333333333 0.75000000000000 95.960 > 33 37 Mo 0.16666666666667 0.33333333333333 0.75000000000000 95.960 > 33 38 Mo 0.41666666666667 0.33333333333333 0.75000000000000 95.960 > 33 39 Mo 0.66666666666667 0.33333333333333 0.75000000000000 95.960 > 33 40 Mo 0.91666666666667 0.33333333333333 0.75000000000000 95.960 > 33 41 Mo 0.16666666666667 0.58333333333333 0.75000000000000 95.960 > 33 42 Mo 0.41666666666667 0.58333333333333 0.75000000000000 95.960 > 33 43 Mo 0.66666666666667 0.58333333333333 0.75000000000000 95.960 > 33 44 Mo 0.91666666666667 0.58333333333333 0.75000000000000 95.960 > 33 45 Mo 0.16666666666667 0.83333333333333 0.75000000000000 95.960 > 33 46 Mo 0.41666666666667 0.83333333333333 0.75000000000000 95.960 > 33 47 Mo 0.66666666666667 0.83333333333333 0.75000000000000 95.960 > 33 48 Mo 0.91666666666667 0.83333333333333 0.75000000000000 95.960 > 33 49 Mo 0.08333333333333 0.16666666666667 0.25000000000000 95.960 > 49 50 Mo 0.33333333333333 0.16666666666667 0.25000000000000 95.960 > 49 51 Mo 0.58333333333333 0.16666666666667 0.25000000000000 95.960 > 49 52 Mo 0.83333333333333 0.16666666666667 0.25000000000000 95.960 > 49 53 Mo 0.08333333333333 0.41666666666667 0.25000000000000 95.960 > 49 54 Mo 0.33333333333333 0.41666666666667 0.25000000000000 95.960 > 49 55 Mo 0.58333333333333 0.41666666666667 0.25000000000000 95.960 > 49 56 Mo 0.83333333333333 0.41666666666667 0.25000000000000 95.960 > 49 57 Mo 0.08333333333333 0.66666666666667 0.25000000000000 95.960 > 49 58 Mo 0.33333333333333 0.66666666666667 0.25000000000000 95.960 > 49 59 Mo 0.58333333333333 0.66666666666667 0.25000000000000 95.960 > 49 60 Mo 0.83333333333333 0.66666666666667 0.25000000000000 95.960 > 49 61 Mo 0.08333333333333 0.91666666666667 0.25000000000000 95.960 > 49 62 Mo 0.33333333333333 0.91666666666667 0.25000000000000 95.960 > 49 63 Mo 0.58333333333333 0.91666666666667 0.25000000000000 95.960 > 49 64 Mo 0.83333333333333 0.91666666666667 0.25000000000000 95.960 > 49 65 N 0.08333333333333 0.16666666666667 0.87170991599265 14.007 > 65 66 N 0.33333333333333 0.16666666666667 0.87170991599265 14.007 > 65 67 N 0.58333333333333 0.16666666666667 0.87170991599265 14.007 > 65 68 N 0.83333333333333 0.16666666666667 0.87170991599265 14.007 > 65 69 N 0.08333333333333 0.41666666666667 0.87170991599265 14.007 > 65 70 N 0.33333333333333 0.41666666666667 0.87170991599265 14.007 > 65 71 N 0.58333333333333 0.41666666666667 0.87170991599265 14.007 > 65 72 N 0.83333333333333 0.41666666666667 0.87170991599265 14.007 > 65 73 N 0.08333333333333 0.66666666666667 0.87170991599265 14.007 > 65 74 N 0.33333333333333 0.66666666666667 0.87170991599265 14.007 > 65 75 N 0.58333333333333 0.66666666666667 0.87170991599265 14.007 > 65 76 N 0.83333333333333 0.66666666666667 0.87170991599265 14.007 > 65 77 N 0.08333333333333 0.91666666666667 0.87170991599265 14.007 > 65 78 N 0.33333333333333 0.91666666666667 0.87170991599265 14.007 > 65 79 N 0.58333333333333 0.91666666666667 0.87170991599265 14.007 > 65 80 N 0.83333333333333 0.91666666666667 0.87170991599265 14.007 > 65 81 N 0.08333333333333 0.16666666666667 0.62829008400735 14.007 > 81 82 N 0.33333333333333 0.16666666666667 0.62829008400735 14.007 > 81 83 N 0.58333333333333 0.16666666666667 0.62829008400735 14.007 > 81 84 N 0.83333333333333 0.16666666666667 0.62829008400735 14.007 > 81 85 N 0.08333333333333 0.41666666666667 0.62829008400735 14.007 > 81 86 N 0.33333333333333 0.41666666666667 0.62829008400735 14.007 > 81 87 N 0.58333333333333 0.41666666666667 0.62829008400735 14.007 > 81 88 N 0.83333333333333 0.41666666666667 0.62829008400735 14.007 > 81 89 N 0.08333333333333 0.66666666666667 0.62829008400735 14.007 > 81 90 N 0.33333333333333 0.66666666666667 0.62829008400735 14.007 > 81 91 N 0.58333333333333 0.66666666666667 0.62829008400735 14.007 > 81 92 N 0.83333333333333 0.66666666666667 0.62829008400735 14.007 > 81 93 N 0.08333333333333 0.91666666666667 0.62829008400735 14.007 > 81 94 N 0.33333333333333 0.91666666666667 0.62829008400735 14.007 > 81 95 N 0.58333333333333 0.91666666666667 0.62829008400735 14.007 > 81 96 N 0.83333333333333 0.91666666666667 0.62829008400735 14.007 > 81 97 N 0.16666666666667 0.08333333333333 0.37170991599265 14.007 > 97 98 N 0.41666666666667 0.08333333333333 0.37170991599265 14.007 > 97 99 N 0.66666666666667 0.08333333333333 0.37170991599265 14.007 > 97 100 N 0.91666666666667 0.08333333333333 0.37170991599265 14.007 > 97 101 N 0.16666666666667 0.33333333333333 0.37170991599265 14.007 > 97 102 N 0.41666666666667 0.33333333333333 0.37170991599265 14.007 > 97 103 N 0.66666666666667 0.33333333333333 0.37170991599265 14.007 > 97 104 N 0.91666666666667 0.33333333333333 0.37170991599265 14.007 > 97 105 N 0.16666666666667 0.58333333333333 0.37170991599265 14.007 > 97 106 N 0.41666666666667 0.58333333333333 0.37170991599265 14.007 > 97 107 N 0.66666666666667 0.58333333333333 0.37170991599265 14.007 > 97 108 N 0.91666666666667 0.58333333333333 0.37170991599265 14.007 > 97 109 N 0.16666666666667 0.83333333333333 0.37170991599265 14.007 > 97 110 N 0.41666666666667 0.83333333333333 0.37170991599265 14.007 > 97 111 N 0.66666666666667 0.83333333333333 0.37170991599265 14.007 > 97 112 N 0.91666666666667 0.83333333333333 0.37170991599265 14.007 > 97 113 N 0.16666666666667 0.08333333333333 0.12829008400735 14.007 > 113 114 N 0.41666666666667 0.08333333333333 0.12829008400735 14.007 > 113 115 N 0.66666666666667 0.08333333333333 0.12829008400735 14.007 > 113 116 N 0.91666666666667 0.08333333333333 0.12829008400735 14.007 > 113 117 N 0.16666666666667 0.33333333333333 0.12829008400735 14.007 > 113 118 N 0.41666666666667 0.33333333333333 0.12829008400735 14.007 > 113 119 N 0.66666666666667 0.33333333333333 0.12829008400735 14.007 > 113 120 N 0.91666666666667 0.33333333333333 0.12829008400735 14.007 > 113 121 N 0.16666666666667 0.58333333333333 0.12829008400735 14.007 > 113 122 N 0.41666666666667 0.58333333333333 0.12829008400735 14.007 > 113 123 N 0.66666666666667 0.58333333333333 0.12829008400735 14.007 > 113 124 N 0.91666666666667 0.58333333333333 0.12829008400735 14.007 > 113 125 N 0.16666666666667 0.83333333333333 0.12829008400735 14.007 > 113 126 N 0.41666666666667 0.83333333333333 0.12829008400735 14.007 > 113 127 N 0.66666666666667 0.83333333333333 0.12829008400735 14.007 > 113 128 N 0.91666666666667 0.83333333333333 0.12829008400735 14.007 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.9160308 -0.0000000 0.0000000 0.0000000 13.9160308 0.0000000 0.0000000 0.0000000 6.7542335 -------------------------- Born effective charges -------------------------- 1 Mg 2.0630754 -0.0000000 0.0000000 0.0000000 2.0630754 0.0000000 0.0000000 0.0000000 3.2639504 2 Mg 2.0630754 -0.0000000 0.0000000 0.0000000 2.0630754 0.0000000 0.0000000 0.0000000 3.2639504 3 Mo 1.2843760 -0.0000000 0.0000000 0.0000000 1.2843760 0.0000000 0.0000000 0.0000000 0.3236624 4 Mo 1.2843760 -0.0000000 0.0000000 0.0000000 1.2843760 0.0000000 0.0000000 0.0000000 0.3236624 5 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 6 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 7 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 8 N -1.6737257 0.0000000 0.0000000 0.0000000 -1.6737257 0.0000000 0.0000000 0.0000000 -1.7938064 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxy) 0.00000002 (xxy) 0.00000002 (xyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 20 20 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.98, Number of G-points: 291, Lambda: 0.35 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/132) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132 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 3.659 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.680 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.345 ( 0.000 0.000 0.000) 0.000 16.345 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 0.000) 0.000 21.371 ( 0.000 0.000 0.000) 0.000 23.022 ( 0.000 0.000 0.000) 0.000 23.317 ( 0.000 0.000 0.000) 0.000 23.439 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/132) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 45.216 26.106 0.000) 52.211 1.115 ( 48.150 27.800 0.000) 55.599 1.870 ( 80.456 46.451 0.000) 92.903 3.816 ( 13.257 7.654 0.000) 15.307 4.010 ( 28.613 16.520 0.000) 33.040 5.964 ( -11.994 -6.924 0.000) 13.849 6.933 ( 4.157 2.400 0.000) 4.800 7.255 ( 28.106 16.227 0.000) 32.454 7.946 ( 2.717 1.569 0.000) 3.138 8.444 ( 10.207 5.893 0.000) 11.786 12.014 ( -6.540 -3.776 0.000) 7.552 12.461 ( -17.558 -10.137 0.000) 20.275 16.151 ( -0.218 -0.126 0.000) 0.252 16.210 ( 4.986 2.879 0.000) 5.757 16.368 ( 1.927 1.113 0.000) 2.225 16.448 ( 8.041 4.643 0.000) 9.285 17.353 ( -0.780 -0.450 0.000) 0.901 17.446 ( 6.805 3.929 0.000) 7.858 17.513 ( -0.404 -0.233 0.000) 0.466 18.690 ( -0.389 -0.225 0.000) 0.450 21.263 ( -9.324 -5.383 0.000) 10.767 22.947 ( -6.314 -3.646 0.000) 7.291 23.110 ( -26.697 -15.414 0.000) 30.827 23.173 ( -11.915 -6.879 0.000) 13.758 ======================= Grid point 2 (3/132) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 46.714 26.971 0.000) 53.941 2.209 ( 46.865 27.057 0.000) 54.115 3.683 ( 76.747 44.310 0.000) 88.620 4.238 ( 22.587 13.040 0.000) 26.081 4.857 ( 42.539 24.560 0.000) 49.120 5.718 ( -7.835 -4.524 0.000) 9.048 7.070 ( 7.616 4.397 0.000) 8.795 8.036 ( 4.985 2.878 0.000) 5.756 8.050 ( 39.137 22.596 0.000) 45.191 8.779 ( 18.565 10.718 0.000) 21.437 11.801 ( -11.610 -6.703 0.000) 13.407 11.969 ( -23.066 -13.317 0.000) 26.634 16.147 ( -0.060 -0.034 0.000) 0.069 16.380 ( 9.533 5.504 0.000) 11.008 16.430 ( 3.351 1.935 0.000) 3.869 16.668 ( 10.246 5.916 0.000) 11.831 17.322 ( -1.988 -1.148 0.000) 2.296 17.502 ( -0.549 -0.317 0.000) 0.634 17.641 ( 9.495 5.482 0.000) 10.964 18.676 ( -0.869 -0.502 0.000) 1.004 20.951 ( -17.489 -10.097 0.000) 20.194 22.341 ( -37.299 -21.534 0.000) 43.069 22.743 ( -11.068 -6.390 0.000) 12.780 22.809 ( -18.955 -10.944 0.000) 21.887 ======================= Grid point 3 (4/132) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 47.618 27.492 0.000) 54.985 3.265 ( 44.759 25.842 0.000) 51.683 4.819 ( 27.175 15.690 0.000) 31.379 5.377 ( 69.715 40.250 0.000) 80.500 5.654 ( 2.847 1.644 0.000) 3.287 5.880 ( 45.115 26.047 0.000) 52.094 7.275 ( 9.966 5.754 0.000) 11.508 8.169 ( 6.487 3.745 0.000) 7.491 8.990 ( 41.556 23.992 0.000) 47.984 9.280 ( 24.604 14.205 0.000) 28.411 11.475 ( -18.852 -10.884 0.000) 21.768 11.498 ( -14.369 -8.296 0.000) 16.592 16.150 ( 0.322 0.186 0.000) 0.372 16.518 ( 4.267 2.464 0.000) 4.928 16.629 ( 11.583 6.688 0.000) 13.375 16.901 ( 10.012 5.780 0.000) 11.561 17.259 ( -3.540 -2.044 0.000) 4.087 17.488 ( -0.616 -0.356 0.000) 0.711 17.864 ( 9.656 5.575 0.000) 11.149 18.649 ( -1.472 -0.850 0.000) 1.700 20.475 ( -23.421 -13.522 0.000) 27.044 21.492 ( -34.985 -20.199 0.000) 40.397 22.329 ( -22.394 -12.929 0.000) 25.858 22.456 ( -13.563 -7.831 0.000) 15.661 ======================= Grid point 4 (5/132) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 41.810 24.139 0.000) 48.278 4.265 ( 46.798 27.019 0.000) 54.037 5.461 ( 28.097 16.222 0.000) 32.444 5.846 ( 13.356 7.711 0.000) 15.422 6.776 ( 46.065 26.596 0.000) 53.192 6.975 ( 54.595 31.520 0.000) 63.040 7.520 ( 11.142 6.433 0.000) 12.866 8.327 ( 7.112 4.106 0.000) 8.213 9.901 ( 29.209 16.864 0.000) 33.728 9.923 ( 38.710 22.349 0.000) 44.698 11.124 ( -11.459 -6.616 0.000) 13.232 11.161 ( -14.239 -8.221 0.000) 16.441 16.162 ( 0.730 0.421 0.000) 0.843 16.623 ( 4.697 2.712 0.000) 5.423 16.887 ( 10.265 5.927 0.000) 11.853 17.139 ( 10.975 6.336 0.000) 12.672 17.160 ( -4.999 -2.886 0.000) 5.773 17.471 ( -0.981 -0.566 0.000) 1.133 18.081 ( 9.132 5.273 0.000) 10.545 18.608 ( -2.102 -1.214 0.000) 2.427 19.898 ( -26.143 -15.093 0.000) 30.187 20.774 ( -26.880 -15.519 0.000) 31.038 21.786 ( -24.749 -14.289 0.000) 28.578 22.134 ( -14.122 -8.153 0.000) 16.307 ======================= Grid point 5 (6/132) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.182 ( 37.885 21.873 0.000) 43.746 5.311 ( 43.734 25.250 0.000) 50.499 6.093 ( 26.553 15.330 0.000) 30.660 6.234 ( 19.424 11.214 0.000) 22.429 7.642 ( 31.737 18.323 0.000) 36.647 7.780 ( 11.280 6.513 0.000) 13.025 8.195 ( 48.066 27.751 0.000) 55.502 8.490 ( 6.940 4.007 0.000) 8.014 10.604 ( 29.608 17.094 0.000) 34.188 10.610 ( 6.547 3.780 0.000) 7.559 10.961 ( -0.736 -0.425 0.000) 0.850 10.999 ( 14.523 8.385 0.000) 16.769 16.182 ( 1.027 0.593 0.000) 1.186 16.731 ( 4.636 2.676 0.000) 5.353 17.032 ( -6.073 -3.506 0.000) 7.013 17.084 ( 6.689 3.862 0.000) 7.724 17.410 ( 12.312 7.108 0.000) 14.216 17.441 ( -1.663 -0.960 0.000) 1.920 18.281 ( 8.090 4.671 0.000) 9.342 18.556 ( -2.141 -1.236 0.000) 2.472 19.305 ( -24.574 -14.188 0.000) 28.376 20.271 ( -16.756 -9.674 0.000) 19.348 21.193 ( -26.598 -15.356 0.000) 30.712 21.814 ( -13.635 -7.872 0.000) 15.744 ======================= Grid point 6 (7/132) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.997 ( 32.758 18.913 0.000) 37.826 6.259 ( 38.281 22.101 0.000) 44.203 6.670 ( 23.337 13.474 0.000) 26.948 6.702 ( 20.612 11.900 0.000) 23.801 8.032 ( 10.525 6.076 0.000) 12.153 8.250 ( 21.042 12.148 0.000) 24.297 8.642 ( 6.165 3.559 0.000) 7.119 9.158 ( 35.847 20.696 0.000) 41.393 10.405 ( -13.151 -7.593 0.000) 15.185 10.846 ( 1.339 0.773 0.000) 1.546 11.478 ( 34.814 20.100 0.000) 40.200 11.645 ( 30.212 17.443 0.000) 34.886 16.208 ( 1.135 0.655 0.000) 1.310 16.832 ( 4.128 2.383 0.000) 4.766 16.885 ( -6.546 -3.779 0.000) 7.559 17.181 ( 1.294 0.747 0.000) 1.494 17.394 ( -2.386 -1.377 0.000) 2.755 17.691 ( 11.850 6.841 0.000) 13.683 18.416 ( 1.852 1.069 0.000) 2.139 18.551 ( 3.602 2.079 0.000) 4.159 18.811 ( -17.372 -10.030 0.000) 20.060 19.998 ( -7.205 -4.160 0.000) 8.320 20.572 ( -27.097 -15.644 0.000) 31.289 21.508 ( -12.945 -7.474 0.000) 14.948 ======================= Grid point 7 (8/132) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.678 ( 26.209 15.132 0.000) 30.263 7.040 ( 27.458 15.853 0.000) 31.705 7.158 ( 18.886 10.904 0.000) 21.808 7.172 ( 21.576 12.457 0.000) 24.913 8.258 ( 8.940 5.162 0.000) 10.323 8.617 ( 11.317 6.534 0.000) 13.068 8.771 ( 5.003 2.889 0.000) 5.777 9.865 ( 26.099 15.068 0.000) 30.136 10.102 ( -12.823 -7.403 0.000) 14.806 10.902 ( 3.371 1.946 0.000) 3.893 12.268 ( 32.458 18.740 0.000) 37.479 12.285 ( 24.984 14.424 0.000) 28.849 16.233 ( 1.038 0.599 0.000) 1.199 16.737 ( -6.209 -3.585 0.000) 7.170 16.918 ( 3.281 1.894 0.000) 3.788 17.127 ( -5.814 -3.357 0.000) 6.713 17.334 ( -2.765 -1.596 0.000) 3.193 17.944 ( 9.977 5.760 0.000) 11.520 18.404 ( -1.229 -0.710 0.000) 1.419 18.538 ( -6.258 -3.613 0.000) 7.227 18.688 ( 6.645 3.837 0.000) 7.673 19.921 ( 0.114 0.066 0.000) 0.131 19.967 ( -24.956 -14.409 0.000) 28.817 21.216 ( -12.481 -7.206 0.000) 14.412 ======================= Grid point 8 (9/132) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.192 ( 18.232 10.526 0.000) 21.052 7.466 ( 13.050 7.535 0.000) 15.069 7.531 ( 13.415 7.745 0.000) 15.490 7.726 ( 22.611 13.055 0.000) 26.109 8.437 ( 6.556 3.785 0.000) 7.571 8.796 ( 4.810 2.777 0.000) 5.554 8.871 ( 3.592 2.074 0.000) 4.148 9.823 ( -11.237 -6.488 0.000) 12.976 10.374 ( 18.331 10.583 0.000) 21.167 10.982 ( 3.083 1.780 0.000) 3.560 12.781 ( 17.829 10.294 0.000) 20.588 12.929 ( 24.301 14.030 0.000) 28.061 16.254 ( 0.776 0.448 0.000) 0.896 16.607 ( -4.924 -2.843 0.000) 5.686 16.954 ( -8.063 -4.655 0.000) 9.310 16.982 ( 2.238 1.292 0.000) 2.584 17.272 ( -2.487 -1.436 0.000) 2.872 18.141 ( 6.906 3.987 0.000) 7.975 18.383 ( -0.504 -0.291 0.000) 0.582 18.486 ( 0.481 0.277 0.000) 0.555 18.828 ( 5.234 3.022 0.000) 6.044 19.452 ( -19.125 -11.042 0.000) 22.083 19.986 ( 5.230 3.019 0.000) 6.039 20.932 ( -12.206 -7.047 0.000) 14.094 ======================= Grid point 9 (10/132) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.510 ( 9.272 5.353 0.000) 10.707 7.690 ( 6.522 3.765 0.000) 7.531 7.768 ( 7.034 4.061 0.000) 8.122 8.144 ( 13.131 7.581 0.000) 15.163 8.554 ( 3.484 2.012 0.000) 4.023 8.864 ( 1.532 0.884 0.000) 1.769 8.935 ( 1.927 1.112 0.000) 2.225 9.600 ( -7.587 -4.381 0.000) 8.761 10.712 ( 10.959 6.327 0.000) 12.655 11.024 ( 0.394 0.228 0.000) 0.456 13.095 ( 9.327 5.385 0.000) 10.770 13.362 ( 12.913 7.455 0.000) 14.910 16.268 ( 0.410 0.237 0.000) 0.474 16.517 ( -2.743 -1.584 0.000) 3.168 16.798 ( -4.957 -2.862 0.000) 5.723 17.021 ( 1.124 0.649 0.000) 1.297 17.225 ( -1.482 -0.856 0.000) 1.711 18.255 ( 2.974 1.717 0.000) 3.434 18.378 ( -0.028 -0.016 0.000) 0.032 18.515 ( 1.372 0.792 0.000) 1.584 18.922 ( 2.796 1.615 0.000) 3.229 19.114 ( -9.828 -5.674 0.000) 11.348 20.149 ( 8.552 4.937 0.000) 9.875 20.656 ( -11.644 -6.723 0.000) 13.446 ======================= Grid point 10 (11/132) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.616 ( 0.000 0.000 0.000) 0.000 7.765 ( -0.000 -0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 8.301 ( -0.000 -0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 11.015 ( -0.000 -0.000 0.000) 0.000 13.204 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 16.273 ( 0.000 0.000 0.000) 0.000 16.485 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 17.034 ( 0.000 0.000 0.000) 0.000 17.207 ( 0.000 0.000 0.000) 0.000 18.286 ( 0.000 0.000 0.000) 0.000 18.378 ( 0.000 0.000 0.000) 0.000 18.532 ( 0.000 0.000 0.000) 0.000 18.954 ( 0.000 0.000 0.000) 0.000 19.003 ( 0.000 0.000 0.000) 0.000 20.328 ( -0.000 -0.000 0.000) 0.000 20.443 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 22 (12/132) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 26.712 46.267 0.000) 53.424 1.930 ( 27.740 48.048 0.000) 55.481 3.200 ( 44.746 77.502 0.000) 89.491 4.112 ( 12.297 21.299 0.000) 24.594 4.596 ( 22.932 39.719 0.000) 45.864 5.772 ( -5.739 -9.940 0.000) 11.478 7.030 ( 4.175 7.231 0.000) 8.350 7.810 ( 21.301 36.894 0.000) 42.602 8.011 ( 2.788 4.828 0.000) 5.575 8.667 ( 9.357 16.208 0.000) 18.715 11.869 ( -6.046 -10.473 0.000) 12.093 12.111 ( -13.191 -22.848 0.000) 26.383 16.174 ( 0.894 1.548 0.000) 1.788 16.263 ( 1.874 3.246 0.000) 3.748 16.453 ( 4.066 7.042 0.000) 8.131 16.597 ( 5.595 9.690 0.000) 11.189 17.353 ( -0.223 -0.386 0.000) 0.446 17.467 ( -0.450 -0.780 0.000) 0.900 17.604 ( 4.803 8.319 0.000) 9.606 18.679 ( -0.490 -0.848 0.000) 0.979 21.053 ( -8.943 -15.490 0.000) 17.887 22.567 ( -20.849 -36.112 0.000) 41.699 22.808 ( -5.786 -10.022 0.000) 11.573 22.921 ( -10.136 -17.557 0.000) 20.273 ======================= Grid point 23 (13/132) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 35.874 41.225 0.000) 54.648 2.921 ( 33.960 41.983 0.000) 53.999 4.616 ( 21.285 26.052 0.000) 33.641 4.792 ( 53.460 61.373 0.000) 81.392 5.494 ( 34.265 37.567 0.000) 50.847 5.645 ( -0.928 -1.414 0.000) 1.692 7.213 ( 6.870 9.769 0.000) 11.943 8.132 ( 4.449 6.739 0.000) 8.075 8.641 ( 31.450 35.064 0.000) 47.101 9.074 ( 17.271 18.458 0.000) 25.279 11.611 ( -10.355 -12.050 0.000) 15.888 11.637 ( -15.876 -18.421 0.000) 24.318 16.188 ( -1.996 3.885 0.000) 4.368 16.363 ( 8.171 -1.679 0.000) 8.342 16.631 ( 4.995 12.494 0.000) 13.456 16.808 ( 8.118 7.809 0.000) 11.264 17.322 ( -3.707 0.841 0.000) 3.801 17.457 ( 1.674 -3.234 0.000) 3.642 17.792 ( 6.665 8.467 0.000) 10.776 18.656 ( -0.895 -1.513 0.000) 1.758 20.658 ( -16.369 -18.984 0.000) 25.067 21.784 ( -27.808 -32.305 0.000) 42.625 22.507 ( -16.181 -18.730 0.000) 24.751 22.563 ( -9.788 -11.399 0.000) 15.025 ======================= Grid point 24 (14/132) ======================= q-point: ( 0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 39.519 37.523 0.000) 54.495 3.914 ( 34.489 37.959 0.000) 51.287 5.243 ( 22.167 26.323 0.000) 34.413 5.736 ( 8.169 7.086 0.000) 10.814 6.289 ( 51.083 48.637 0.000) 70.534 6.478 ( 39.778 33.401 0.000) 51.941 7.452 ( 8.067 11.987 0.000) 14.448 8.291 ( 4.978 8.446 0.000) 9.804 9.544 ( 34.323 30.523 0.000) 45.932 9.618 ( 23.654 19.372 0.000) 30.574 11.240 ( -12.022 -11.887 0.000) 16.906 11.290 ( -12.282 -12.269 0.000) 17.360 16.194 ( -1.822 4.078 0.000) 4.466 16.493 ( 8.851 -2.159 0.000) 9.111 16.858 ( 5.733 13.216 0.000) 14.406 17.031 ( 9.401 7.178 0.000) 11.828 17.244 ( -5.888 0.491 0.000) 5.909 17.456 ( 1.367 -2.519 0.000) 2.866 17.992 ( 7.591 6.752 0.000) 10.159 18.618 ( -1.295 -2.252 0.000) 2.597 20.130 ( -21.214 -20.785 0.000) 29.699 21.028 ( -25.297 -25.126 0.000) 35.655 22.005 ( -19.850 -19.312 0.000) 27.694 22.259 ( -11.682 -11.612 0.000) 16.472 ======================= Grid point 25 (15/132) ======================= q-point: ( 0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.857 ( 32.567 34.622 0.000) 47.532 4.877 ( 39.778 33.628 0.000) 52.088 5.887 ( 21.656 26.140 0.000) 33.945 6.047 ( 15.665 12.475 0.000) 20.026 7.306 ( 31.951 26.239 0.000) 41.345 7.673 ( 48.077 36.768 0.000) 60.525 7.721 ( 7.973 13.708 0.000) 15.858 8.466 ( 4.659 9.922 0.000) 10.961 10.269 ( 28.879 19.826 0.000) 35.029 10.390 ( 29.445 23.189 0.000) 37.480 10.976 ( -8.418 -9.609 0.000) 12.775 10.994 ( -5.824 -6.028 0.000) 8.382 16.208 ( -1.265 4.110 0.000) 4.301 16.622 ( 8.083 -1.321 0.000) 8.190 17.066 ( 4.312 10.509 0.000) 11.359 17.132 ( -7.333 0.020 0.000) 7.333 17.285 ( 11.052 8.420 0.000) 13.893 17.449 ( -0.035 -1.406 0.000) 1.407 18.185 ( 7.967 4.918 0.000) 9.363 18.568 ( -1.552 -2.765 0.000) 3.171 19.540 ( -22.415 -20.487 0.000) 30.367 20.438 ( -18.029 -17.571 0.000) 25.175 21.442 ( -22.538 -20.087 0.000) 30.190 21.939 ( -11.972 -11.255 0.000) 16.432 ======================= Grid point 26 (16/132) ======================= q-point: ( 0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.718 ( 28.881 31.381 0.000) 42.648 5.858 ( 37.149 29.008 0.000) 47.133 6.488 ( 18.965 14.153 0.000) 23.664 6.496 ( 19.165 24.743 0.000) 31.297 7.993 ( 6.844 14.845 0.000) 16.347 8.011 ( 23.808 18.257 0.000) 30.002 8.597 ( 10.338 10.407 0.000) 14.669 8.779 ( 31.540 26.415 0.000) 41.141 10.537 ( -11.372 -8.207 0.000) 14.024 10.820 ( 4.352 2.297 0.000) 4.921 11.095 ( 28.736 15.821 0.000) 32.804 11.289 ( 30.381 17.375 0.000) 34.998 16.231 ( -0.933 4.220 0.000) 4.322 16.742 ( 6.882 -0.603 0.000) 6.908 16.996 ( -8.294 -0.157 0.000) 8.295 17.208 ( 1.146 7.777 0.000) 7.861 17.424 ( -1.697 -0.527 0.000) 1.777 17.566 ( 11.299 8.457 0.000) 14.113 18.355 ( 6.511 2.371 0.000) 6.929 18.522 ( 0.068 -1.934 0.000) 1.936 18.986 ( -18.598 -17.514 0.000) 25.546 20.063 ( -9.052 -10.940 0.000) 14.199 20.834 ( -24.102 -20.621 0.000) 31.720 21.626 ( -11.474 -10.907 0.000) 15.831 ======================= Grid point 27 (17/132) ======================= q-point: ( 0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.468 ( 23.469 27.964 0.000) 36.507 6.718 ( 31.507 23.450 0.000) 39.276 6.954 ( 18.777 13.287 0.000) 23.003 7.031 ( 15.286 22.453 0.000) 27.162 8.246 ( 4.882 15.274 0.000) 16.035 8.487 ( 14.261 11.547 0.000) 18.350 8.765 ( 2.648 8.782 0.000) 9.172 9.560 ( 28.547 19.211 0.000) 34.409 10.235 ( -12.247 -9.400 0.000) 15.439 10.858 ( 2.814 0.431 0.000) 2.847 11.864 ( 34.867 18.060 0.000) 39.267 11.964 ( 28.154 14.199 0.000) 31.532 16.258 ( -0.924 4.359 0.000) 4.456 16.842 ( 5.277 -0.724 0.000) 5.326 16.848 ( -8.559 0.002 0.000) 8.559 17.238 ( -5.242 4.373 0.000) 6.826 17.380 ( -3.083 0.124 0.000) 3.086 17.832 ( 10.267 7.185 0.000) 12.532 18.401 ( -0.041 -2.099 0.000) 2.099 18.592 ( 7.145 1.536 0.000) 7.308 18.595 ( -8.930 -11.320 0.000) 14.418 19.897 ( -0.893 -5.998 0.000) 6.064 20.215 ( -23.542 -19.978 0.000) 30.876 21.326 ( -10.832 -10.853 0.000) 15.334 ======================= Grid point 28 (18/132) ======================= q-point: ( 0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.074 ( 16.254 24.326 0.000) 29.257 7.317 ( 15.466 12.090 0.000) 19.631 7.462 ( 10.307 19.362 0.000) 21.935 7.463 ( 24.268 16.233 0.000) 29.197 8.459 ( 2.231 14.853 0.000) 15.020 8.749 ( 6.269 6.795 0.000) 9.245 8.879 ( 1.050 7.774 0.000) 7.845 9.940 ( -11.148 -8.773 0.000) 14.186 10.149 ( 21.299 13.215 0.000) 25.065 10.930 ( 4.173 0.752 0.000) 4.241 12.524 ( 22.797 9.239 0.000) 24.598 12.590 ( 30.076 13.225 0.000) 32.856 16.285 ( -1.185 4.510 0.000) 4.663 16.707 ( -7.872 0.562 0.000) 7.892 16.894 ( 2.156 -3.402 0.000) 4.028 17.136 ( -8.939 3.511 0.000) 9.603 17.324 ( -3.733 0.715 0.000) 3.801 18.055 ( 8.126 5.130 0.000) 9.609 18.376 ( 0.002 -1.996 0.000) 1.996 18.451 ( 0.551 -5.126 0.000) 5.155 18.735 ( 7.392 0.599 0.000) 7.416 19.649 ( -19.754 -17.155 0.000) 26.163 19.895 ( 5.298 -2.665 0.000) 5.930 21.035 ( -10.302 -11.047 0.000) 15.105 ======================= Grid point 29 (19/132) ======================= q-point: ( 0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.504 ( 7.331 20.620 0.000) 21.884 7.616 ( 8.614 7.517 0.000) 11.433 7.764 ( 4.483 15.314 0.000) 15.957 7.971 ( 17.376 11.410 0.000) 20.788 8.613 ( -0.937 13.577 0.000) 13.609 8.865 ( 1.442 4.242 0.000) 4.480 8.956 ( -0.242 6.282 0.000) 6.286 9.685 ( -8.784 -7.227 0.000) 11.375 10.566 ( 14.498 8.608 0.000) 16.861 10.995 ( 2.678 -0.519 0.000) 2.728 12.923 ( 15.670 3.870 0.000) 16.140 13.134 ( 20.981 6.250 0.000) 21.893 16.307 ( -1.660 4.768 0.000) 5.049 16.595 ( -6.158 1.608 0.000) 6.364 16.824 ( -3.470 -5.935 0.000) 6.875 17.076 ( -3.561 5.741 0.000) 6.756 17.272 ( -3.431 1.429 0.000) 3.717 18.205 ( 4.843 2.172 0.000) 5.308 18.365 ( 0.653 -1.497 0.000) 1.633 18.458 ( 3.629 -3.176 0.000) 4.822 18.847 ( 5.830 -1.202 0.000) 5.952 19.222 ( -12.311 -11.522 0.000) 16.861 20.012 ( 9.658 -0.388 0.000) 9.665 20.750 ( -9.741 -11.206 0.000) 14.847 ======================= Grid point 30 (20/132) ======================= q-point: ( 0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.730 ( -2.880 16.602 0.000) 16.850 7.766 ( 2.184 3.825 0.000) 4.404 7.917 ( -1.681 10.544 0.000) 10.677 8.264 ( 6.587 4.427 0.000) 7.936 8.693 ( -4.401 11.719 0.000) 12.518 8.903 ( -0.870 3.077 0.000) 3.197 8.995 ( -1.626 4.830 0.000) 5.096 9.517 ( -3.396 -3.839 0.000) 5.125 10.817 ( 6.602 4.241 0.000) 7.847 11.001 ( 0.063 -2.620 0.000) 2.620 13.133 ( 7.133 -1.677 0.000) 7.327 13.422 ( 9.353 -1.464 0.000) 9.467 16.321 ( -2.421 5.030 0.000) 5.582 16.533 ( -3.651 3.077 0.000) 4.775 16.727 ( -1.071 -3.791 0.000) 3.939 17.084 ( -2.513 5.113 0.000) 5.698 17.240 ( -2.317 2.301 0.000) 3.265 18.265 ( 1.846 -1.005 0.000) 2.102 18.364 ( 0.807 -1.308 0.000) 1.537 18.485 ( 3.046 -3.539 0.000) 4.670 18.907 ( 3.535 -3.074 0.000) 4.684 19.009 ( -3.199 -4.632 0.000) 5.630 20.206 ( 11.684 0.706 0.000) 11.705 20.482 ( -8.070 -10.566 0.000) 13.295 ======================= Grid point 43 (21/132) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( 27.211 47.131 0.000) 54.422 3.811 ( 26.608 46.087 0.000) 53.217 5.190 ( 18.122 31.388 0.000) 36.244 5.701 ( 4.388 7.601 0.000) 8.777 6.077 ( 37.512 64.972 0.000) 75.023 6.293 ( 23.902 41.400 0.000) 47.804 7.449 ( 7.841 13.581 0.000) 15.682 8.296 ( 5.444 9.430 0.000) 10.889 9.392 ( 22.699 39.317 0.000) 45.399 9.504 ( 14.140 24.492 0.000) 28.281 11.287 ( -9.146 -15.842 0.000) 18.292 11.336 ( -8.804 -15.249 0.000) 17.607 16.276 ( 2.044 3.540 0.000) 4.088 16.354 ( 1.130 1.956 0.000) 2.259 16.891 ( 7.699 13.335 0.000) 15.398 16.972 ( 5.075 8.791 0.000) 10.151 17.339 ( -0.102 -0.176 0.000) 0.203 17.391 ( -1.386 -2.401 0.000) 2.772 17.961 ( 4.810 8.330 0.000) 9.619 18.616 ( -1.394 -2.415 0.000) 2.789 20.210 ( -14.735 -25.522 0.000) 29.470 21.125 ( -18.714 -32.414 0.000) 37.428 22.081 ( -13.714 -23.754 0.000) 27.429 22.303 ( -8.292 -14.363 0.000) 16.585 ======================= Grid point 44 (22/132) ======================= q-point: ( 0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.633 ( 31.578 41.905 0.000) 52.471 4.727 ( 27.816 42.604 0.000) 50.881 5.837 ( 19.218 32.384 0.000) 37.657 5.948 ( 11.122 14.159 0.000) 18.005 7.097 ( 25.715 33.256 0.000) 42.039 7.327 ( 39.695 49.096 0.000) 63.136 7.741 ( 8.295 16.610 0.000) 18.566 8.498 ( 5.332 11.995 0.000) 13.126 10.046 ( 20.892 23.626 0.000) 31.538 10.173 ( 25.687 31.982 0.000) 41.021 11.020 ( -9.927 -14.578 0.000) 17.637 11.026 ( -6.345 -9.184 0.000) 11.163 16.304 ( -3.272 6.700 0.000) 7.456 16.458 ( 8.679 -1.209 0.000) 8.763 17.118 ( 3.245 11.987 0.000) 12.418 17.193 ( 10.191 9.697 0.000) 14.067 17.272 ( -7.134 2.076 0.000) 7.430 17.397 ( 3.507 -3.310 0.000) 4.822 18.122 ( 5.479 6.170 0.000) 8.252 18.562 ( -1.551 -3.336 0.000) 3.679 19.664 ( -18.375 -25.504 0.000) 31.434 20.533 ( -16.618 -23.804 0.000) 29.031 21.569 ( -17.727 -24.282 0.000) 30.064 22.002 ( -9.883 -13.956 0.000) 17.102 ======================= Grid point 45 (23/132) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.578 ( 32.293 36.069 0.000) 48.413 5.604 ( 26.055 39.425 0.000) 47.257 6.341 ( 15.661 16.799 0.000) 22.966 6.477 ( 17.144 32.296 0.000) 36.564 7.810 ( 23.161 24.095 0.000) 33.422 8.055 ( 6.989 19.383 0.000) 20.604 8.383 ( 32.535 33.244 0.000) 46.515 8.722 ( 6.243 15.645 0.000) 16.845 10.638 ( -9.165 -6.535 0.000) 11.257 10.679 ( 23.327 20.300 0.000) 30.923 10.901 ( 1.953 -2.246 0.000) 2.976 10.973 ( 25.405 17.378 0.000) 30.780 16.318 ( -2.670 6.620 0.000) 7.138 16.601 ( 8.525 -0.401 0.000) 8.535 17.157 ( -8.647 2.287 0.000) 8.945 17.274 ( 2.084 10.055 0.000) 10.269 17.419 ( 1.703 -1.523 0.000) 2.285 17.472 ( 10.209 10.151 0.000) 14.397 18.271 ( 5.913 3.631 0.000) 6.939 18.502 ( -0.992 -3.732 0.000) 3.862 19.098 ( -17.929 -23.379 0.000) 29.463 20.096 ( -10.580 -16.333 0.000) 19.460 20.992 ( -20.473 -24.875 0.000) 32.217 21.690 ( -10.223 -13.616 0.000) 17.026 ======================= Grid point 46 (24/132) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.400 ( 22.274 36.187 0.000) 42.492 6.447 ( 29.950 29.706 0.000) 42.183 6.792 ( 16.807 16.245 0.000) 23.375 7.058 ( 13.363 31.056 0.000) 33.809 8.358 ( 16.583 16.490 0.000) 23.386 8.359 ( 4.434 21.453 0.000) 21.906 8.844 ( 2.311 14.807 0.000) 14.986 9.283 ( 27.448 23.100 0.000) 35.875 10.338 ( -11.659 -11.217 0.000) 16.179 10.821 ( 1.149 -0.593 0.000) 1.294 11.457 ( 32.336 18.788 0.000) 37.398 11.626 ( 27.235 15.776 0.000) 31.474 16.343 ( -2.185 6.595 0.000) 6.948 16.735 ( 6.788 0.367 0.000) 6.798 17.023 ( -9.686 2.755 0.000) 10.070 17.370 ( -2.338 8.106 0.000) 8.437 17.421 ( -0.723 0.153 0.000) 0.739 17.739 ( 9.600 8.622 0.000) 12.903 18.366 ( 1.897 -1.221 0.000) 2.256 18.490 ( 4.438 -1.179 0.000) 4.592 18.622 ( -11.537 -18.497 0.000) 21.800 19.844 ( -3.083 -10.827 0.000) 11.257 20.380 ( -21.324 -24.634 0.000) 32.581 21.381 ( -9.900 -13.694 0.000) 16.898 ======================= Grid point 47 (25/132) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.083 ( 16.690 32.770 0.000) 36.775 7.169 ( 20.663 20.265 0.000) 28.942 7.240 ( 19.427 16.615 0.000) 25.563 7.547 ( 8.457 28.880 0.000) 30.093 8.627 ( 0.987 22.495 0.000) 22.516 8.710 ( 8.641 10.947 0.000) 13.947 8.989 ( -1.359 13.644 0.000) 13.711 9.911 ( 22.783 15.810 0.000) 27.732 10.033 ( -10.875 -10.680 0.000) 15.242 10.863 ( 3.696 -0.014 0.000) 3.696 12.182 ( 31.630 13.585 0.000) 34.424 12.200 ( 24.506 9.338 0.000) 26.224 16.372 ( -2.066 6.584 0.000) 6.901 16.829 ( 3.394 -0.113 0.000) 3.396 16.883 ( -9.889 3.365 0.000) 10.446 17.334 ( -8.800 4.924 0.000) 10.084 17.398 ( -2.829 1.575 0.000) 3.237 17.969 ( 8.254 6.222 0.000) 10.336 18.347 ( 0.152 -3.011 0.000) 3.015 18.370 ( -0.662 -11.013 0.000) 11.033 18.598 ( 7.633 -1.128 0.000) 7.716 19.763 ( 3.815 -7.234 0.000) 8.178 19.789 ( -19.231 -22.349 0.000) 29.485 21.076 ( -9.324 -14.153 0.000) 16.948 ======================= Grid point 48 (26/132) ======================= q-point: ( 0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.545 ( 10.216 11.121 0.000) 15.101 7.620 ( 9.443 29.247 0.000) 30.733 7.787 ( 19.214 15.774 0.000) 24.860 7.916 ( 2.302 25.897 0.000) 26.000 8.834 ( -3.039 22.409 0.000) 22.614 8.893 ( 2.420 7.776 0.000) 8.144 9.074 ( -3.310 11.663 0.000) 12.123 9.757 ( -9.214 -9.412 0.000) 13.171 10.388 ( 17.183 10.694 0.000) 20.239 10.930 ( 3.881 -0.674 0.000) 3.939 12.646 ( 19.767 2.963 0.000) 19.987 12.782 ( 25.896 5.828 0.000) 26.543 16.402 ( -2.094 6.761 0.000) 7.078 16.756 ( -8.913 4.266 0.000) 9.881 16.826 ( -2.404 -2.865 0.000) 3.740 17.232 ( -7.234 5.856 0.000) 9.308 17.360 ( -3.900 2.755 0.000) 4.775 18.136 ( 5.705 2.303 0.000) 6.152 18.329 ( 0.969 -2.480 0.000) 2.662 18.335 ( 4.877 -6.317 0.000) 7.980 18.707 ( 7.331 -3.412 0.000) 8.086 19.303 ( -13.401 -16.885 0.000) 21.556 19.819 ( 9.282 -4.830 0.000) 10.463 20.777 ( -8.618 -14.667 0.000) 17.012 ======================= Grid point 49 (27/132) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.765 ( 4.417 7.468 0.000) 8.677 7.984 ( 0.824 25.786 0.000) 25.799 8.131 ( -5.258 21.765 0.000) 22.391 8.175 ( 10.986 8.811 0.000) 14.083 8.964 ( -7.251 21.343 0.000) 22.541 8.969 ( -1.255 6.361 0.000) 6.484 9.113 ( -4.131 9.323 0.000) 10.197 9.543 ( -5.663 -6.816 0.000) 8.861 10.717 ( 10.998 6.440 0.000) 12.745 10.963 ( 1.262 -2.450 0.000) 2.756 12.931 ( 13.090 -3.102 0.000) 13.452 13.171 ( 16.864 -2.540 0.000) 17.054 16.436 ( -2.443 7.799 0.000) 8.173 16.668 ( -6.836 5.579 0.000) 8.824 16.722 ( -3.883 -4.237 0.000) 5.747 17.208 ( -4.216 7.477 0.000) 8.584 17.325 ( -3.742 3.804 0.000) 5.335 18.199 ( 3.032 -4.119 0.000) 5.115 18.328 ( 1.318 -2.009 0.000) 2.403 18.374 ( 4.862 -3.917 0.000) 6.243 18.778 ( 6.075 -5.795 0.000) 8.396 19.013 ( -5.075 -9.062 0.000) 10.386 19.975 ( 13.045 -3.177 0.000) 13.427 20.490 ( -7.535 -14.742 0.000) 16.556 ======================= Grid point 50 (28/132) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.841 ( -2.132 3.694 0.000) 4.265 8.149 ( -14.014 24.273 0.000) 28.029 8.166 ( -8.086 14.005 0.000) 16.172 8.319 ( -0.631 1.093 0.000) 1.262 8.989 ( -3.212 5.563 0.000) 6.424 9.008 ( -11.256 19.496 0.000) 22.512 9.123 ( -4.614 7.992 0.000) 9.229 9.454 ( 1.370 -2.373 0.000) 2.739 10.881 ( -0.911 1.577 0.000) 1.821 10.926 ( 2.328 -4.032 0.000) 4.656 13.030 ( 4.936 -8.549 0.000) 9.872 13.305 ( 5.817 -10.075 0.000) 11.633 16.460 ( -4.904 8.494 0.000) 9.808 16.636 ( -4.137 7.165 0.000) 8.273 16.657 ( 1.717 -2.975 0.000) 3.435 17.211 ( -4.324 7.489 0.000) 8.647 17.312 ( -2.708 4.690 0.000) 5.415 18.196 ( 3.611 -6.254 0.000) 7.221 18.330 ( 1.136 -1.967 0.000) 2.272 18.400 ( 2.415 -4.183 0.000) 4.830 18.801 ( 4.307 -7.460 0.000) 8.614 18.930 ( 2.019 -3.497 0.000) 4.038 20.153 ( 4.760 -8.244 0.000) 9.519 20.271 ( 4.563 -7.904 0.000) 9.127 ======================= Grid point 65 (29/132) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.477 ( 24.360 42.193 0.000) 48.720 5.579 ( 24.430 42.314 0.000) 48.860 6.289 ( 11.297 19.566 0.000) 22.593 6.499 ( 19.270 33.377 0.000) 38.540 7.723 ( 17.035 29.505 0.000) 34.069 8.098 ( 10.832 18.762 0.000) 21.664 8.259 ( 24.918 43.159 0.000) 49.836 8.755 ( 7.790 13.493 0.000) 15.580 10.563 ( 16.322 28.270 0.000) 32.644 10.718 ( -8.839 -15.310 0.000) 17.678 10.801 ( 17.600 30.484 0.000) 35.200 10.881 ( -3.013 -5.219 0.000) 6.026 16.436 ( 1.248 2.161 0.000) 2.496 16.463 ( 3.438 5.955 0.000) 6.876 17.300 ( -1.097 -1.899 0.000) 2.193 17.314 ( 4.879 8.450 0.000) 9.758 17.344 ( 0.233 0.403 0.000) 0.465 17.428 ( 7.422 12.855 0.000) 14.844 18.237 ( 3.118 5.400 0.000) 6.236 18.490 ( -2.161 -3.744 0.000) 4.323 19.136 ( -15.444 -26.750 0.000) 30.889 20.105 ( -10.771 -18.655 0.000) 21.541 21.044 ( -16.222 -28.097 0.000) 32.443 21.710 ( -8.775 -15.199 0.000) 17.550 ======================= Grid point 66 (30/132) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.293 ( 25.017 35.312 0.000) 43.275 6.395 ( 22.517 39.224 0.000) 45.227 6.704 ( 13.760 19.292 0.000) 23.697 7.141 ( 15.898 33.552 0.000) 37.128 8.260 ( 15.609 21.017 0.000) 26.180 8.474 ( 8.717 22.140 0.000) 23.794 8.957 ( 7.559 23.909 0.000) 25.075 9.089 ( 20.269 20.971 0.000) 29.165 10.407 ( -10.178 -13.494 0.000) 16.902 10.811 ( -0.967 -1.336 0.000) 1.649 11.173 ( 23.395 23.698 0.000) 33.301 11.387 ( 20.103 20.930 0.000) 29.020 16.450 ( -2.320 5.620 0.000) 6.080 16.624 ( 7.587 3.472 0.000) 8.344 17.215 ( -7.975 3.198 0.000) 8.592 17.387 ( 3.734 -1.742 0.000) 4.121 17.463 ( 1.898 8.797 0.000) 8.999 17.678 ( 7.968 10.210 0.000) 12.951 18.332 ( 2.389 2.528 0.000) 3.478 18.424 ( 0.043 -3.856 0.000) 3.857 18.629 ( -13.401 -23.012 0.000) 26.630 19.801 ( -6.039 -12.936 0.000) 14.276 20.461 ( -18.517 -28.028 0.000) 33.592 21.401 ( -9.370 -15.336 0.000) 17.972 ======================= Grid point 67 (31/132) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.025 ( 22.605 27.909 0.000) 35.915 7.125 ( 18.504 35.696 0.000) 40.207 7.127 ( 13.866 17.128 0.000) 22.037 7.703 ( 10.637 32.709 0.000) 34.395 8.668 ( 10.809 14.674 0.000) 18.225 8.827 ( 4.692 24.972 0.000) 25.409 9.185 ( -1.627 19.391 0.000) 19.459 9.683 ( 22.448 16.972 0.000) 28.142 10.102 ( -10.195 -12.266 0.000) 15.950 10.812 ( 1.799 -0.258 0.000) 1.818 11.817 ( 26.654 16.915 0.000) 31.568 11.904 ( 20.662 12.006 0.000) 23.897 16.469 ( -1.806 5.278 0.000) 5.578 16.776 ( 5.045 4.193 0.000) 6.560 17.099 ( -9.839 4.737 0.000) 10.920 17.424 ( 1.506 -0.128 0.000) 1.512 17.520 ( -5.336 6.768 0.000) 8.618 17.899 ( 7.351 7.025 0.000) 10.168 18.269 ( -4.015 -16.345 0.000) 16.831 18.326 ( -1.222 -2.214 0.000) 2.529 18.464 ( 5.862 -1.775 0.000) 6.125 19.640 ( 0.202 -9.353 0.000) 9.355 19.869 ( -18.082 -26.099 0.000) 31.751 21.084 ( -9.238 -15.952 0.000) 18.434 ======================= Grid point 68 (32/132) ======================= q-point: ( 0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.489 ( 10.824 14.198 0.000) 17.854 7.635 ( 18.769 20.146 0.000) 27.534 7.733 ( 12.850 31.462 0.000) 33.985 8.154 ( 4.705 31.007 0.000) 31.362 8.927 ( 4.695 10.886 0.000) 11.855 9.123 ( -0.524 26.806 0.000) 26.811 9.306 ( -6.068 18.184 0.000) 19.170 9.817 ( -9.348 -10.727 0.000) 14.229 10.188 ( 19.159 11.975 0.000) 22.594 10.858 ( 3.515 -0.357 0.000) 3.533 12.331 ( 19.440 3.614 0.000) 19.773 12.394 ( 25.328 7.415 0.000) 26.391 16.491 ( -1.282 4.336 0.000) 4.522 16.858 ( -0.802 3.487 0.000) 3.578 16.976 ( -10.271 5.884 0.000) 11.837 17.430 ( -9.254 4.822 0.000) 10.435 17.435 ( -1.129 1.811 0.000) 2.134 18.052 ( 5.497 -0.549 0.000) 5.525 18.179 ( 5.250 -5.730 0.000) 7.771 18.292 ( 0.166 -2.233 0.000) 2.239 18.544 ( 6.547 -4.327 0.000) 7.848 19.349 ( -13.887 -20.957 0.000) 25.141 19.617 ( 6.455 -7.179 0.000) 9.655 20.767 ( -8.599 -16.706 0.000) 18.789 ======================= Grid point 69 (33/132) ======================= q-point: ( 0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.762 ( 6.337 10.632 0.000) 12.377 8.074 ( 12.743 12.579 0.000) 17.906 8.183 ( 5.696 26.080 0.000) 26.695 8.477 ( -2.306 29.302 0.000) 29.393 9.062 ( -0.117 9.208 0.000) 9.209 9.335 ( -6.186 27.109 0.000) 27.806 9.344 ( -8.801 15.767 0.000) 18.057 9.577 ( -7.225 -8.001 0.000) 10.780 10.573 ( 13.711 7.729 0.000) 15.739 10.911 ( 2.825 -0.715 0.000) 2.915 12.638 ( 16.079 -3.877 0.000) 16.540 12.816 ( 20.318 -2.588 0.000) 20.482 16.516 ( 0.043 3.460 0.000) 3.460 16.807 ( -7.316 1.774 0.000) 7.528 16.871 ( -9.126 7.153 0.000) 11.595 17.367 ( -5.179 7.611 0.000) 9.206 17.425 ( -2.838 3.506 0.000) 4.510 18.073 ( 3.769 -9.246 0.000) 9.985 18.261 ( 5.427 -0.365 0.000) 5.439 18.286 ( 1.172 -1.556 0.000) 1.948 18.598 ( 6.478 -7.509 0.000) 9.917 19.003 ( -6.368 -12.809 0.000) 14.305 19.712 ( 11.677 -5.648 0.000) 12.971 20.458 ( -7.512 -17.079 0.000) 18.658 ======================= Grid point 70 (34/132) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.910 ( 0.388 6.989 0.000) 7.000 8.313 ( 4.457 4.894 0.000) 6.620 8.432 ( -3.345 18.934 0.000) 19.228 8.650 ( -10.876 27.818 0.000) 29.868 9.119 ( -3.344 8.583 0.000) 9.211 9.333 ( -8.719 13.628 0.000) 16.178 9.419 ( -2.219 -2.078 0.000) 3.040 9.453 ( -12.057 24.061 0.000) 26.913 10.802 ( 7.473 0.687 0.000) 7.504 10.929 ( -0.908 0.826 0.000) 1.227 12.800 ( 10.561 -9.986 0.000) 14.535 13.034 ( 12.757 -11.040 0.000) 16.871 16.570 ( 2.684 2.574 0.000) 3.719 16.684 ( -8.500 2.971 0.000) 9.004 16.811 ( -6.826 8.677 0.000) 11.041 17.373 ( -4.541 8.927 0.000) 10.016 17.413 ( -3.140 4.680 0.000) 5.636 18.034 ( 4.324 -10.725 0.000) 11.564 18.294 ( 1.025 -1.172 0.000) 1.557 18.326 ( 3.051 -1.826 0.000) 3.555 18.620 ( 6.228 -9.805 0.000) 11.616 18.862 ( 0.263 -6.426 0.000) 6.431 19.892 ( 14.460 -5.101 0.000) 15.333 20.177 ( -5.103 -16.039 0.000) 16.832 ======================= Grid point 86 (35/132) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.967 ( 18.422 31.908 0.000) 36.845 7.093 ( 11.137 19.289 0.000) 22.273 7.144 ( 20.526 35.552 0.000) 41.052 7.782 ( 17.387 30.115 0.000) 34.774 8.644 ( 10.009 17.336 0.000) 20.018 8.918 ( 12.696 21.991 0.000) 25.392 9.362 ( 9.748 16.884 0.000) 19.496 9.515 ( 12.408 21.492 0.000) 24.816 10.131 ( -8.044 -13.933 0.000) 16.089 10.796 ( -0.000 -0.000 0.000) 0.000 11.660 ( 14.079 24.385 0.000) 28.158 11.777 ( 10.406 18.024 0.000) 20.813 16.517 ( 0.886 1.534 0.000) 1.771 16.749 ( 4.700 8.141 0.000) 9.400 17.257 ( -0.066 -0.115 0.000) 0.132 17.365 ( 0.304 0.526 0.000) 0.608 17.612 ( 3.205 5.551 0.000) 6.409 17.866 ( 4.606 7.978 0.000) 9.212 18.214 ( -9.954 -17.240 0.000) 19.907 18.347 ( -1.693 -2.932 0.000) 3.385 18.381 ( 0.926 1.603 0.000) 1.851 19.589 ( -4.718 -8.171 0.000) 9.436 19.894 ( -16.281 -28.199 0.000) 32.561 21.083 ( -9.488 -16.434 0.000) 18.976 ======================= Grid point 87 (36/132) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.458 ( 10.290 16.226 0.000) 19.214 7.550 ( 16.379 23.883 0.000) 28.959 7.796 ( 16.090 31.097 0.000) 35.013 8.323 ( 11.078 28.534 0.000) 30.609 8.944 ( 7.053 12.906 0.000) 14.707 9.331 ( 7.547 24.764 0.000) 25.889 9.614 ( -3.623 23.525 0.000) 23.802 9.863 ( -8.160 -11.055 0.000) 13.741 9.960 ( 20.067 11.010 0.000) 22.889 10.812 ( 1.597 0.213 0.000) 1.612 12.099 ( 12.113 7.495 0.000) 14.245 12.117 ( 16.640 12.837 0.000) 21.017 16.530 ( -0.475 0.933 0.000) 1.047 16.904 ( 2.776 7.886 0.000) 8.360 17.203 ( -8.157 5.495 0.000) 9.836 17.409 ( 4.174 -1.434 0.000) 4.413 17.632 ( -7.672 4.277 0.000) 8.784 17.915 ( 3.154 -9.746 0.000) 10.243 18.083 ( 3.717 2.257 0.000) 4.348 18.293 ( -1.927 -0.825 0.000) 2.096 18.414 ( 3.445 -3.288 0.000) 4.763 19.368 ( -13.933 -23.270 0.000) 27.123 19.481 ( 0.716 -6.379 0.000) 6.419 20.751 ( -9.415 -17.296 0.000) 19.693 ======================= Grid point 88 (37/132) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.759 ( 7.577 12.866 0.000) 14.931 7.996 ( 12.244 15.604 0.000) 19.834 8.306 ( 9.978 25.652 0.000) 27.524 8.730 ( 5.026 25.338 0.000) 25.831 9.143 ( 2.574 10.604 0.000) 10.912 9.559 ( -3.824 -2.039 0.000) 4.334 9.722 ( -10.697 23.734 0.000) 26.033 9.738 ( -3.008 21.690 0.000) 21.897 10.392 ( 17.261 8.712 0.000) 19.335 10.855 ( 3.218 0.347 0.000) 3.237 12.340 ( 12.950 -2.698 0.000) 13.228 12.469 ( 16.432 -0.018 0.000) 16.432 16.526 ( -0.063 -0.352 0.000) 0.358 16.962 ( -4.689 5.760 0.000) 7.427 17.111 ( -9.582 7.498 0.000) 12.167 17.460 ( 2.072 0.474 0.000) 2.126 17.532 ( -6.367 5.484 0.000) 8.403 17.897 ( 4.876 -10.306 0.000) 11.401 18.185 ( 4.217 1.948 0.000) 4.645 18.269 ( -0.386 0.027 0.000) 0.387 18.428 ( 4.116 -7.133 0.000) 8.235 18.983 ( -7.790 -15.253 0.000) 17.127 19.488 ( 6.905 -5.472 0.000) 8.811 20.420 ( -8.486 -17.814 0.000) 19.733 ======================= Grid point 89 (38/132) ======================= q-point: ( 0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.965 ( 2.942 9.530 0.000) 9.974 8.275 ( 6.637 7.457 0.000) 9.983 8.639 ( 2.010 19.652 0.000) 19.754 8.996 ( -0.990 20.332 0.000) 20.356 9.253 ( -1.106 9.412 0.000) 9.477 9.413 ( -3.565 -6.419 0.000) 7.343 9.735 ( -14.831 24.264 0.000) 28.437 9.937 ( -8.899 31.116 0.000) 32.364 10.680 ( 8.474 2.647 0.000) 8.878 10.935 ( 3.321 3.997 0.000) 5.196 12.490 ( 12.204 -11.038 0.000) 16.455 12.678 ( 14.275 -11.186 0.000) 18.136 16.533 ( 1.609 -0.753 0.000) 1.776 16.877 ( -8.556 3.189 0.000) 9.131 17.035 ( -8.500 9.142 0.000) 12.483 17.488 ( -0.466 2.486 0.000) 2.530 17.532 ( -3.228 8.777 0.000) 9.352 17.863 ( 3.151 -9.497 0.000) 10.006 18.255 ( 3.316 -0.987 0.000) 3.460 18.277 ( 0.698 0.707 0.000) 0.993 18.415 ( 4.750 -10.383 0.000) 11.418 18.794 ( -1.171 -8.468 0.000) 8.548 19.604 ( 12.159 -5.016 0.000) 13.153 20.111 ( -6.666 -17.273 0.000) 18.515 ======================= Grid point 90 (39/132) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.039 ( -3.375 5.846 0.000) 6.751 8.370 ( -0.608 1.053 0.000) 1.216 8.756 ( -7.861 13.616 0.000) 15.722 9.089 ( -8.284 14.349 0.000) 16.569 9.293 ( -4.583 7.938 0.000) 9.166 9.347 ( 1.499 -2.597 0.000) 2.999 9.722 ( -14.982 25.950 0.000) 29.964 10.018 ( -16.845 29.176 0.000) 33.689 10.756 ( 1.950 -3.377 0.000) 3.899 10.998 ( -2.600 4.503 0.000) 5.200 12.540 ( 9.118 -15.793 0.000) 18.236 12.744 ( 10.117 -17.523 0.000) 20.234 16.551 ( 1.045 -1.810 0.000) 2.090 16.803 ( -3.244 5.619 0.000) 6.489 17.007 ( -6.196 10.732 0.000) 12.392 17.496 ( -1.805 3.127 0.000) 3.610 17.554 ( -5.109 8.850 0.000) 10.219 17.839 ( 4.332 -7.504 0.000) 8.664 18.279 ( 1.716 -2.971 0.000) 3.431 18.291 ( -0.632 1.095 0.000) 1.265 18.400 ( 6.794 -11.768 0.000) 13.588 18.746 ( 3.084 -5.342 0.000) 6.168 19.751 ( 6.040 -10.461 0.000) 12.079 19.901 ( 5.487 -9.505 0.000) 10.975 ======================= Grid point 108 (40/132) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.758 ( 7.926 13.728 0.000) 15.851 7.968 ( 10.201 17.668 0.000) 20.401 8.348 ( 13.904 24.082 0.000) 27.807 8.811 ( 11.662 20.200 0.000) 23.325 9.175 ( 5.776 10.004 0.000) 11.552 9.575 ( -4.079 -7.065 0.000) 8.158 9.892 ( 11.859 20.540 0.000) 23.717 10.095 ( 11.211 19.419 0.000) 22.423 10.144 ( 6.965 12.063 0.000) 13.929 10.825 ( 0.782 1.355 0.000) 1.564 12.202 ( 1.668 2.890 0.000) 3.337 12.315 ( 3.969 6.875 0.000) 7.939 16.524 ( -0.627 -1.086 0.000) 1.254 17.039 ( 2.315 4.010 0.000) 4.631 17.295 ( 1.197 2.072 0.000) 2.393 17.384 ( 0.328 0.568 0.000) 0.656 17.676 ( -1.011 -1.752 0.000) 2.023 17.738 ( -1.993 -3.452 0.000) 3.986 18.157 ( 1.943 3.365 0.000) 3.885 18.293 ( 0.274 0.474 0.000) 0.548 18.337 ( -2.379 -4.121 0.000) 4.759 18.974 ( -9.100 -15.762 0.000) 18.200 19.396 ( -1.122 -1.944 0.000) 2.244 20.403 ( -10.015 -17.347 0.000) 20.030 ======================= Grid point 109 (41/132) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.996 ( 5.223 10.712 0.000) 11.917 8.244 ( 6.273 9.035 0.000) 10.999 8.748 ( 7.579 18.746 0.000) 20.220 9.127 ( 4.920 14.445 0.000) 15.260 9.331 ( 2.031 7.516 0.000) 7.785 9.412 ( -4.141 -7.117 0.000) 8.234 10.223 ( -10.186 24.364 0.000) 26.408 10.305 ( 4.095 29.416 0.000) 29.699 10.545 ( 14.066 6.945 0.000) 15.687 10.895 ( 5.461 4.748 0.000) 7.236 12.222 ( 4.595 -9.167 0.000) 10.254 12.390 ( 5.568 -7.945 0.000) 9.701 16.508 ( 0.340 -0.699 0.000) 0.778 17.010 ( -5.911 -2.743 0.000) 6.516 17.269 ( -7.728 8.199 0.000) 11.267 17.452 ( 5.607 -1.069 0.000) 5.708 17.646 ( -1.325 5.634 0.000) 5.788 17.748 ( 3.029 -2.619 0.000) 4.004 18.203 ( 1.597 -0.269 0.000) 1.620 18.242 ( -0.654 -7.232 0.000) 7.261 18.319 ( 0.745 0.831 0.000) 1.116 18.744 ( -3.551 -9.059 0.000) 9.730 19.409 ( 5.098 -2.213 0.000) 5.557 20.070 ( -8.474 -16.900 0.000) 18.906 ======================= Grid point 110 (42/132) ======================= q-point: ( 0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.138 ( 0.057 7.727 0.000) 7.727 8.368 ( 2.126 1.902 0.000) 2.853 8.973 ( -1.055 14.156 0.000) 14.195 9.268 ( -1.349 8.311 0.000) 8.420 9.314 ( -0.966 -3.429 0.000) 3.562 9.402 ( -0.470 4.525 0.000) 4.549 10.264 ( -13.790 25.768 0.000) 29.226 10.569 ( -9.887 31.634 0.000) 33.143 10.702 ( 2.560 0.507 0.000) 2.610 11.080 ( 2.253 10.768 0.000) 11.001 12.199 ( 9.222 -17.979 0.000) 20.206 12.376 ( 9.510 -18.822 0.000) 21.089 16.526 ( 1.178 0.729 0.000) 1.385 16.864 ( -3.666 -4.834 0.000) 6.067 17.229 ( -7.109 10.007 0.000) 12.275 17.519 ( 1.870 0.597 0.000) 1.963 17.703 ( -1.624 7.927 0.000) 8.092 17.764 ( 0.170 0.024 0.000) 0.171 18.177 ( 4.326 -11.297 0.000) 12.097 18.214 ( 1.859 -3.065 0.000) 3.584 18.336 ( -1.292 3.179 0.000) 3.431 18.651 ( 1.018 -6.002 0.000) 6.088 19.519 ( 9.848 -3.287 0.000) 10.382 19.792 ( -4.731 -14.141 0.000) 14.911 ======================= Grid point 129 (43/132) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.179 ( 4.299 7.445 0.000) 8.597 8.354 ( 1.295 2.243 0.000) 2.590 9.057 ( 7.041 12.195 0.000) 14.082 9.306 ( -2.005 -3.472 0.000) 4.009 9.325 ( 3.412 5.910 0.000) 6.824 9.418 ( 0.678 1.174 0.000) 1.355 10.558 ( 4.732 8.196 0.000) 9.464 10.672 ( 2.739 4.744 0.000) 5.478 10.857 ( 14.271 24.718 0.000) 28.542 11.120 ( 10.379 17.977 0.000) 20.758 11.987 ( -7.872 -13.634 0.000) 15.743 12.164 ( -8.017 -13.885 0.000) 16.033 16.521 ( 1.332 2.306 0.000) 2.663 16.864 ( -5.598 -9.696 0.000) 11.196 17.426 ( 2.383 4.128 0.000) 4.767 17.428 ( 1.032 1.787 0.000) 2.064 17.751 ( 2.923 5.064 0.000) 5.847 17.784 ( 2.088 3.616 0.000) 4.175 18.073 ( -4.576 -7.926 0.000) 9.152 18.177 ( -1.156 -2.002 0.000) 2.312 18.370 ( 1.545 2.676 0.000) 3.090 18.609 ( -2.705 -4.684 0.000) 5.409 19.409 ( 1.366 2.366 0.000) 2.732 19.763 ( -7.789 -13.491 0.000) 15.579 ======================= Grid point 130 (44/132) ======================= q-point: ( 0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.267 ( -2.865 4.962 0.000) 5.730 8.362 ( 1.150 -1.991 0.000) 2.299 9.200 ( -4.499 7.793 0.000) 8.998 9.272 ( 0.533 -0.923 0.000) 1.066 9.371 ( -1.544 2.675 0.000) 3.089 9.419 ( 1.247 -2.159 0.000) 2.493 10.631 ( -5.262 9.115 0.000) 10.525 10.713 ( -0.291 0.504 0.000) 0.582 11.165 ( -15.232 26.383 0.000) 30.464 11.390 ( -11.084 19.198 0.000) 22.168 11.790 ( 12.437 -21.541 0.000) 24.873 11.956 ( 12.348 -21.387 0.000) 24.696 16.573 ( -2.147 3.718 0.000) 4.293 16.729 ( 3.939 -6.823 0.000) 7.878 17.415 ( -4.470 7.743 0.000) 8.941 17.510 ( 1.005 -1.740 0.000) 2.009 17.814 ( -1.898 3.288 0.000) 3.796 17.825 ( -1.835 3.179 0.000) 3.671 17.980 ( 3.892 -6.741 0.000) 7.784 18.149 ( 1.473 -2.551 0.000) 2.946 18.400 ( -1.296 2.244 0.000) 2.591 18.561 ( 1.547 -2.679 0.000) 3.093 19.478 ( 0.453 -0.785 0.000) 0.907 19.579 ( 3.603 -6.242 0.000) 7.207 ======================= Grid point 421 (45/132) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 -0.000 51.548) 51.548 0.996 ( 0.000 0.000 51.548) 51.548 1.717 ( 0.000 0.000 88.644) 88.644 3.413 ( -0.000 0.000 -24.653) 24.653 3.413 ( 0.000 -0.000 -24.653) 24.653 5.763 ( -0.000 0.000 -39.026) 39.026 7.022 ( 0.000 0.000 13.240) 13.240 7.022 ( 0.000 0.000 13.240) 13.240 7.840 ( 0.000 0.000 -7.711) 7.711 7.840 ( 0.000 -0.000 -7.711) 7.711 12.874 ( -0.000 0.000 18.921) 18.921 14.119 ( 0.000 0.000 -12.302) 12.302 16.170 ( 0.000 0.000 1.700) 1.700 16.170 ( 0.000 -0.000 1.700) 1.700 16.325 ( -0.000 0.000 -2.046) 2.046 16.325 ( -0.000 0.000 -2.046) 2.046 17.379 ( -0.000 -0.000 1.717) 1.717 17.379 ( -0.000 -0.000 1.717) 1.717 17.505 ( 0.000 -0.000 -1.350) 1.350 17.505 ( -0.000 -0.000 -1.350) 1.350 23.045 ( 0.000 -0.000 2.368) 2.368 23.274 ( 0.000 0.000 -3.821) 3.821 23.465 ( 0.000 0.000 2.011) 2.011 23.538 ( -0.000 0.000 -0.426) 0.426 ======================= Grid point 422 (46/132) ======================= q-point: ( 0.05 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 35.797 20.667 34.199) 53.649 1.652 ( 33.940 19.595 44.060) 58.968 2.371 ( 56.816 32.803 51.828) 83.608 3.582 ( 14.223 8.211 -23.381) 28.572 3.772 ( 28.898 16.684 -23.502) 40.814 5.678 ( -5.476 -3.161 -30.966) 31.605 7.068 ( 3.969 2.292 13.026) 13.809 7.335 ( 25.168 14.531 9.308) 30.515 7.873 ( 2.820 1.628 -7.585) 8.255 8.225 ( 20.189 11.656 -16.069) 28.314 12.599 ( -21.401 -12.356 13.112) 27.975 12.617 ( -47.991 -27.708 36.918) 66.586 16.170 ( -0.037 -0.022 1.928) 1.929 16.246 ( 5.090 2.939 3.290) 6.736 16.345 ( 1.685 0.973 -2.332) 3.037 16.430 ( 7.972 4.603 -1.865) 9.393 17.371 ( -0.705 -0.407 1.786) 1.963 17.485 ( 8.338 4.814 4.093) 10.462 17.500 ( -0.414 -0.239 -1.357) 1.439 18.252 ( 21.704 12.531 -28.802) 38.179 21.990 ( -50.701 -29.272 49.025) 76.360 22.967 ( -6.681 -3.858 1.984) 7.966 23.079 ( -27.738 -16.015 -3.263) 32.195 23.153 ( -12.948 -7.475 -2.255) 15.120 ======================= Grid point 423 (47/132) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 42.569 24.577 20.716) 53.342 2.458 ( 37.836 21.845 34.362) 55.584 3.906 ( 70.475 40.689 22.750) 84.498 4.032 ( 23.973 13.841 -20.420) 34.398 4.575 ( 36.305 20.961 -26.375) 49.528 5.634 ( 5.109 2.949 -12.116) 13.476 7.200 ( 7.267 4.196 12.420) 14.989 7.966 ( 5.170 2.985 -7.235) 9.380 8.072 ( 36.876 21.291 3.635) 42.736 8.688 ( 21.283 12.288 -9.002) 26.173 11.931 ( -20.153 -11.635 11.097) 25.781 12.034 ( -25.212 -14.556 5.817) 29.687 16.171 ( 0.200 0.116 2.470) 2.481 16.399 ( 2.913 1.682 -3.103) 4.577 16.413 ( 9.253 5.342 3.262) 11.171 16.642 ( 9.870 5.699 -2.562) 11.681 17.344 ( -1.736 -1.002 2.114) 2.913 17.488 ( -0.617 -0.356 -1.445) 1.612 17.709 ( 10.231 5.907 7.020) 13.742 18.505 ( 4.679 2.701 -15.387) 16.308 21.196 ( -26.902 -15.532 22.240) 38.204 22.264 ( -38.519 -22.239 -8.012) 45.194 22.752 ( -11.647 -6.725 0.827) 13.474 22.805 ( -17.885 -10.326 -0.369) 20.656 ======================= Grid point 424 (48/132) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 42.504 24.540 21.305) 53.504 3.404 ( 42.594 24.592 14.123) 51.171 4.645 ( 28.594 16.509 -17.053) 37.161 5.204 ( 19.394 11.197 -30.741) 38.033 5.508 ( 66.033 38.124 11.605) 77.127 6.097 ( 34.687 20.026 7.761) 40.798 7.395 ( 9.491 5.479 11.496) 15.882 8.104 ( 6.725 3.883 -6.722) 10.271 8.964 ( 39.632 22.882 -1.612) 45.792 9.227 ( 25.599 14.779 -5.361) 30.041 11.506 ( -19.049 -10.998 2.945) 22.192 11.533 ( -16.383 -9.459 2.981) 19.151 16.180 ( 0.565 0.326 3.086) 3.154 16.475 ( 3.612 2.085 -4.275) 5.972 16.655 ( 11.307 6.528 2.622) 13.317 16.872 ( 10.073 5.815 -2.876) 11.981 17.290 ( -2.978 -1.719 2.947) 4.529 17.472 ( -0.758 -0.437 -1.709) 1.920 17.934 ( 9.168 5.293 7.062) 12.725 18.558 ( 0.649 0.375 -8.884) 8.915 20.595 ( -26.269 -15.167 11.698) 32.511 21.404 ( -35.127 -20.281 -8.902) 41.526 22.351 ( -21.278 -12.285 2.013) 24.652 22.449 ( -14.256 -8.231 -0.688) 16.476 ======================= Grid point 425 (49/132) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( 40.430 23.342 10.208) 47.787 4.387 ( 43.690 25.225 12.482) 51.970 5.319 ( 29.439 16.996 -13.840) 36.702 5.615 ( 19.066 11.008 -20.823) 30.303 6.893 ( 48.011 27.719 9.288) 56.211 7.040 ( 48.844 28.200 5.720) 56.690 7.627 ( 10.572 6.103 10.336) 15.995 8.268 ( 7.381 4.261 -6.109) 10.486 9.841 ( 32.571 18.805 -4.871) 37.924 9.881 ( 34.306 19.807 -4.349) 39.852 11.140 ( -12.863 -7.426 2.081) 14.997 11.197 ( -12.279 -7.089 2.454) 14.389 16.197 ( 0.884 0.510 3.577) 3.720 16.560 ( 3.660 2.113 -5.894) 7.253 16.910 ( 10.349 5.975 2.359) 12.181 17.112 ( 11.000 6.351 -2.651) 12.976 17.209 ( -3.956 -2.284 4.468) 6.390 17.451 ( -1.138 -0.657 -2.090) 2.468 18.132 ( 8.087 4.669 5.129) 10.653 18.553 ( -0.867 -0.501 -5.435) 5.527 19.981 ( -26.807 -15.477 8.326) 32.055 20.678 ( -27.591 -15.929 -9.378) 33.210 21.837 ( -23.195 -13.392 4.829) 27.215 22.111 ( -14.879 -8.590 -2.420) 17.350 ======================= Grid point 426 (50/132) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.254 ( 36.872 21.288 7.468) 43.226 5.375 ( 41.670 24.058 6.644) 48.573 5.981 ( 27.798 16.049 -10.882) 33.893 6.101 ( 22.731 13.124 -12.451) 29.051 7.760 ( 31.551 18.216 10.819) 38.004 7.873 ( 10.647 6.147 9.012) 15.243 8.191 ( 45.682 26.375 -0.813) 52.756 8.438 ( 7.224 4.171 -5.443) 9.960 10.487 ( 17.784 10.268 -5.654) 21.299 10.619 ( 22.277 12.862 -5.218) 26.248 10.945 ( 2.849 1.645 3.274) 4.642 11.079 ( 7.973 4.603 3.485) 9.845 16.219 ( 1.048 0.605 3.802) 3.990 16.636 ( 2.702 1.560 -8.027) 8.611 17.114 ( -4.063 -2.346 6.705) 8.183 17.114 ( 7.167 4.138 3.076) 8.829 17.377 ( 11.739 6.778 -3.280) 13.947 17.418 ( -1.761 -1.017 -2.415) 3.157 18.307 ( 6.971 4.025 2.593) 8.456 18.526 ( -1.189 -0.686 -2.944) 3.248 19.385 ( -24.245 -13.998 8.136) 29.154 20.143 ( -18.939 -10.934 -11.935) 24.913 21.292 ( -23.870 -13.781 8.981) 28.989 21.773 ( -14.343 -8.281 -4.201) 17.086 ======================= Grid point 427 (51/132) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.049 ( 31.971 18.459 5.367) 37.305 6.283 ( 36.829 21.263 2.566) 42.604 6.585 ( 24.447 14.115 -8.214) 29.400 6.632 ( 22.820 13.175 -6.623) 27.170 8.111 ( 9.881 5.705 7.612) 13.716 8.364 ( 20.806 12.012 11.101) 26.465 8.596 ( 6.451 3.725 -4.754) 8.837 9.091 ( 32.328 18.665 -6.982) 37.977 10.440 ( -9.186 -5.303 3.720) 11.240 10.802 ( 1.669 0.964 -4.551) 4.943 11.496 ( 33.838 19.536 1.826) 39.115 11.633 ( 29.895 17.260 -1.282) 34.544 16.243 ( 1.009 0.583 3.684) 3.864 16.671 ( 0.067 0.039 -9.652) 9.652 17.036 ( -2.377 -1.372 8.553) 8.983 17.225 ( 2.039 1.177 4.519) 5.095 17.370 ( -2.375 -1.371 -2.527) 3.729 17.636 ( 10.372 5.988 -5.501) 13.179 18.419 ( 1.359 0.785 0.647) 1.698 18.536 ( 3.362 1.941 -1.549) 4.180 18.907 ( -16.165 -9.333 9.465) 20.929 19.794 ( -11.956 -6.903 -16.785) 21.734 20.760 ( -21.685 -12.520 15.130) 29.256 21.454 ( -13.426 -7.752 -5.673) 16.508 ======================= Grid point 428 (52/132) ======================= q-point: ( 0.35 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.714 ( 25.617 14.790 3.740) 29.816 7.039 ( 27.078 15.634 0.042) 31.267 7.096 ( 19.779 11.420 -5.956) 23.603 7.141 ( 22.467 12.971 -2.885) 26.102 8.322 ( 8.368 4.831 6.277) 11.522 8.722 ( 10.719 6.189 10.448) 16.197 8.732 ( 5.269 3.042 -4.086) 7.329 9.641 ( 13.161 7.598 -16.423) 22.375 10.297 ( 0.074 0.042 13.337) 13.337 10.860 ( 3.499 2.020 -4.409) 5.980 12.268 ( 31.561 18.222 0.015) 36.443 12.283 ( 25.963 14.990 -0.230) 29.980 16.264 ( 0.794 0.459 3.235) 3.362 16.635 ( -2.973 -1.717 -7.822) 8.542 17.012 ( 0.156 0.090 6.986) 6.989 17.191 ( -4.885 -2.821 6.599) 8.682 17.311 ( -2.640 -1.524 -2.355) 3.852 17.837 ( 6.682 3.858 -10.147) 12.747 18.408 ( -0.833 -0.481 1.776) 2.020 18.603 ( -0.390 -0.225 1.313) 1.388 18.720 ( 1.568 0.905 6.456) 6.705 19.553 ( -9.940 -5.739 -19.573) 22.690 20.340 ( -13.683 -7.900 20.079) 25.549 21.155 ( -12.576 -7.261 -6.397) 15.868 ======================= Grid point 429 (53/132) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.217 ( 17.847 10.304 2.583) 20.769 7.481 ( 14.158 8.174 1.633) 16.429 7.487 ( 14.007 8.087 -4.288) 16.732 7.688 ( 21.832 12.605 -3.610) 25.467 8.491 ( 6.143 3.547 5.191) 8.790 8.837 ( 3.803 2.196 -3.509) 5.621 8.884 ( 4.013 2.317 8.822) 9.965 9.676 ( -5.869 -3.388 -13.017) 14.675 10.490 ( 12.834 7.410 9.764) 17.747 10.947 ( 3.572 2.063 -3.648) 5.507 12.795 ( 18.532 10.699 1.488) 21.451 12.915 ( 23.757 13.716 -1.393) 27.468 16.279 ( 0.495 0.286 2.583) 2.646 16.555 ( -3.550 -2.050 -4.801) 6.313 17.028 ( 0.954 0.551 4.205) 4.347 17.036 ( -7.499 -4.329 8.468) 12.111 17.253 ( -2.303 -1.330 -1.959) 3.303 17.930 ( 1.502 0.867 -16.827) 16.916 18.417 ( 1.738 1.003 3.292) 3.856 18.617 ( 2.416 1.395 7.485) 7.988 18.810 ( 3.772 2.178 -0.235) 4.362 19.318 ( -9.970 -5.756 -10.669) 15.697 20.160 ( -2.201 -1.271 14.568) 14.788 20.874 ( -11.813 -6.820 -6.043) 14.919 ======================= Grid point 430 (54/132) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.528 ( 9.093 5.250 1.918) 10.673 7.727 ( 7.237 4.178 3.802) 9.181 7.733 ( 7.306 4.218 -3.328) 9.069 8.089 ( 12.484 7.208 -5.310) 15.362 8.600 ( 3.278 1.892 4.509) 5.887 8.904 ( 2.043 1.179 -3.113) 3.906 8.936 ( 0.991 0.572 7.105) 7.197 9.521 ( -6.083 -3.512 -7.853) 10.536 10.756 ( 9.206 5.315 4.212) 11.434 11.003 ( 1.053 0.608 -2.196) 2.510 13.123 ( 9.710 5.606 2.764) 11.548 13.338 ( 12.605 7.277 -2.420) 14.755 16.287 ( 0.217 0.126 1.988) 2.004 16.486 ( -2.207 -1.274 -3.036) 3.964 16.888 ( -4.770 -2.754 9.338) 10.841 17.048 ( 0.638 0.369 2.608) 2.710 17.210 ( -1.343 -0.776 -1.542) 2.188 17.927 ( -1.084 -0.626 -21.723) 21.759 18.467 ( 2.069 1.195 3.464) 4.208 18.693 ( 3.673 2.120 10.254) 11.096 18.856 ( -0.109 -0.063 -3.127) 3.130 19.139 ( -4.865 -2.809 0.800) 5.675 20.202 ( 5.021 2.899 5.437) 7.948 20.614 ( -10.680 -6.166 -4.385) 13.088 ======================= Grid point 431 (55/132) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 283 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.633 ( -0.000 -0.000 1.710) 1.710 7.811 ( -0.000 -0.000 4.664) 4.664 7.818 ( 0.000 0.000 -3.030) 3.030 8.238 ( 0.000 0.000 -6.121) 6.121 8.638 ( 0.000 0.000 4.282) 4.282 8.928 ( 0.000 0.000 -2.974) 2.974 8.945 ( 0.000 0.000 6.378) 6.378 9.443 ( 0.000 0.000 -6.295) 6.295 10.876 ( 0.000 0.000 2.153) 2.153 11.004 ( -0.000 -0.000 -1.086) 1.086 13.235 ( 0.000 0.000 3.211) 3.211 13.484 ( 0.000 0.000 -2.791) 2.791 16.290 ( 0.000 0.000 1.745) 1.745 16.460 ( 0.000 0.000 -2.491) 2.491 16.832 ( 0.000 0.000 9.540) 9.540 17.055 ( 0.000 0.000 2.123) 2.123 17.194 ( 0.000 0.000 -1.363) 1.363 17.910 ( 0.000 0.000 -23.281) 23.281 18.493 ( 0.000 0.000 3.308) 3.308 18.754 ( -0.000 -0.000 15.957) 15.957 18.831 ( 0.000 0.000 -7.753) 7.753 19.090 ( 0.000 0.000 3.866) 3.866 20.330 ( -0.000 -0.000 0.323) 0.323 20.423 ( 0.000 0.000 -1.879) 1.879 ======================= Grid point 443 (56/132) ======================= q-point: ( 0.05 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 24.573 42.561 23.279) 54.380 2.228 ( 20.801 36.028 38.146) 56.443 3.467 ( 40.037 69.347 27.577) 84.690 3.898 ( 13.098 22.687 -21.244) 33.728 4.342 ( 21.176 36.677 -24.481) 48.918 5.618 ( -0.044 -0.077 -18.367) 18.368 7.162 ( 3.998 6.925 12.620) 14.939 7.846 ( 19.864 34.406 5.065) 40.050 7.940 ( 2.966 5.138 -7.280) 9.391 8.556 ( 11.536 19.982 -10.612) 25.396 12.064 ( -13.435 -23.270 15.965) 31.255 12.190 ( -14.802 -25.637 7.269) 30.482 16.195 ( 0.942 1.631 2.104) 2.824 16.281 ( 1.318 2.283 1.435) 3.002 16.446 ( 4.395 7.613 -0.472) 8.803 16.571 ( 5.305 9.189 -2.601) 10.925 17.369 ( -0.238 -0.412 1.622) 1.690 17.471 ( -0.649 -1.124 -0.184) 1.311 17.654 ( 5.755 9.968 5.672) 12.832 18.468 ( 3.967 6.871 -18.245) 19.896 21.367 ( -16.724 -28.966 27.454) 43.272 22.500 ( -21.875 -37.888 -7.153) 44.330 22.820 ( -6.094 -10.555 1.184) 12.245 22.912 ( -9.534 -16.514 -0.993) 19.095 ======================= Grid point 444 (57/132) ======================= q-point: ( 0.10 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 31.215 35.757 25.139) 53.711 3.080 ( 32.028 39.540 16.033) 53.350 4.438 ( 20.570 26.218 -17.912) 37.834 4.932 ( 50.413 57.916 13.129) 77.898 5.033 ( 20.896 22.103 -30.290) 42.926 5.839 ( 18.866 20.653 3.662) 28.211 7.336 ( 6.540 9.402 11.862) 16.489 8.066 ( 4.619 6.987 -6.864) 10.829 8.630 ( 29.890 33.218 0.089) 44.686 9.011 ( 18.304 19.597 -6.369) 27.562 11.660 ( -13.104 -14.980 4.332) 20.368 11.680 ( -16.225 -19.051 3.839) 25.316 16.213 ( -1.635 3.722 2.419) 4.730 16.362 ( 6.802 -1.407 -0.404) 6.958 16.628 ( 5.318 11.990 0.027) 13.116 16.774 ( 8.260 7.401 -3.130) 11.524 17.343 ( -3.022 0.687 2.023) 3.701 17.455 ( 0.832 -2.371 -0.436) 2.550 17.858 ( 6.968 8.131 6.901) 12.740 18.544 ( 1.254 0.931 -10.681) 10.795 20.807 ( -19.623 -22.748 14.249) 33.250 21.697 ( -28.032 -32.548 -8.827) 43.853 22.520 ( -15.370 -17.798 1.149) 23.544 22.562 ( -10.285 -11.971 -0.118) 15.783 ======================= Grid point 445 (58/132) ======================= q-point: ( 0.15 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( 36.405 34.448 15.198) 52.373 4.027 ( 33.270 36.596 11.633) 50.808 5.090 ( 23.178 27.512 -14.917) 38.944 5.446 ( 14.747 13.650 -24.808) 31.926 6.381 ( 51.066 47.227 8.311) 70.051 6.607 ( 35.085 29.979 8.663) 46.955 7.565 ( 7.631 11.617 10.846) 17.630 8.231 ( 5.168 8.761 -6.253) 11.940 9.493 ( 32.783 29.079 -4.249) 44.027 9.576 ( 24.439 19.965 -4.198) 31.835 11.267 ( -12.667 -12.043 2.571) 17.666 11.313 ( -11.909 -12.323 1.912) 17.244 16.223 ( -1.408 3.847 2.968) 5.059 16.469 ( 6.898 -1.118 -2.550) 7.439 16.854 ( 6.474 11.591 0.036) 13.277 17.000 ( 9.706 7.004 -2.910) 12.318 17.282 ( -4.806 0.891 3.389) 5.948 17.448 ( 0.557 -1.659 -0.950) 1.991 18.049 ( 7.088 5.851 5.800) 10.868 18.550 ( -0.065 -1.163 -6.686) 6.786 20.221 ( -22.302 -21.860 9.116) 32.532 20.938 ( -25.592 -25.354 -8.985) 37.128 22.043 ( -18.755 -18.286 3.596) 26.440 22.243 ( -12.300 -12.196 -1.709) 17.405 ======================= Grid point 446 (59/132) ======================= q-point: ( 0.20 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.938 ( 32.056 33.539 8.298) 47.131 4.963 ( 37.273 31.921 8.840) 49.864 5.762 ( 22.694 26.883 -12.089) 37.200 5.885 ( 19.069 16.238 -15.079) 29.235 7.419 ( 31.723 25.221 9.881) 41.714 7.688 ( 44.893 33.728 1.440) 56.170 7.827 ( 8.540 14.604 9.820) 19.561 8.413 ( 4.882 10.356 -5.511) 12.707 10.215 ( 27.013 18.977 -4.376) 33.301 10.324 ( 30.132 22.782 -6.342) 38.304 10.982 ( -8.569 -8.130 2.610) 12.098 11.058 ( -4.123 -5.903 3.396) 7.961 16.241 ( -0.967 3.860 3.393) 5.229 16.573 ( 5.635 -0.109 -4.868) 7.447 17.051 ( 4.494 6.482 0.374) 7.896 17.209 ( -4.648 3.005 5.653) 7.912 17.251 ( 10.673 7.334 -3.300) 13.363 17.439 ( -0.475 -0.017 -1.195) 1.287 18.221 ( 7.112 4.016 3.593) 8.923 18.527 ( -0.595 -2.117 -4.045) 4.604 19.618 ( -22.405 -20.542 7.912) 31.409 20.329 ( -19.344 -18.582 -10.467) 28.793 21.517 ( -20.681 -18.559 6.975) 28.650 21.906 ( -12.631 -11.810 -3.458) 17.634 ======================= Grid point 447 (60/132) ======================= q-point: ( 0.25 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.778 ( 28.138 30.711 6.142) 42.103 5.897 ( 35.628 27.744 4.073) 45.339 6.382 ( 21.054 19.972 -9.225) 30.451 6.418 ( 20.223 22.287 -8.380) 31.239 8.046 ( 11.725 13.180 6.952) 18.961 8.149 ( 18.646 18.371 11.397) 28.549 8.551 ( 9.559 10.321 -4.736) 14.844 8.744 ( 29.961 25.224 -3.903) 39.360 10.526 ( -6.069 -4.683 -0.456) 7.680 10.771 ( 4.218 2.343 -5.099) 7.020 11.125 ( 28.122 15.611 3.275) 32.331 11.292 ( 27.405 15.342 -0.126) 31.408 16.265 ( -0.809 3.970 3.533) 5.375 16.654 ( 3.077 0.747 -7.474) 8.117 17.064 ( -3.301 -1.186 5.656) 6.656 17.253 ( 0.656 7.797 4.285) 8.921 17.392 ( -0.563 -0.608 -3.258) 3.362 17.537 ( 8.886 8.377 -2.991) 12.574 18.366 ( 5.539 1.592 1.248) 5.897 18.502 ( 0.848 -1.577 -1.985) 2.673 19.072 ( -17.924 -17.072 8.680) 26.231 19.901 ( -12.171 -13.209 -14.390) 23.015 20.974 ( -20.519 -17.960 12.153) 29.854 21.577 ( -12.022 -11.340 -5.096) 17.294 ======================= Grid point 448 (61/132) ======================= q-point: ( 0.30 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.511 ( 22.863 27.433 4.346) 35.975 6.724 ( 30.470 22.584 0.666) 37.933 6.908 ( 19.847 15.360 -4.305) 25.463 6.970 ( 16.404 23.119 -5.928) 28.961 8.301 ( 5.217 13.303 5.684) 15.379 8.599 ( 13.416 11.463 10.499) 20.534 8.725 ( 2.927 9.300 -3.747) 10.445 9.439 ( 22.404 15.466 -11.383) 29.508 10.329 ( -6.155 -5.348 8.562) 11.823 10.816 ( 2.833 0.448 -4.452) 5.296 11.872 ( 34.105 17.671 0.897) 38.422 11.954 ( 28.653 14.527 -0.996) 32.140 16.291 ( -0.989 4.143 3.348) 5.417 16.680 ( -1.546 1.227 -8.749) 8.969 17.003 ( -1.480 -1.587 8.065) 8.352 17.289 ( -4.415 4.350 4.945) 7.929 17.355 ( -2.904 0.156 -2.501) 3.836 17.762 ( 7.632 6.389 -6.908) 12.116 18.398 ( 0.085 -2.703 0.772) 2.812 18.564 ( 4.678 0.221 -2.130) 5.145 18.716 ( -5.808 -9.222 10.212) 14.935 19.622 ( -7.586 -10.455 -19.245) 23.178 20.484 ( -15.982 -14.919 18.588) 28.697 21.266 ( -11.094 -11.069 -6.204) 16.855 ======================= Grid point 449 (62/132) ======================= q-point: ( 0.35 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.103 ( 15.838 23.822 2.920) 28.755 7.322 ( 16.385 12.961 0.608) 20.900 7.396 ( 15.325 18.078 -4.848) 24.191 7.456 ( 18.985 18.447 -2.181) 26.561 8.499 ( 2.643 12.705 4.273) 13.663 8.833 ( 3.369 7.080 0.581) 7.862 8.860 ( 3.162 7.740 5.575) 10.049 9.714 ( -0.327 -0.323 -16.057) 16.063 10.349 ( 10.225 5.111 13.277) 17.520 10.890 ( 4.497 0.936 -4.140) 6.184 12.530 ( 23.568 9.693 0.625) 25.491 12.584 ( 29.422 12.898 -0.661) 32.132 16.313 ( -1.411 4.354 2.879) 5.407 16.631 ( -5.102 1.511 -6.261) 8.216 16.975 ( 0.087 -3.317 6.850) 7.611 17.197 ( -8.636 2.790 6.121) 10.947 17.302 ( -3.527 0.702 -2.250) 4.242 17.905 ( 3.243 2.642 -13.113) 13.764 18.379 ( 1.850 -2.288 2.474) 3.844 18.574 ( 2.042 -2.121 6.490) 7.127 18.727 ( 6.282 -0.900 1.042) 6.431 19.393 ( -7.583 -10.115 -16.538) 20.816 20.174 ( -5.385 -8.674 18.780) 21.376 20.973 ( -10.143 -10.985 -6.395) 16.262 ======================= Grid point 450 (63/132) ======================= q-point: ( 0.40 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.522 ( 7.220 19.930 1.880) 21.281 7.646 ( 9.325 8.498 3.065) 12.983 7.729 ( 5.022 15.957 -3.337) 17.058 7.932 ( 16.083 11.691 -3.919) 20.266 8.641 ( -0.150 11.222 3.150) 11.657 8.923 ( 0.145 6.223 -2.777) 6.816 8.950 ( 0.151 4.627 7.653) 8.944 9.591 ( -6.738 -4.761 -9.007) 12.215 10.631 ( 12.029 6.517 6.047) 14.958 10.967 ( 3.292 -0.125 -2.930) 4.409 12.945 ( 16.233 4.130 2.168) 16.890 13.115 ( 20.523 6.051 -1.927) 21.483 16.328 ( -1.939 4.645 2.253) 5.514 16.556 ( -5.198 2.208 -3.675) 6.738 16.903 ( -2.800 -5.850 7.876) 10.203 17.117 ( -4.645 5.124 4.154) 8.067 17.254 ( -3.171 1.378 -1.895) 3.943 17.930 ( -0.454 -1.139 -19.436) 19.475 18.419 ( 3.756 -0.708 3.268) 5.029 18.627 ( 4.729 -0.483 9.525) 10.646 18.806 ( 4.203 -2.606 -2.182) 5.405 19.180 ( -5.615 -7.655 -4.187) 10.376 20.116 ( 4.491 -3.286 9.765) 11.239 20.698 ( -9.064 -10.833 -5.406) 15.124 ======================= Grid point 451 (64/132) ======================= q-point: ( 0.45 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.741 ( -2.419 15.393 1.320) 15.638 7.812 ( 2.117 4.859 4.557) 6.990 7.893 ( -1.863 11.396 -2.362) 11.786 8.210 ( 5.814 4.851 -5.361) 9.278 8.715 ( -3.200 9.303 2.570) 10.168 8.966 ( -1.523 4.826 -2.799) 5.783 8.975 ( -1.599 3.643 6.621) 7.724 9.458 ( -3.189 -2.560 -5.863) 7.148 10.841 ( 5.806 3.251 2.356) 7.059 10.988 ( 0.602 -2.157 -1.327) 2.603 13.163 ( 7.369 -1.658 3.009) 8.130 13.396 ( 9.161 -1.487 -2.628) 9.646 16.338 ( -2.528 4.894 1.737) 5.776 16.507 ( -3.462 3.356 -2.497) 5.430 16.814 ( -0.726 -4.003 8.925) 9.808 17.109 ( -2.858 5.049 2.617) 6.364 17.225 ( -2.146 2.182 -1.590) 3.449 17.900 ( -0.174 -2.101 -22.611) 22.709 18.467 ( 2.337 -1.216 3.058) 4.036 18.703 ( 4.354 -1.435 13.672) 14.421 18.811 ( 0.786 -3.922 -5.374) 6.699 19.072 ( -0.325 -3.911 3.085) 4.992 20.225 ( 9.276 -0.693 2.110) 9.539 20.452 ( -6.846 -9.882 -3.044) 12.401 ======================= Grid point 464 (65/132) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 24.882 43.097 16.411) 52.400 3.928 ( 25.613 44.363 11.889) 52.587 5.035 ( 18.897 32.731 -15.139) 40.714 5.384 ( 9.788 16.953 -26.302) 32.787 6.162 ( 35.848 62.091 8.566) 72.206 6.448 ( 21.493 37.227 9.109) 43.941 7.564 ( 7.570 13.112 11.031) 18.733 8.236 ( 5.644 9.776 -6.245) 12.900 9.347 ( 21.762 37.693 -3.762) 43.686 9.458 ( 14.499 25.113 -4.482) 29.342 11.320 ( -9.270 -16.056 2.946) 18.772 11.355 ( -9.042 -15.662 1.714) 18.166 16.296 ( 1.952 3.382 1.874) 4.331 16.358 ( 1.122 1.943 0.254) 2.258 16.877 ( 7.277 12.605 -1.298) 14.613 16.934 ( 5.006 8.671 -3.365) 10.563 17.357 ( 0.034 0.058 1.714) 1.715 17.408 ( -0.939 -1.627 1.208) 2.233 18.016 ( 4.370 7.569 5.727) 10.450 18.543 ( -0.531 -0.920 -7.223) 7.300 20.306 ( -15.672 -27.145 9.533) 32.762 21.035 ( -18.833 -32.619 -8.891) 38.700 22.114 ( -13.009 -22.532 3.183) 26.211 22.289 ( -8.710 -15.085 -1.455) 17.480 ======================= Grid point 465 (66/132) ======================= q-point: ( 0.15 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.729 ( 29.772 39.472 9.795) 50.402 4.815 ( 27.048 41.417 8.927) 50.266 5.707 ( 19.556 33.181 -12.685) 40.551 5.769 ( 14.858 19.168 -16.393) 29.273 7.208 ( 25.101 32.446 9.240) 42.050 7.356 ( 37.684 46.063 2.710) 59.575 7.848 ( 8.202 16.539 10.161) 21.073 8.445 ( 5.560 12.432 -5.458) 14.672 10.005 ( 20.536 23.582 -3.618) 31.479 10.100 ( 25.080 30.629 -6.557) 40.127 11.041 ( -9.295 -11.758 2.461) 15.189 11.066 ( -5.876 -10.427 2.856) 12.305 16.325 ( -2.669 6.127 2.090) 7.003 16.452 ( 7.297 -0.436 -0.694) 7.342 17.076 ( 2.615 9.769 -2.762) 10.483 17.153 ( 9.606 8.425 -3.484) 13.244 17.324 ( -4.420 3.544 4.011) 6.942 17.416 ( 2.689 -1.210 1.339) 3.238 18.159 ( 4.922 5.127 3.844) 8.080 18.513 ( -0.819 -2.499 -4.801) 5.474 19.742 ( -18.544 -25.778 7.885) 32.719 20.432 ( -17.382 -24.740 -9.796) 31.783 21.633 ( -16.471 -22.644 6.006) 28.638 21.973 ( -10.405 -14.646 -3.035) 18.220 ======================= Grid point 466 (67/132) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.627 ( 30.844 34.615 5.085) 46.641 5.669 ( 25.471 38.427 6.608) 46.573 6.239 ( 17.628 20.233 -9.482) 28.461 6.379 ( 18.253 32.940 -9.639) 38.873 7.900 ( 21.843 23.044 8.531) 32.877 8.139 ( 9.192 19.008 7.510) 22.410 8.374 ( 28.777 30.984 -0.897) 42.295 8.680 ( 6.853 16.276 -4.337) 18.184 10.528 ( 7.379 6.484 -5.229) 11.128 10.701 ( 10.665 11.471 -5.658) 16.653 10.888 ( 10.113 3.836 4.609) 11.757 11.039 ( 14.337 8.339 3.045) 16.864 16.344 ( -2.184 6.171 2.622) 7.052 16.575 ( 6.497 0.652 -2.727) 7.077 17.139 ( -3.707 3.241 -0.345) 4.936 17.322 ( 1.584 5.715 1.367) 6.086 17.369 ( 2.989 4.469 -1.384) 5.551 17.497 ( 5.688 7.138 0.909) 9.172 18.288 ( 5.267 2.678 1.760) 6.165 18.472 ( -0.304 -3.317 -2.873) 4.398 19.179 ( -17.525 -23.019 8.184) 30.066 19.956 ( -12.645 -18.465 -12.823) 25.793 21.107 ( -18.062 -22.304 10.314) 30.497 21.646 ( -10.735 -14.188 -4.650) 18.389 ======================= Grid point 467 (68/132) ======================= q-point: ( 0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.446 ( 21.847 35.217 4.443) 41.681 6.463 ( 28.712 28.773 1.780) 40.687 6.748 ( 18.100 18.891 -4.045) 26.473 6.986 ( 14.480 31.753 -7.085) 35.610 8.361 ( 8.279 17.741 4.304) 20.045 8.510 ( 12.314 18.030 10.492) 24.224 8.805 ( 2.565 15.247 -3.798) 15.921 9.212 ( 24.036 20.835 -7.187) 32.611 10.387 ( -8.025 -8.163 4.868) 12.440 10.778 ( 1.272 -0.537 -4.450) 4.660 11.476 ( 31.367 18.284 1.916) 36.357 11.613 ( 27.248 15.779 -1.317) 31.515 16.371 ( -1.934 6.350 2.947) 7.262 16.679 ( 3.680 2.089 -5.178) 6.687 17.067 ( -5.977 1.421 4.275) 7.485 17.377 ( -0.392 1.309 -2.642) 2.974 17.424 ( -2.077 6.828 3.381) 7.897 17.707 ( 7.252 8.515 -3.189) 11.630 18.358 ( 1.075 -2.580 0.004) 2.795 18.473 ( 4.575 -1.282 -1.738) 5.059 18.724 ( -10.209 -17.161 9.624) 22.166 19.622 ( -7.441 -14.725 -17.742) 24.227 20.589 ( -16.404 -20.260 16.387) 30.791 21.324 ( -10.242 -14.052 -5.944) 18.376 ======================= Grid point 468 (69/132) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.106 ( 16.414 29.990 2.088) 34.252 7.169 ( 21.727 21.658 -0.068) 30.678 7.232 ( 17.977 18.759 -0.206) 25.983 7.501 ( 9.601 29.470 -4.620) 31.337 8.622 ( 2.324 17.821 1.965) 18.079 8.834 ( 6.580 13.062 9.123) 17.238 8.959 ( -0.993 13.950 -2.127) 14.146 9.672 ( 8.960 6.843 -15.338) 19.036 10.256 ( 2.717 -0.881 13.605) 13.902 10.820 ( 3.863 -0.015 -4.464) 5.904 12.183 ( 30.696 13.111 0.134) 33.380 12.200 ( 25.394 9.953 -0.114) 27.275 16.401 ( -2.089 6.603 3.023) 7.557 16.728 ( -1.773 3.728 -6.682) 7.854 16.984 ( -4.159 -0.162 6.950) 8.101 17.355 ( -3.856 1.800 -1.846) 4.639 17.398 ( -6.934 4.281 3.742) 8.967 17.879 ( 4.009 4.960 -8.363) 10.517 18.312 ( 0.952 -5.750 1.250) 5.961 18.510 ( 0.954 -5.339 6.217) 8.250 18.587 ( 6.855 -3.593 1.419) 7.868 19.380 ( -5.012 -13.520 -19.691) 24.406 20.180 ( -9.169 -15.161 20.576) 27.154 21.013 ( -9.344 -14.231 -6.525) 18.232 ======================= Grid point 469 (70/132) ======================= q-point: ( 0.35 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.554 ( 11.085 13.259 1.198) 17.324 7.651 ( 9.343 26.902 2.811) 28.616 7.754 ( 16.902 17.254 -2.929) 24.331 7.897 ( 4.029 25.883 -2.221) 26.289 8.801 ( -1.122 16.045 0.015) 16.084 9.007 ( -0.038 11.332 5.213) 12.473 9.052 ( -3.023 11.742 0.805) 12.151 9.655 ( -6.059 -4.597 -9.351) 12.053 10.477 ( 13.496 7.000 7.959) 17.160 10.895 ( 4.445 -0.395 -3.624) 5.748 12.660 ( 20.384 3.286 1.410) 20.695 12.770 ( 25.335 5.594 -1.240) 25.975 16.430 ( -2.443 7.026 2.802) 7.949 16.697 ( -6.239 5.106 -4.675) 9.319 16.905 ( -3.678 -3.314 7.041) 8.607 17.275 ( -7.164 4.720 3.636) 9.318 17.338 ( -4.043 2.762 -1.799) 5.217 17.927 ( -0.518 -0.764 -15.442) 15.469 18.326 ( 4.972 -2.744 2.820) 6.341 18.527 ( 4.864 -2.599 9.792) 11.238 18.672 ( 6.652 -4.699 -2.437) 8.502 19.171 ( -4.280 -11.534 -10.415) 16.119 19.997 ( 1.689 -9.037 14.816) 17.436 20.719 ( -8.203 -14.444 -6.095) 17.693 ======================= Grid point 470 (71/132) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.798 ( 4.965 7.919 3.284) 9.907 7.998 ( 0.947 24.177 1.242) 24.227 8.095 ( 0.360 18.583 -3.172) 18.855 8.164 ( 4.452 14.299 -1.434) 15.045 8.903 ( -3.833 13.135 -1.120) 13.729 9.077 ( -3.549 9.606 -1.299) 10.323 9.097 ( -4.830 11.309 5.676) 13.544 9.500 ( -5.402 -4.001 -4.328) 7.995 10.746 ( 9.764 4.974 2.916) 11.339 10.944 ( 2.015 -1.980 -1.991) 3.456 12.956 ( 13.477 -3.043 2.487) 14.038 13.150 ( 16.527 -2.592 -2.187) 16.872 16.458 ( -3.080 7.982 2.128) 8.816 16.640 ( -6.268 6.128 -2.637) 9.154 16.797 ( -3.116 -4.757 7.778) 9.635 17.237 ( -4.522 6.880 2.793) 8.694 17.304 ( -3.448 3.429 -2.285) 5.373 17.880 ( -1.112 -3.853 -20.033) 20.430 18.391 ( 4.465 -2.136 2.618) 5.599 18.595 ( 5.373 -2.820 12.901) 14.257 18.713 ( 4.533 -6.274 -4.424) 8.915 19.027 ( -1.012 -7.543 0.140) 7.612 20.030 ( 9.382 -5.232 5.519) 12.078 20.447 ( -6.574 -14.199 -4.432) 16.263 ======================= Grid point 471 (72/132) ======================= q-point: ( 0.45 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.881 ( -2.081 3.605 3.977) 5.757 8.154 ( -7.559 13.093 -1.536) 15.197 8.158 ( -13.624 23.597 0.873) 27.262 8.287 ( -2.204 3.817 -3.089) 5.382 8.935 ( -6.282 10.881 -1.371) 12.638 9.091 ( -4.361 7.554 -3.156) 9.276 9.112 ( -6.877 11.912 6.588) 15.251 9.427 ( 0.184 -0.320 -2.772) 2.796 10.886 ( -0.480 0.832 0.553) 1.108 10.923 ( 2.111 -3.656 -0.330) 4.235 13.058 ( 5.030 -8.711 2.855) 10.456 13.281 ( 5.742 -9.945 -2.512) 11.755 16.474 ( -4.839 8.381 1.442) 9.784 16.615 ( -4.196 7.268 -2.054) 8.640 16.740 ( 1.817 -3.147 8.543) 9.283 17.235 ( -4.258 7.376 2.425) 8.855 17.290 ( -2.371 4.106 -2.382) 5.306 17.846 ( 1.809 -3.133 -21.390) 21.693 18.420 ( 1.970 -3.412 2.425) 4.626 18.633 ( 2.979 -5.160 16.299) 17.354 18.716 ( 3.345 -5.793 -6.518) 9.340 18.983 ( 2.874 -4.977 2.941) 6.456 20.155 ( 4.748 -8.223 0.308) 9.501 20.251 ( 4.584 -7.941 -1.952) 9.374 ======================= Grid point 486 (73/132) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.530 ( 23.319 40.390 5.550) 46.968 5.645 ( 23.831 41.277 6.599) 48.117 6.187 ( 13.301 23.037 -9.450) 28.230 6.394 ( 19.882 34.436 -10.235) 41.059 7.819 ( 16.638 28.819 8.911) 34.449 8.143 ( 14.013 24.272 2.895) 28.176 8.289 ( 19.966 34.583 3.918) 40.125 8.711 ( 8.062 13.963 -4.496) 16.738 10.472 ( 10.647 18.442 -5.363) 21.960 10.664 ( 12.013 20.806 -9.360) 25.784 10.826 ( -2.178 -3.773 7.415) 8.600 10.964 ( 2.328 4.033 3.877) 6.059 16.444 ( 1.396 2.417 0.803) 2.904 16.470 ( 3.169 5.489 0.572) 6.364 17.214 ( 1.941 3.361 -3.714) 5.372 17.288 ( 2.218 3.842 -4.190) 6.102 17.411 ( 2.278 3.946 4.908) 6.697 17.467 ( 5.170 8.955 2.505) 10.639 18.254 ( 2.557 4.429 1.785) 5.417 18.455 ( -1.826 -3.163 -3.275) 4.905 19.216 ( -15.221 -26.364 8.014) 31.479 19.973 ( -12.109 -20.973 -12.285) 27.156 21.151 ( -14.605 -25.296 9.703) 30.779 21.667 ( -9.168 -15.879 -4.481) 18.875 ======================= Grid point 487 (74/132) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.316 ( 24.132 34.165 2.394) 41.897 6.438 ( 21.767 37.570 3.877) 43.593 6.666 ( 15.389 22.698 -3.075) 27.595 7.057 ( 16.799 34.187 -8.205) 38.965 8.337 ( 14.096 20.629 7.535) 26.097 8.540 ( 9.649 20.992 6.122) 23.901 8.916 ( 7.724 23.573 -4.100) 25.143 9.046 ( 18.172 19.380 -4.449) 26.937 10.433 ( -7.363 -9.913 2.809) 12.663 10.765 ( -0.427 -0.911 -4.720) 4.826 11.204 ( 22.076 22.504 3.040) 31.670 11.376 ( 19.650 20.342 -1.219) 28.310 16.469 ( -1.693 5.587 1.927) 6.148 16.614 ( 6.311 3.867 -1.178) 7.495 17.202 ( -5.520 3.044 -0.587) 6.331 17.349 ( 3.265 -0.609 -3.323) 4.699 17.513 ( 1.345 8.087 4.244) 9.232 17.677 ( 6.774 9.636 -0.374) 11.785 18.328 ( 1.299 1.300 -0.154) 1.844 18.397 ( 0.519 -4.206 -2.117) 4.738 18.726 ( -12.416 -21.516 9.163) 26.477 19.602 ( -8.980 -16.922 -16.719) 25.427 20.644 ( -15.255 -23.647 15.040) 31.908 21.346 ( -9.695 -15.801 -5.761) 19.413 ======================= Grid point 488 (75/132) ======================= q-point: ( 0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.025 ( 21.898 27.261 0.037) 34.967 7.083 ( 15.932 22.696 -1.980) 27.800 7.199 ( 16.841 31.376 5.251) 35.995 7.641 ( 11.773 33.010 -6.129) 35.579 8.706 ( 7.852 15.830 4.317) 18.190 8.900 ( 6.621 21.822 6.425) 23.692 9.151 ( -1.295 19.279 -3.245) 19.593 9.551 ( 15.951 12.610 -11.003) 23.119 10.232 ( -3.659 -6.500 10.730) 13.068 10.766 ( 1.844 -0.492 -4.737) 5.107 11.827 ( 25.947 16.479 1.015) 30.754 11.898 ( 21.146 12.519 -0.662) 24.583 16.499 ( -1.492 5.732 2.958) 6.621 16.749 ( 3.688 5.254 -2.854) 7.025 17.115 ( -7.829 3.230 2.065) 8.718 17.384 ( 1.137 -0.117 -3.820) 3.988 17.568 ( -4.817 6.643 4.419) 9.320 17.864 ( 4.623 6.692 -3.509) 8.859 18.248 ( -2.661 -9.150 0.626) 9.549 18.439 ( 4.467 -5.024 2.166) 7.063 18.445 ( -0.342 -6.267 4.705) 7.844 19.319 ( -5.419 -15.371 -20.524) 26.208 20.187 ( -11.585 -19.405 20.343) 30.407 21.021 ( -9.356 -16.134 -6.528) 19.759 ======================= Grid point 489 (76/132) ======================= q-point: ( 0.30 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.496 ( 11.694 15.303 0.828) 19.277 7.613 ( 17.772 20.158 -2.057) 26.952 7.778 ( 12.483 30.920 4.298) 33.620 8.114 ( 5.905 31.025 -4.066) 31.842 8.936 ( 2.598 12.797 1.726) 13.171 9.179 ( 0.063 21.559 3.472) 21.836 9.277 ( -5.226 18.113 -1.352) 18.900 9.707 ( -3.379 -1.644 -8.885) 9.647 10.311 ( 12.717 5.582 10.219) 17.243 10.816 ( 4.019 -0.335 -4.406) 5.974 12.338 ( 19.981 4.053 0.752) 20.402 12.389 ( 24.719 7.094 -0.483) 25.721 16.529 ( -1.360 5.356 3.859) 6.740 16.830 ( -1.525 6.537 -3.366) 7.509 17.001 ( -8.476 1.981 3.411) 9.349 17.386 ( -1.533 1.130 -4.426) 4.818 17.487 ( -8.718 4.399 4.804) 10.882 17.932 ( -0.509 -0.635 -9.289) 9.325 18.203 ( 5.071 -3.674 2.891) 6.897 18.416 ( 3.925 -3.897 9.287) 10.809 18.506 ( 6.055 -4.973 -3.698) 8.664 19.103 ( -2.876 -13.683 -15.939) 21.202 19.893 ( -2.966 -13.305 18.973) 23.362 20.705 ( -8.387 -16.583 -6.485) 19.682 ======================= Grid point 490 (77/132) ======================= q-point: ( 0.35 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.789 ( 6.883 10.994 2.688) 13.246 8.034 ( 11.575 13.003 -3.603) 17.778 8.222 ( 5.715 25.895 3.524) 26.752 8.455 ( -1.173 28.892 -2.266) 29.005 9.061 ( -1.159 10.524 0.402) 10.595 9.285 ( -6.970 12.780 -4.890) 15.356 9.383 ( -6.728 23.356 3.880) 24.614 9.574 ( -7.376 -1.373 -0.666) 7.532 10.610 ( 12.308 6.040 3.683) 14.196 10.882 ( 3.623 -0.452 -2.971) 4.707 12.657 ( 16.478 -3.733 1.874) 16.999 12.800 ( 19.908 -2.697 -1.597) 20.153 16.562 ( -0.596 4.973 4.371) 6.647 16.828 ( -6.133 7.438 -1.594) 9.771 16.862 ( -8.598 0.169 3.256) 9.195 17.365 ( -2.585 3.214 -3.662) 5.516 17.418 ( -5.331 5.795 2.176) 8.169 17.869 ( -2.517 -4.711 -13.895) 14.887 18.281 ( 5.565 -1.690 2.285) 6.249 18.468 ( 5.623 -3.472 11.764) 13.493 18.548 ( 5.900 -7.158 -4.614) 10.360 18.954 ( -0.620 -9.969 -4.636) 11.012 19.819 ( 6.388 -8.644 10.005) 14.684 20.406 ( -6.858 -16.656 -5.412) 18.808 ======================= Grid point 491 (78/132) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.945 ( 0.686 6.861 3.517) 7.740 8.260 ( 3.391 5.904 -4.685) 8.265 8.472 ( -3.145 18.795 3.344) 19.348 8.639 ( -9.991 26.834 -1.158) 28.657 9.116 ( -3.875 9.441 -0.119) 10.206 9.265 ( -6.100 8.158 -4.971) 11.335 9.460 ( -7.854 14.524 2.187) 16.655 9.474 ( -8.846 12.625 1.915) 15.534 10.813 ( 6.690 0.559 1.118) 6.806 10.916 ( -0.114 0.660 -1.366) 1.521 12.824 ( 10.776 -10.089 2.428) 14.960 13.014 ( 12.554 -10.944 -2.136) 16.791 16.617 ( 0.996 5.915 3.960) 7.187 16.721 ( -6.779 -0.875 4.305) 8.078 16.796 ( -6.408 8.963 -0.974) 11.061 17.366 ( -1.686 3.510 -4.822) 6.199 17.398 ( -5.036 7.880 1.833) 9.530 17.792 ( -0.346 -4.155 -15.818) 16.358 18.338 ( 3.511 -2.960 2.000) 5.008 18.519 ( 4.384 -4.478 14.032) 15.368 18.569 ( 5.349 -8.148 -4.500) 10.736 18.880 ( 1.917 -7.140 0.945) 7.453 19.913 ( 11.986 -6.434 2.201) 13.780 20.147 ( -3.948 -15.362 -3.105) 16.162 ======================= Grid point 507 (79/132) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.970 ( 17.920 31.039 0.356) 35.842 7.056 ( 13.259 22.966 -2.443) 26.631 7.214 ( 19.070 33.030 5.975) 38.605 7.710 ( 17.751 30.746 -7.047) 36.195 8.709 ( 9.489 16.435 6.574) 20.084 8.964 ( 12.230 21.184 4.243) 24.826 9.334 ( 9.918 17.179 -2.819) 20.036 9.405 ( 9.938 17.213 -9.727) 22.128 10.235 ( -5.052 -8.750 9.216) 13.676 10.749 ( -0.146 -0.252 -4.909) 4.918 11.675 ( 13.676 23.687 1.453) 27.390 11.769 ( 10.731 18.587 -0.827) 21.478 16.545 ( 1.374 2.381 2.858) 3.965 16.738 ( 4.513 7.816 -1.367) 9.128 17.242 ( -0.030 -0.053 -1.071) 1.073 17.338 ( 0.174 0.302 -2.558) 2.581 17.654 ( 3.044 5.272 3.853) 7.205 17.853 ( 4.225 7.317 -1.354) 8.557 18.228 ( -7.050 -12.211 1.477) 14.177 18.365 ( 0.530 0.917 -1.644) 1.956 18.414 ( -4.157 -7.200 6.996) 10.865 19.286 ( -8.492 -14.709 -20.648) 26.735 20.191 ( -12.108 -20.971 20.004) 31.409 21.021 ( -9.620 -16.662 -6.512) 20.312 ======================= Grid point 508 (80/132) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.462 ( 11.064 17.394 0.496) 20.621 7.537 ( 15.846 23.442 -1.241) 28.322 7.843 ( 15.690 30.535 4.747) 34.657 8.264 ( 11.865 28.674 -5.760) 31.562 8.986 ( 5.856 12.430 4.390) 14.425 9.355 ( 6.501 21.618 1.145) 22.604 9.550 ( -3.287 18.321 -5.667) 19.457 9.719 ( 6.929 7.957 -6.582) 12.435 10.168 ( 6.129 0.648 13.211) 14.578 10.761 ( 1.813 0.008 -5.207) 5.513 12.104 ( 12.523 8.115 0.434) 14.929 12.118 ( 16.139 12.292 0.089) 20.287 16.577 ( -0.071 2.055 4.721) 5.150 16.891 ( 2.994 8.455 -1.747) 9.138 17.186 ( -7.727 3.468 -1.047) 8.534 17.366 ( 3.021 -1.848 -4.112) 5.427 17.675 ( -6.915 3.866 4.018) 8.884 17.901 ( 0.747 -5.820 -1.701) 6.110 18.106 ( 2.991 -0.084 2.747) 4.061 18.343 ( -0.100 -2.349 4.746) 5.296 18.385 ( 2.832 -3.379 -2.670) 5.155 19.026 ( -4.901 -13.471 -19.097) 23.878 19.839 ( -7.133 -15.065 20.794) 26.650 20.687 ( -9.329 -17.216 -6.646) 20.678 ======================= Grid point 509 (81/132) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.781 ( 7.992 13.251 2.202) 15.631 7.972 ( 11.677 15.527 -2.460) 19.583 8.344 ( 9.846 25.274 3.846) 27.395 8.686 ( 5.925 24.956 -4.460) 26.034 9.162 ( 1.677 10.402 2.172) 10.758 9.473 ( -4.535 1.461 -6.981) 8.452 9.732 ( -3.206 26.996 2.084) 27.266 9.796 ( -8.289 17.749 2.864) 19.797 10.437 ( 15.306 6.462 4.643) 17.250 10.813 ( 4.069 0.376 -4.277) 5.915 12.355 ( 13.224 -2.403 1.478) 13.522 12.459 ( 16.050 -0.253 -1.058) 16.087 16.587 ( -0.028 0.378 6.157) 6.169 16.978 ( -3.225 7.184 1.085) 7.949 17.068 ( -9.520 4.911 -3.494) 11.268 17.386 ( 1.091 -1.287 -7.011) 7.211 17.578 ( -6.460 4.876 4.051) 9.051 17.850 ( -0.243 -5.949 -4.148) 7.256 18.190 ( 4.060 1.312 1.187) 4.429 18.344 ( 3.347 -3.759 5.174) 7.218 18.400 ( 3.842 -4.894 -1.555) 6.413 18.859 ( -0.781 -10.458 -9.783) 14.342 19.659 ( 0.828 -10.015 14.326) 17.499 20.363 ( -8.080 -17.442 -5.965) 20.127 ======================= Grid point 510 (82/132) ======================= q-point: ( 0.35 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.992 ( 3.196 9.360 2.848) 10.292 8.242 ( 6.033 7.790 -3.318) 10.397 8.673 ( 2.201 19.185 3.418) 19.612 8.959 ( -0.201 19.328 -3.683) 19.676 9.260 ( -1.533 9.373 0.837) 9.535 9.383 ( -4.015 -1.405 -2.610) 4.991 9.775 ( -14.114 22.239 3.590) 26.583 9.931 ( -9.696 29.426 -0.780) 30.992 10.701 ( 8.233 2.821 2.186) 8.973 10.908 ( 3.957 3.861 -2.736) 6.169 12.510 ( 12.368 -11.026 2.010) 16.690 12.662 ( 14.054 -11.155 -1.677) 18.021 16.595 ( 1.555 -0.990 6.302) 6.566 16.890 ( -8.681 1.985 1.199) 8.985 17.013 ( -7.230 9.817 -1.954) 12.348 17.391 ( 0.499 -0.023 -9.487) 9.500 17.560 ( -3.993 8.010 2.481) 9.288 17.783 ( -1.893 -2.500 -5.700) 6.505 18.256 ( 3.290 -1.083 0.981) 3.600 18.369 ( 5.797 -7.639 1.543) 9.713 18.422 ( 3.577 -3.999 5.425) 7.630 18.775 ( 1.389 -7.961 -2.134) 8.358 19.660 ( 8.607 -7.093 5.640) 12.498 20.070 ( -5.816 -16.634 -4.284) 18.135 ======================= Grid point 511 (83/132) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.068 ( -3.149 5.453 2.952) 6.955 8.333 ( -1.011 1.751 -3.667) 4.187 8.790 ( -7.527 13.036 3.329) 15.417 9.054 ( -7.527 13.038 -3.480) 15.451 9.296 ( -4.611 7.986 0.358) 9.229 9.338 ( -0.647 1.120 -0.783) 1.512 9.759 ( -14.148 24.505 3.571) 28.520 9.994 ( -16.083 27.857 -2.450) 32.259 10.779 ( 1.304 -2.258 2.363) 3.519 10.974 ( -2.285 3.958 -2.390) 5.157 12.562 ( 9.198 -15.932 2.150) 18.522 12.726 ( 10.012 -17.341 -1.840) 20.108 16.611 ( 1.497 -2.593 6.054) 6.754 16.810 ( -2.978 5.158 0.703) 5.997 16.997 ( -6.248 10.822 -0.785) 12.520 17.397 ( -0.206 0.357 -10.185) 10.194 17.570 ( -4.983 8.630 1.651) 10.101 17.752 ( -0.311 0.538 -5.672) 5.706 18.279 ( 1.708 -2.958 0.909) 3.534 18.383 ( 5.925 -10.263 -1.676) 11.968 18.434 ( 2.148 -3.721 10.589) 11.427 18.747 ( 3.571 -6.186 -0.247) 7.147 19.757 ( 5.932 -10.274 0.744) 11.887 19.880 ( 5.478 -9.489 -2.086) 11.154 ======================= Grid point 529 (84/132) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.778 ( 8.185 14.177 2.025) 16.495 7.947 ( 10.031 17.373 -2.052) 20.166 8.385 ( 13.619 23.589 3.801) 27.502 8.757 ( 11.770 20.386 -5.385) 24.147 9.202 ( 5.262 9.115 2.765) 10.882 9.512 ( -2.138 -3.703 -5.753) 7.168 9.911 ( 12.661 21.930 2.138) 25.412 10.078 ( 11.385 19.719 -1.720) 22.835 10.243 ( 4.577 7.928 8.965) 12.813 10.773 ( 0.862 1.493 -5.306) 5.579 12.217 ( 1.890 3.273 1.410) 4.034 12.307 ( 3.744 6.485 -0.835) 7.535 16.587 ( -0.412 -0.714 6.504) 6.556 17.049 ( 3.371 5.839 0.536) 6.763 17.218 ( -0.861 -1.492 -6.831) 7.045 17.332 ( 0.000 0.000 -4.668) 4.668 17.712 ( -0.859 -1.487 3.000) 3.456 17.764 ( -1.853 -3.210 2.005) 4.214 18.164 ( 1.889 3.273 0.796) 3.862 18.311 ( -1.971 -3.414 -2.576) 4.709 18.327 ( 0.066 0.114 3.625) 3.627 18.806 ( -4.814 -8.338 -12.341) 15.652 19.601 ( -4.967 -8.603 16.104) 18.922 20.344 ( -9.781 -16.941 -6.139) 20.503 ======================= Grid point 530 (85/132) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.019 ( 5.266 10.530 2.383) 12.012 8.220 ( 6.071 9.193 -2.444) 11.285 8.776 ( 7.453 18.093 2.819) 19.770 9.072 ( 5.071 13.679 -5.055) 15.439 9.342 ( 1.659 7.027 1.177) 7.316 9.416 ( -2.979 -3.534 0.024) 4.622 10.246 ( -9.569 24.049 2.092) 25.968 10.313 ( 1.358 28.540 0.653) 28.580 10.563 ( 14.657 6.405 2.095) 16.132 10.853 ( 6.437 4.783 -4.178) 9.043 12.241 ( 4.640 -8.992 1.927) 10.301 12.376 ( 5.441 -8.027 -1.392) 9.796 16.568 ( 0.013 -1.424 6.167) 6.329 17.014 ( -6.655 -4.792 -0.192) 8.204 17.212 ( -3.769 8.674 -5.151) 10.769 17.363 ( 2.649 0.241 -7.321) 7.789 17.681 ( -2.015 5.270 2.901) 6.344 17.769 ( 1.932 -1.075 1.173) 2.503 18.208 ( 1.464 -0.437 0.435) 1.589 18.240 ( -0.122 -6.638 -0.329) 6.648 18.354 ( 2.048 0.537 3.643) 4.213 18.688 ( -0.586 -6.749 -5.196) 8.538 19.502 ( 1.736 -5.545 8.735) 10.491 20.023 ( -7.935 -16.242 -4.879) 18.724 ======================= Grid point 531 (86/132) ======================= q-point: ( 0.35 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.158 ( 0.205 7.183 2.094) 7.485 8.343 ( 1.814 2.506 -2.438) 3.938 8.994 ( -0.813 13.366 2.099) 13.554 9.204 ( -0.717 6.245 -4.358) 7.649 9.362 ( -1.450 0.259 2.716) 3.089 9.405 ( -0.639 4.287 0.307) 4.345 10.284 ( -13.543 25.101 2.040) 28.594 10.512 ( -9.598 25.142 -4.551) 27.294 10.762 ( 1.886 7.038 4.935) 8.800 11.048 ( 2.450 10.603 -3.175) 11.337 12.219 ( 9.178 -17.939 1.998) 20.249 12.362 ( 9.436 -18.662 -1.488) 20.965 16.571 ( 1.182 -0.513 4.569) 4.747 16.857 ( -3.125 -5.595 -1.068) 6.497 17.214 ( -6.207 9.991 -1.301) 11.833 17.410 ( 0.488 2.314 -8.860) 9.170 17.720 ( -2.318 7.591 1.507) 8.079 17.787 ( -0.840 2.501 1.017) 2.827 18.185 ( 3.900 -10.031 0.753) 10.789 18.214 ( 1.964 -3.523 0.022) 4.034 18.391 ( 0.976 0.769 5.156) 5.304 18.638 ( 1.852 -5.817 -1.530) 6.294 19.543 ( 7.854 -4.546 2.416) 9.391 19.765 ( -3.875 -13.359 -2.756) 14.180 ======================= Grid point 550 (87/132) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.195 ( 3.995 6.919 1.612) 8.151 8.336 ( 1.556 2.696 -1.804) 3.598 9.072 ( 6.688 11.584 1.457) 13.455 9.239 ( 1.979 3.427 -3.926) 5.574 9.382 ( 0.175 0.303 2.830) 2.852 9.422 ( 0.575 0.997 0.400) 1.218 10.571 ( 4.365 7.560 1.304) 8.826 10.663 ( 2.801 4.852 -0.891) 5.673 10.874 ( 13.907 24.087 1.781) 27.870 11.086 ( 10.643 18.435 -3.411) 21.558 12.009 ( -7.763 -13.446 2.209) 15.683 12.151 ( -7.934 -13.742 -1.353) 15.925 16.559 ( 0.579 1.003 3.900) 4.068 16.847 ( -5.513 -9.549 -2.014) 11.209 17.368 ( 2.991 5.181 -4.643) 7.573 17.387 ( 1.357 2.350 -3.602) 4.510 17.779 ( 2.693 4.664 2.234) 5.831 17.808 ( 2.185 3.784 1.883) 4.758 18.096 ( -4.105 -7.110 2.052) 8.462 18.170 ( -1.612 -2.792 -0.626) 3.285 18.395 ( 1.443 2.499 2.417) 3.764 18.587 ( -2.007 -3.476 -2.261) 4.607 19.446 ( 0.031 0.054 3.711) 3.712 19.732 ( -7.226 -12.516 -3.161) 14.794 ======================= Grid point 551 (88/132) ======================= q-point: ( 0.35 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.275 ( -2.483 4.302 0.806) 5.032 8.351 ( 0.747 -1.293 -1.061) 1.832 9.206 ( -4.144 7.178 0.604) 8.310 9.261 ( -0.460 0.797 -0.996) 1.356 9.386 ( -0.781 1.352 1.331) 2.052 9.422 ( 1.106 -1.916 0.236) 2.225 10.637 ( -4.969 8.606 0.680) 9.961 10.704 ( -0.987 1.710 -0.924) 2.180 11.178 ( -14.319 24.801 1.332) 28.668 11.355 ( -10.571 18.310 -3.316) 21.401 11.818 ( 11.709 -20.280 2.544) 23.555 11.947 ( 12.071 -20.908 -0.967) 24.162 16.592 ( -1.470 2.546 1.937) 3.521 16.721 ( 3.599 -6.234 -0.904) 7.255 17.388 ( -3.794 6.571 -2.273) 7.920 17.448 ( -0.240 0.416 -4.998) 5.021 17.844 ( -2.523 4.370 1.711) 5.328 17.857 ( -1.933 3.348 3.116) 4.965 18.004 ( 3.922 -6.793 2.294) 8.173 18.132 ( 2.079 -3.601 -1.624) 4.464 18.424 ( -0.857 1.484 2.265) 2.840 18.551 ( 1.448 -2.508 -1.017) 3.070 19.484 ( 0.742 -1.285 0.628) 1.611 19.566 ( 3.309 -5.732 -1.298) 6.745 ======================= Grid point 842 (89/132) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 -0.000 47.694) 47.694 1.944 ( -0.000 0.000 47.694) 47.694 2.785 ( 0.000 -0.000 -39.789) 39.789 2.785 ( -0.000 -0.000 -39.789) 39.789 3.339 ( 0.000 -0.000 80.849) 80.849 4.746 ( 0.000 0.000 -65.621) 65.621 7.325 ( -0.000 0.000 17.099) 17.099 7.325 ( 0.000 0.000 17.099) 17.099 7.629 ( 0.000 -0.000 -14.073) 14.073 7.629 ( -0.000 -0.000 -14.073) 14.073 13.319 ( 0.000 0.000 25.752) 25.752 13.786 ( 0.000 -0.000 -21.993) 21.993 16.215 ( -0.000 0.000 2.883) 2.883 16.215 ( 0.000 0.000 2.883) 2.883 16.274 ( 0.000 0.000 -3.091) 3.091 16.274 ( 0.000 0.000 -3.091) 3.091 17.421 ( -0.000 0.000 2.547) 2.547 17.421 ( -0.000 0.000 2.547) 2.547 17.469 ( -0.000 0.000 -2.327) 2.327 17.469 ( -0.000 0.000 -2.327) 2.327 23.107 ( 0.000 -0.000 4.032) 4.032 23.191 ( 0.000 -0.000 -4.603) 4.603 23.501 ( 0.000 0.000 1.612) 1.612 23.525 ( 0.000 -0.000 -0.960) 0.960 ======================= Grid point 843 (90/132) ======================= q-point: ( 0.05 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 23.592 13.621 41.241) 49.426 2.448 ( 34.813 20.099 40.556) 57.102 2.993 ( 17.315 9.997 -36.832) 41.909 3.187 ( 30.927 17.856 -36.162) 50.824 3.588 ( 23.901 13.799 68.592) 73.935 4.815 ( 7.317 4.224 -57.513) 58.130 7.367 ( 3.544 2.046 16.816) 17.307 7.594 ( 21.574 12.456 16.469) 29.863 7.666 ( 3.115 1.798 -13.841) 14.300 7.916 ( 21.061 12.159 -16.679) 29.489 12.873 ( -31.880 -18.406 13.065) 39.061 12.991 ( -46.774 -27.005 3.616) 54.130 16.220 ( 0.452 0.261 3.270) 3.311 16.287 ( 1.102 0.636 -3.511) 3.734 16.315 ( 6.371 3.678 3.696) 8.233 16.381 ( 7.574 4.373 -3.145) 9.294 17.415 ( -0.562 -0.324 2.615) 2.694 17.464 ( -0.458 -0.264 -2.359) 2.417 17.604 ( 13.063 7.542 8.611) 17.369 17.830 ( 20.489 11.829 -15.970) 28.544 22.678 ( -50.963 -29.423 23.633) 63.415 22.971 ( -36.536 -21.094 -9.064) 43.151 23.019 ( -7.913 -4.569 3.407) 9.752 23.091 ( -10.937 -6.314 -3.892) 13.215 ======================= Grid point 844 (91/132) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 34.592 19.972 30.915) 50.509 3.207 ( 30.197 17.434 41.017) 53.834 3.529 ( 28.025 16.180 -30.660) 44.579 3.955 ( 30.946 17.867 -36.756) 51.262 4.500 ( 52.418 30.263 36.871) 70.873 5.196 ( 28.239 16.304 -32.689) 46.172 7.484 ( 6.485 3.744 16.018) 17.682 7.768 ( 5.702 3.292 -13.190) 14.742 8.220 ( 31.134 17.975 11.508) 37.747 8.467 ( 25.895 14.950 -13.318) 32.733 12.112 ( -29.360 -16.951 5.954) 34.421 12.134 ( -29.248 -16.887 3.202) 33.925 16.236 ( 0.921 0.532 4.212) 4.344 16.323 ( 1.932 1.115 -4.581) 5.095 16.491 ( 8.970 5.179 4.591) 11.329 16.577 ( 9.230 5.329 -4.160) 11.441 17.394 ( -1.242 -0.717 2.963) 3.292 17.449 ( -0.840 -0.485 -2.572) 2.749 17.900 ( 11.365 6.561 12.782) 18.319 18.185 ( 10.372 5.989 -16.739) 20.583 21.655 ( -37.802 -21.825 23.393) 49.523 22.035 ( -40.256 -23.242 -16.132) 49.203 22.772 ( -13.264 -7.658 1.197) 15.363 22.793 ( -15.572 -8.990 -0.942) 18.005 ======================= Grid point 845 (92/132) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( 37.622 21.721 23.041) 49.175 3.918 ( 32.714 18.888 32.476) 49.816 4.234 ( 32.407 18.710 -24.527) 44.742 4.569 ( 24.643 14.228 -34.810) 44.960 5.802 ( 57.674 33.298 17.193) 68.780 6.077 ( 44.651 25.779 -9.393) 52.407 7.657 ( 8.444 4.875 14.823) 17.742 7.921 ( 7.416 4.281 -12.229) 14.929 8.979 ( 34.230 19.763 3.801) 39.708 9.096 ( 28.730 16.587 -7.549) 34.023 11.564 ( -19.868 -11.471 2.428) 23.069 11.578 ( -18.990 -10.964 1.062) 21.953 16.262 ( 1.269 0.733 5.340) 5.537 16.373 ( 2.361 1.363 -5.997) 6.587 16.721 ( 10.742 6.202 4.099) 13.064 16.802 ( 10.292 5.942 -4.196) 12.604 17.357 ( -1.977 -1.141 3.825) 4.455 17.425 ( -1.201 -0.693 -3.138) 3.430 18.115 ( 7.543 4.355 11.413) 14.357 18.347 ( 4.532 2.616 -12.372) 13.433 20.873 ( -31.307 -18.075 16.250) 39.634 21.174 ( -34.427 -19.876 -14.655) 42.368 22.393 ( -18.777 -10.841 2.198) 21.793 22.429 ( -16.160 -9.330 -1.481) 18.718 ======================= Grid point 846 (93/132) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( 36.955 21.336 17.361) 46.068 4.716 ( 36.220 20.912 21.296) 46.933 4.990 ( 32.815 18.946 -19.285) 42.517 5.164 ( 27.533 15.896 -24.825) 40.336 7.057 ( 48.762 28.153 6.868) 56.723 7.119 ( 45.446 26.238 0.887) 52.484 7.864 ( 9.344 5.395 13.358) 17.171 8.102 ( 8.163 4.713 -11.070) 14.539 9.768 ( 32.932 19.013 -1.720) 38.065 9.792 ( 32.216 18.600 -3.898) 37.403 11.192 ( -12.558 -7.250 2.748) 14.758 11.223 ( -11.875 -6.856 -0.147) 13.713 16.293 ( 1.368 0.790 6.323) 6.518 16.427 ( 2.263 1.307 -7.471) 7.915 16.971 ( 10.600 6.120 3.819) 12.821 17.047 ( 10.892 6.288 -3.963) 13.186 17.305 ( -2.543 -1.468 5.134) 5.914 17.393 ( -1.631 -0.942 -3.948) 4.375 18.261 ( 5.429 3.134 7.999) 10.163 18.419 ( 2.082 1.202 -8.142) 8.489 20.191 ( -27.968 -16.147 13.074) 34.841 20.451 ( -28.347 -16.366 -13.585) 35.440 21.943 ( -20.042 -11.571 5.804) 23.859 22.044 ( -16.998 -9.814 -4.537) 20.145 ======================= Grid point 847 (94/132) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.453 ( 34.200 19.745 12.993) 41.573 5.557 ( 36.286 20.950 12.253) 43.655 5.725 ( 30.785 17.774 -14.825) 38.515 5.825 ( 29.356 16.949 -15.227) 37.160 7.982 ( 33.895 19.569 10.952) 40.642 8.080 ( 9.313 5.377 11.728) 15.912 8.140 ( 39.726 22.936 -5.276) 46.174 8.290 ( 8.053 4.649 -9.800) 13.509 10.427 ( 20.163 11.641 -0.091) 23.282 10.489 ( 22.387 12.925 -6.209) 26.585 11.038 ( 4.318 2.493 4.915) 7.001 11.101 ( 5.769 3.331 -1.264) 6.780 16.322 ( 1.159 0.669 6.868) 6.998 16.472 ( 1.540 0.889 -8.602) 8.784 17.194 ( 8.488 4.901 5.035) 11.019 17.243 ( -2.701 -1.559 6.432) 7.148 17.294 ( 10.247 5.916 -5.150) 12.904 17.350 ( -2.072 -1.197 -4.658) 5.237 18.373 ( 4.311 2.489 4.127) 6.466 18.455 ( 1.270 0.733 -4.276) 4.521 19.596 ( -23.357 -13.485 13.432) 30.130 19.874 ( -21.711 -12.535 -15.205) 29.320 21.483 ( -19.699 -11.373 10.151) 24.909 21.657 ( -16.412 -9.476 -7.851) 20.513 ======================= Grid point 848 (95/132) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.193 ( 29.847 17.232 9.476) 35.743 6.360 ( 32.919 19.006 5.468) 38.403 6.393 ( 27.024 15.602 -11.015) 33.092 6.488 ( 27.705 15.996 -7.707) 32.907 8.287 ( 8.542 4.932 10.035) 14.071 8.468 ( 7.283 4.205 -8.490) 11.950 8.625 ( 21.758 12.562 15.089) 29.307 8.899 ( 25.848 14.923 -12.885) 32.509 10.543 ( -2.242 -1.295 6.895) 7.365 10.684 ( 1.416 0.818 -7.366) 7.545 11.543 ( 31.598 18.243 2.877) 36.600 11.596 ( 30.003 17.322 -2.511) 34.735 16.344 ( 0.677 0.391 6.752) 6.797 16.494 ( 0.265 0.153 -8.798) 8.804 17.185 ( -2.287 -1.320 6.993) 7.475 17.299 ( -2.338 -1.350 -4.911) 5.604 17.344 ( 4.139 2.390 7.637) 9.010 17.500 ( 7.204 4.159 -8.213) 11.690 18.447 ( 1.753 1.012 2.259) 3.033 18.495 ( 2.687 1.551 -2.532) 4.005 19.144 ( -15.197 -8.774 14.862) 22.996 19.457 ( -14.496 -8.369 -17.676) 24.344 21.052 ( -17.432 -10.064 14.591) 24.861 21.296 ( -14.885 -8.594 -10.772) 20.284 ======================= Grid point 849 (96/132) ======================= q-point: ( 0.35 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.816 ( 24.003 13.858 6.686) 28.512 6.958 ( 21.818 12.597 -7.893) 26.401 7.048 ( 25.985 15.002 1.048) 30.023 7.083 ( 24.304 14.032 -2.666) 28.191 8.469 ( 7.172 4.141 8.425) 11.814 8.622 ( 6.034 3.483 -7.233) 10.042 8.984 ( 9.791 5.653 16.195) 19.750 9.312 ( 9.954 5.747 -17.744) 21.142 10.540 ( 3.261 1.883 11.794) 12.381 10.735 ( 3.713 2.144 -8.564) 9.578 12.270 ( 29.795 17.202 0.266) 34.405 12.277 ( 27.849 16.079 -0.393) 32.160 16.353 ( 0.088 0.051 5.928) 5.929 16.484 ( -1.069 -0.617 -7.660) 7.758 17.141 ( -1.454 -0.840 6.286) 6.507 17.245 ( -2.240 -1.293 -4.528) 5.215 17.367 ( -2.232 -1.289 11.431) 11.717 17.606 ( 1.777 1.026 -13.099) 13.258 18.472 ( 0.924 0.534 4.493) 4.618 18.559 ( 2.534 1.463 -4.184) 5.106 18.925 ( -3.868 -2.233 13.241) 13.975 19.208 ( -7.194 -4.154 -16.572) 18.537 20.696 ( -13.239 -7.644 17.004) 22.866 20.976 ( -12.849 -7.418 -12.249) 19.240 ======================= Grid point 850 (97/132) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.287 ( 16.791 9.694 4.680) 19.945 7.388 ( 15.354 8.865 -5.617) 18.598 7.529 ( 16.820 9.711 3.414) 19.719 7.607 ( 19.720 11.385 -4.528) 23.216 8.613 ( 5.262 3.038 7.091) 9.338 8.742 ( 4.398 2.539 -6.167) 7.988 9.108 ( 1.908 1.102 14.035) 14.207 9.395 ( -1.127 -0.651 -15.585) 15.639 10.683 ( 7.935 4.581 9.703) 13.345 10.844 ( 5.115 2.953 -7.074) 9.215 12.833 ( 20.277 11.707 2.356) 23.532 12.879 ( 22.266 12.855 -2.297) 25.813 16.349 ( -0.329 -0.190 4.662) 4.677 16.450 ( -1.679 -0.969 -5.718) 6.038 17.117 ( -0.679 -0.392 4.740) 4.804 17.199 ( -1.728 -0.997 -3.666) 4.174 17.264 ( -5.784 -3.340 15.058) 16.473 17.587 ( -2.845 -1.643 -18.260) 18.554 18.504 ( 1.927 1.112 5.683) 6.103 18.617 ( 2.513 1.451 -5.294) 6.037 18.919 ( 2.005 1.157 9.722) 9.994 19.113 ( -1.548 -0.894 -10.517) 10.667 20.452 ( -7.817 -4.513 15.008) 17.513 20.707 ( -10.517 -6.072 -11.375) 16.639 ======================= Grid point 851 (98/132) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.581 ( 8.601 4.966 3.525) 10.538 7.657 ( 7.932 4.579 -4.306) 10.120 7.828 ( 8.988 5.189 6.539) 12.267 7.964 ( 10.951 6.323 -7.314) 14.608 8.707 ( 2.825 1.631 6.224) 7.027 8.821 ( 2.367 1.366 -5.452) 6.099 9.112 ( -0.720 -0.416 10.924) 10.955 9.330 ( -3.265 -1.885 -11.401) 12.008 10.851 ( 5.877 3.393 5.247) 8.578 10.942 ( 2.955 1.706 -4.143) 5.367 13.192 ( 10.667 6.159 4.277) 13.039 13.274 ( 11.769 6.795 -4.065) 14.185 16.341 ( -0.341 -0.197 3.515) 3.537 16.415 ( -1.207 -0.697 -4.085) 4.317 17.108 ( -0.228 -0.132 3.384) 3.394 17.142 ( -4.187 -2.417 16.882) 17.560 17.168 ( -0.925 -0.534 -2.803) 3.000 17.511 ( -3.076 -1.776 -21.299) 21.593 18.550 ( 1.741 1.005 5.395) 5.758 18.668 ( 1.713 0.989 -6.549) 6.841 18.974 ( 2.269 1.310 9.269) 9.632 19.107 ( 0.384 0.222 -4.379) 4.401 20.339 ( -1.979 -1.142 8.353) 8.660 20.497 ( -7.581 -4.377 -7.638) 11.618 ======================= Grid point 852 (99/132) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 283 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.680 ( -0.000 -0.000 3.165) 3.165 7.749 ( 0.000 0.000 -3.897) 3.897 7.933 ( -0.000 -0.000 7.829) 7.829 8.093 ( 0.000 0.000 -8.516) 8.516 8.740 ( 0.000 0.000 5.929) 5.929 8.849 ( 0.000 0.000 -5.203) 5.203 9.101 ( 0.000 0.000 9.449) 9.449 9.286 ( 0.000 0.000 -9.570) 9.570 10.925 ( 0.000 0.000 2.764) 2.764 10.973 ( -0.000 -0.000 -2.145) 2.145 13.316 ( 0.000 0.000 4.954) 4.954 13.411 ( 0.000 0.000 -4.696) 4.696 16.336 ( 0.000 0.000 3.056) 3.056 16.400 ( 0.000 0.000 -3.477) 3.477 17.091 ( 0.000 0.000 17.320) 17.320 17.105 ( 0.000 0.000 2.875) 2.875 17.157 ( 0.000 0.000 -2.446) 2.446 17.472 ( 0.000 0.000 -22.120) 22.120 18.572 ( 0.000 0.000 5.148) 5.148 18.688 ( 0.000 0.000 -6.976) 6.976 19.004 ( -0.000 -0.000 9.640) 9.640 19.113 ( 0.000 0.000 -1.945) 1.945 20.344 ( -0.000 -0.000 1.320) 1.320 20.380 ( 0.000 0.000 -2.337) 2.337 ======================= Grid point 864 (100/132) ======================= q-point: ( 0.05 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 19.224 33.297 33.358) 50.902 3.011 ( 17.828 30.879 40.499) 53.959 3.373 ( 15.537 26.911 -31.691) 44.384 3.753 ( 19.290 33.412 -35.777) 52.616 4.188 ( 26.834 46.477 45.182) 70.154 5.041 ( 12.155 21.054 -40.646) 47.362 7.450 ( 3.597 6.231 16.274) 17.794 7.740 ( 3.186 5.518 -13.378) 14.818 8.029 ( 16.816 29.126 13.282) 36.160 8.306 ( 14.253 24.687 -14.769) 32.105 12.306 ( -19.510 -33.792 7.124) 39.665 12.321 ( -18.187 -31.501 4.606) 36.665 16.246 ( 0.918 1.589 2.908) 3.439 16.289 ( 0.694 1.203 -1.103) 1.773 16.455 ( 4.852 8.404 1.883) 9.885 16.510 ( 4.887 8.464 -3.417) 10.353 17.408 ( -0.311 -0.538 2.335) 2.417 17.450 ( -0.485 -0.840 -1.835) 2.076 17.826 ( 7.101 12.300 12.233) 18.744 18.112 ( 7.348 12.727 -17.585) 22.918 21.897 ( -23.707 -41.061 25.295) 53.739 22.287 ( -23.876 -41.354 -15.595) 50.234 22.850 ( -6.965 -12.063 1.841) 14.051 22.885 ( -8.236 -14.265 -1.730) 16.562 ======================= Grid point 865 (101/132) ======================= q-point: ( 0.10 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 27.679 34.205 25.164) 50.688 3.645 ( 23.968 26.264 34.490) 49.536 4.005 ( 23.189 30.297 -24.796) 45.502 4.365 ( 19.315 22.075 -36.638) 46.933 5.316 ( 43.925 49.141 22.856) 69.761 5.712 ( 31.350 34.845 -15.988) 49.524 7.607 ( 5.808 8.565 15.273) 18.449 7.879 ( 5.088 7.669 -12.540) 15.555 8.689 ( 25.512 27.997 6.466) 38.425 8.852 ( 21.113 22.812 -9.503) 32.503 11.737 ( -16.723 -19.154 2.786) 25.579 11.745 ( -17.206 -20.164 1.982) 26.581 16.272 ( -0.174 2.824 3.569) 4.555 16.335 ( 3.039 0.607 -2.571) 4.027 16.647 ( 6.919 9.629 2.165) 12.053 16.705 ( 8.161 7.542 -3.702) 11.713 17.389 ( -1.715 0.120 2.594) 3.112 17.433 ( -0.466 -0.912 -1.850) 2.115 18.044 ( 6.612 7.084 12.150) 15.541 18.299 ( 4.644 4.762 -13.995) 15.495 21.133 ( -24.874 -28.833 18.415) 42.298 21.462 ( -27.655 -32.079 -15.411) 45.070 22.542 ( -13.551 -15.713 1.044) 20.775 22.557 ( -11.656 -13.543 -0.483) 17.874 ======================= Grid point 866 (102/132) ======================= q-point: ( 0.15 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 30.086 32.706 18.939) 48.307 4.379 ( 29.919 27.319 23.757) 46.967 4.739 ( 25.677 30.914 -19.678) 44.746 4.923 ( 21.809 21.354 -28.262) 41.597 6.564 ( 45.980 41.430 9.584) 62.630 6.684 ( 38.429 33.724 -1.575) 51.152 7.813 ( 6.668 10.707 13.927) 18.790 8.060 ( 5.741 9.625 -11.416) 15.998 9.438 ( 29.541 25.573 -0.451) 39.075 9.483 ( 26.164 21.807 -4.584) 34.367 11.319 ( -12.874 -12.346 2.292) 17.984 11.339 ( -12.201 -12.453 0.313) 17.437 16.300 ( 0.041 2.993 4.882) 5.726 16.396 ( 2.946 1.219 -4.836) 5.792 16.875 ( 8.453 8.761 2.321) 12.393 16.934 ( 9.669 7.250 -3.592) 12.608 17.353 ( -2.873 0.828 3.764) 4.807 17.415 ( -1.051 -0.152 -2.561) 2.772 18.199 ( 5.342 3.765 9.418) 11.464 18.387 ( 2.639 1.232 -9.844) 10.266 20.447 ( -24.332 -23.899 13.773) 36.782 20.715 ( -25.574 -25.218 -13.649) 38.423 22.122 ( -16.399 -16.068 4.281) 23.354 22.195 ( -14.009 -13.811 -3.271) 19.942 ======================= Grid point 867 (103/132) ======================= q-point: ( 0.20 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.156 ( 29.814 30.322 13.830) 44.717 5.195 ( 32.204 27.143 14.335) 44.490 5.484 ( 25.243 29.422 -15.204) 41.642 5.553 ( 24.996 23.258 -18.010) 38.601 7.604 ( 34.408 26.041 8.048) 43.896 7.696 ( 40.007 29.699 -1.634) 49.852 8.047 ( 6.867 13.309 12.260) 19.355 8.263 ( 5.598 11.620 -9.986) 16.312 10.155 ( 26.905 19.368 -0.940) 33.165 10.199 ( 28.730 21.079 -5.370) 36.035 11.050 ( -6.200 -6.418 3.516) 9.591 11.089 ( -4.315 -5.694 -0.299) 7.150 16.332 ( 0.050 3.097 5.928) 6.689 16.456 ( 2.136 1.778 -6.793) 7.339 17.091 ( 7.563 5.208 3.575) 9.854 17.172 ( 9.567 5.688 -4.538) 12.020 17.316 ( -3.087 3.147 5.143) 6.773 17.397 ( -1.659 1.956 -3.278) 4.162 18.313 ( 4.802 1.917 5.768) 7.746 18.428 ( 1.860 -0.376 -5.977) 6.271 19.821 ( -22.150 -20.512 12.882) 32.822 20.085 ( -21.182 -19.931 -14.141) 32.340 21.668 ( -17.385 -15.812 8.221) 24.897 21.811 ( -14.520 -13.401 -6.442) 20.782 ======================= Grid point 868 (104/132) ======================= q-point: ( 0.25 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.939 ( 26.565 28.338 10.024) 40.115 6.006 ( 31.500 24.120 6.559) 40.213 6.184 ( 23.741 26.116 -10.032) 36.692 6.222 ( 24.343 23.915 -10.572) 35.725 8.221 ( 10.471 10.876 10.261) 18.254 8.367 ( 17.723 14.132 4.260) 23.065 8.445 ( 12.357 15.591 -0.033) 19.895 8.621 ( 25.151 22.285 -9.081) 34.809 10.549 ( 1.816 0.708 3.361) 3.885 10.650 ( 5.262 3.120 -6.662) 9.044 11.203 ( 24.974 13.741 4.277) 28.823 11.269 ( 24.420 13.364 -2.415) 27.943 16.361 ( -0.373 3.268 6.401) 7.197 16.501 ( 0.631 2.203 -8.035) 8.356 17.182 ( 0.558 -1.449 6.482) 6.666 17.299 ( 1.303 -0.918 -5.201) 5.440 17.357 ( 0.944 7.740 5.148) 9.343 17.459 ( 4.153 8.120 -4.952) 10.378 18.402 ( 3.912 0.307 2.482) 4.643 18.454 ( 2.386 -0.732 -2.792) 3.745 19.295 ( -16.713 -16.365 14.235) 27.382 19.594 ( -15.113 -15.337 -16.672) 27.231 21.220 ( -16.426 -14.814 12.732) 25.522 21.436 ( -13.662 -12.637 -9.608) 20.944 ======================= Grid point 869 (105/132) ======================= q-point: ( 0.30 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.625 ( 21.544 25.592 7.278) 34.236 6.735 ( 26.229 20.537 -1.091) 33.331 6.816 ( 21.097 22.591 -3.874) 31.152 6.847 ( 21.513 21.563 -5.268) 30.912 8.443 ( 4.805 10.796 8.557) 14.590 8.601 ( 4.107 9.296 -7.448) 12.600 8.871 ( 13.031 11.837 15.540) 23.482 9.174 ( 15.947 12.238 -15.642) 25.471 10.514 ( 0.031 -1.297 10.133) 10.216 10.693 ( 2.410 0.204 -8.235) 8.583 11.897 ( 32.198 16.647 1.582) 36.281 11.928 ( 30.106 15.436 -1.628) 33.871 16.382 ( -1.169 3.518 6.145) 7.177 16.519 ( -1.404 2.540 -8.003) 8.513 17.151 ( -1.355 -1.560 7.361) 7.646 17.274 ( -1.994 -0.801 -5.327) 5.744 17.425 ( -2.053 4.905 8.334) 9.886 17.599 ( 2.502 5.292 -9.478) 11.140 18.440 ( 1.936 -1.757 3.321) 4.227 18.508 ( 3.814 -0.415 -3.513) 5.202 18.955 ( -6.628 -9.883 14.568) 18.811 19.264 ( -7.946 -10.825 -17.814) 22.308 20.822 ( -13.305 -12.878 16.386) 24.726 21.093 ( -11.891 -11.725 -11.864) 20.485 ======================= Grid point 870 (106/132) ======================= q-point: ( 0.35 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.181 ( 14.906 22.313 5.136) 27.321 7.289 ( 14.686 19.921 -5.841) 25.430 7.348 ( 17.849 15.269 1.908) 23.566 7.399 ( 19.517 17.569 -3.240) 26.459 8.611 ( 2.605 9.934 6.923) 12.386 8.742 ( 2.028 8.440 -6.388) 10.778 9.094 ( 3.569 5.647 14.883) 16.314 9.399 ( 2.215 3.082 -16.659) 17.085 10.587 ( 7.138 2.723 11.367) 13.696 10.773 ( 5.483 1.550 -8.086) 9.892 12.546 ( 25.480 10.791 1.043) 27.690 12.567 ( 27.694 12.002 -1.063) 30.202 16.391 ( -2.072 3.825 5.210) 6.787 16.505 ( -3.187 2.861 -6.570) 7.843 17.115 ( -0.885 -1.714 7.143) 7.399 17.230 ( -2.375 -0.190 -4.684) 5.255 17.371 ( -7.078 1.447 11.406) 13.501 17.628 ( -2.545 0.903 -14.868) 15.112 18.459 ( 2.829 -1.786 5.435) 6.382 18.565 ( 3.708 -0.894 -4.919) 6.225 18.865 ( 2.575 -3.718 11.165) 12.046 19.103 ( -1.273 -6.201 -13.791) 15.175 20.517 ( -8.407 -10.223 16.722) 21.327 20.795 ( -9.606 -10.764 -12.197) 18.893 ======================= Grid point 871 (107/132) ======================= q-point: ( 0.40 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.575 ( 6.806 18.636 3.577) 20.160 7.652 ( 6.028 17.241 -4.371) 18.781 7.727 ( 11.141 10.317 5.254) 16.068 7.835 ( 13.595 11.517 -5.818) 18.743 8.729 ( 0.453 8.308 5.665) 10.065 8.839 ( 0.306 6.874 -5.469) 8.790 9.145 ( -1.541 2.902 11.844) 12.291 9.380 ( -3.784 -0.556 -12.383) 12.960 10.763 ( 8.126 3.352 7.124) 11.314 10.886 ( 5.124 1.118 -5.530) 7.621 13.000 ( 17.645 4.773 3.372) 18.588 13.064 ( 19.279 5.503 -3.223) 20.307 16.389 ( -2.686 4.168 3.957) 6.344 16.473 ( -3.792 3.294 -4.675) 6.862 17.080 ( -0.530 -3.271 8.639) 9.253 17.193 ( -1.978 0.518 -3.403) 3.970 17.256 ( -6.988 2.097 10.564) 12.838 17.555 ( -4.352 -1.699 -18.979) 19.546 18.503 ( 3.584 -1.137 5.531) 6.688 18.620 ( 3.633 -1.136 -6.122) 7.209 18.910 ( 4.736 -1.959 9.416) 10.721 19.071 ( 2.085 -3.248 -7.173) 8.145 20.335 ( -2.539 -7.215 12.195) 14.395 20.550 ( -6.862 -9.615 -9.913) 15.421 ======================= Grid point 872 (108/132) ======================= q-point: ( 0.45 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.780 ( -2.285 14.440 2.668) 14.861 7.837 ( -2.139 13.047 -3.205) 13.605 7.929 ( 3.038 5.186 7.396) 9.531 8.079 ( 4.397 5.229 -7.908) 10.450 8.790 ( -1.918 6.452 4.980) 8.373 8.888 ( -1.531 5.165 -4.960) 7.322 9.133 ( -2.315 2.733 9.290) 9.957 9.311 ( -2.795 0.225 -9.037) 9.462 10.896 ( 3.988 1.156 3.108) 5.186 10.951 ( 2.048 -0.831 -2.510) 3.345 13.238 ( 7.959 -1.608 4.650) 9.357 13.327 ( 8.641 -1.543 -4.416) 9.826 16.384 ( -2.778 4.503 3.035) 6.100 16.448 ( -3.106 3.937 -3.462) 6.094 17.038 ( 0.506 -3.946 12.488) 13.106 17.175 ( -1.208 1.563 -2.703) 3.348 17.193 ( -4.093 4.151 6.554) 8.771 17.480 ( -1.891 -1.186 -20.605) 20.726 18.544 ( 2.307 -1.647 5.088) 5.824 18.658 ( 2.337 -1.970 -6.759) 7.418 18.963 ( 3.310 -2.334 9.629) 10.446 19.081 ( 2.071 -2.865 -2.661) 4.425 20.286 ( 3.238 -4.170 4.199) 6.745 20.375 ( -2.989 -7.712 -4.747) 9.536 ======================= Grid point 885 (109/132) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 23.017 39.867 18.852) 49.745 4.250 ( 19.717 34.150 24.399) 46.371 4.681 ( 21.022 36.412 -19.375) 46.294 4.840 ( 15.102 26.157 -28.919) 41.816 6.363 ( 31.128 53.915 10.984) 63.218 6.512 ( 24.988 43.280 -2.996) 50.065 7.815 ( 6.926 11.997 14.124) 19.783 8.065 ( 6.197 10.733 -11.478) 16.893 9.302 ( 19.023 32.948 0.182) 38.046 9.359 ( 16.042 27.786 -5.033) 32.477 11.372 ( -9.501 -16.457 1.954) 19.103 11.383 ( -9.439 -16.349 0.760) 18.894 16.335 ( 1.640 2.840 1.874) 3.778 16.358 ( 1.257 2.177 -0.458) 2.555 16.857 ( 6.346 10.991 -0.377) 12.697 16.874 ( 5.405 9.361 -2.292) 11.050 17.394 ( 0.092 0.160 1.835) 1.845 17.417 ( -0.255 -0.441 -0.443) 0.675 18.168 ( 3.096 5.363 9.814) 11.604 18.368 ( 1.296 2.245 -10.511) 10.826 20.540 ( -17.441 -30.209 14.158) 37.647 20.813 ( -18.614 -32.240 -13.753) 39.687 22.184 ( -11.458 -19.846 3.753) 23.221 22.248 ( -9.860 -17.079 -2.823) 19.922 ======================= Grid point 886 (110/132) ======================= q-point: ( 0.15 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.981 ( 25.321 33.424 15.422) 44.679 5.039 ( 25.056 37.376 12.741) 46.767 5.405 ( 19.709 30.721 -16.693) 40.136 5.430 ( 22.218 33.430 -16.526) 43.408 7.362 ( 27.510 34.768 5.561) 44.682 7.402 ( 32.744 39.850 1.025) 51.588 8.076 ( 7.373 15.410 12.586) 21.218 8.296 ( 6.267 13.695 -10.030) 18.095 9.948 ( 21.231 24.932 -1.329) 32.774 9.980 ( 23.356 27.858 -4.749) 36.662 11.091 ( -7.786 -10.456 2.119) 13.208 11.105 ( -6.136 -10.041 0.759) 11.791 16.375 ( -0.460 4.380 2.944) 5.297 16.426 ( 3.497 1.785 -2.135) 4.469 17.049 ( 4.992 8.127 0.305) 9.542 17.085 ( 7.898 7.592 -3.161) 11.402 17.393 ( -1.615 3.293 2.853) 4.646 17.426 ( 0.712 1.516 -0.543) 1.761 18.261 ( 3.268 2.569 6.603) 7.803 18.396 ( 1.049 -0.294 -7.072) 7.155 19.943 ( -18.744 -26.189 12.662) 34.605 20.200 ( -18.411 -25.940 -13.625) 34.605 21.765 ( -14.078 -19.499 7.197) 25.104 21.889 ( -11.886 -16.604 -5.659) 21.189 ======================= Grid point 887 (111/132) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.761 ( 27.276 30.654 8.415) 41.886 5.824 ( 24.222 33.954 6.873) 42.270 6.051 ( 21.369 28.620 -6.854) 36.369 6.154 ( 20.534 35.013 -12.441) 42.454 8.086 ( 21.519 22.519 9.791) 32.650 8.223 ( 21.596 22.493 -2.641) 31.294 8.404 ( 11.995 21.889 6.838) 25.880 8.562 ( 8.173 17.845 -7.856) 21.142 10.483 ( 11.540 10.444 0.939) 15.593 10.562 ( 13.080 12.382 -6.782) 19.246 10.996 ( 9.111 4.233 5.018) 11.230 11.057 ( 10.541 5.293 -1.208) 11.857 16.413 ( -0.567 4.887 4.431) 6.621 16.502 ( 2.487 2.894 -4.623) 5.994 17.167 ( 1.505 2.784 3.241) 4.530 17.250 ( 4.411 2.210 -5.038) 7.051 17.432 ( 0.110 7.774 4.030) 8.757 17.489 ( 2.378 7.157 -1.783) 7.750 18.336 ( 3.620 0.473 3.247) 4.886 18.405 ( 1.516 -1.808 -3.801) 4.475 19.391 ( -16.607 -22.297 13.523) 30.916 19.674 ( -15.110 -20.959 -15.670) 30.219 21.323 ( -14.720 -18.643 11.384) 26.341 21.517 ( -12.248 -15.884 -8.725) 21.873 ======================= Grid point 888 (112/132) ======================= q-point: ( 0.25 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.509 ( 25.718 26.502 3.060) 37.056 6.538 ( 21.866 28.935 2.467) 36.351 6.692 ( 19.610 28.116 1.097) 34.296 6.820 ( 16.937 33.091 -9.430) 38.351 8.492 ( 6.197 15.962 8.406) 19.075 8.634 ( 7.420 14.755 -3.922) 16.975 8.800 ( 10.786 17.709 9.428) 22.778 9.026 ( 17.893 17.895 -11.763) 27.906 10.511 ( -2.173 -3.328 7.725) 8.688 10.661 ( 0.825 -0.920 -7.509) 7.610 11.524 ( 29.305 17.101 2.868) 34.051 11.577 ( 27.752 16.118 -2.476) 32.188 16.451 ( -1.133 5.591 5.289) 7.780 16.564 ( 0.493 4.227 -6.382) 7.671 17.170 ( -1.875 0.218 6.215) 6.496 17.289 ( -0.116 -0.065 -5.868) 5.870 17.519 ( -0.829 8.099 5.682) 9.928 17.625 ( 2.615 8.272 -5.205) 10.117 18.380 ( 2.102 -2.634 2.160) 4.003 18.429 ( 3.732 -1.834 -2.700) 4.958 18.959 ( -9.495 -16.791 14.724) 24.267 19.273 ( -9.243 -16.587 -17.927) 26.114 20.900 ( -13.128 -17.057 15.453) 26.497 21.158 ( -11.282 -15.142 -11.328) 22.020 ======================= Grid point 889 (113/132) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.139 ( 18.131 22.273 1.190) 28.744 7.160 ( 21.311 21.418 -0.965) 30.230 7.272 ( 14.854 27.880 4.766) 31.948 7.388 ( 12.114 30.273 -6.696) 33.288 8.707 ( 1.423 15.129 6.315) 16.456 8.833 ( 0.685 13.705 -6.130) 15.029 9.099 ( 5.560 11.527 13.609) 18.681 9.378 ( 6.745 8.323 -15.299) 18.677 10.500 ( 4.238 -0.016 11.747) 12.489 10.695 ( 4.217 0.025 -8.568) 9.550 12.188 ( 28.921 12.188 0.354) 31.387 12.195 ( 27.088 11.096 -0.337) 29.275 16.483 ( -2.174 6.399 5.369) 8.631 16.599 ( -2.229 5.559 -6.671) 8.965 17.128 ( -2.391 -0.809 7.925) 8.317 17.268 ( -1.927 0.097 -6.352) 6.639 17.522 ( -6.492 4.628 8.179) 11.422 17.697 ( -2.292 4.246 -9.886) 11.001 18.378 ( 2.708 -4.357 4.927) 7.113 18.477 ( 4.184 -2.751 -4.878) 6.990 18.765 ( 1.474 -8.825 12.700) 15.536 19.038 ( -1.698 -11.394 -16.157) 19.843 20.544 ( -9.371 -14.798 17.400) 24.689 20.831 ( -9.385 -14.459 -12.511) 21.299 ======================= Grid point 890 (114/132) ======================= q-point: ( 0.35 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.595 ( 12.835 15.318 3.036) 20.214 7.661 ( 14.396 16.767 -3.242) 22.336 7.747 ( 8.232 26.633 3.795) 28.134 7.831 ( 6.181 26.522 -4.365) 27.580 8.848 ( -1.367 13.122 4.430) 13.917 8.947 ( -2.007 11.705 -5.358) 13.029 9.225 ( -1.524 8.265 11.342) 14.116 9.448 ( -2.974 2.471 -11.742) 12.363 10.643 ( 9.074 2.881 8.831) 12.986 10.795 ( 6.150 0.630 -6.803) 9.193 12.696 ( 21.961 4.073 2.186) 22.442 12.738 ( 23.847 4.950 -2.081) 24.444 16.502 ( -3.368 7.165 4.618) 9.165 16.599 ( -4.615 6.519 -5.348) 9.612 17.072 ( -2.213 -2.805 9.639) 10.280 17.233 ( -2.080 0.231 -6.584) 6.909 17.417 ( -8.534 3.175 8.684) 12.582 17.636 ( -6.133 -0.082 -14.115) 15.390 18.408 ( 4.862 -3.115 5.560) 8.016 18.525 ( 4.799 -3.132 -6.100) 8.369 18.778 ( 6.295 -4.919 10.196) 12.953 18.972 ( 3.486 -6.674 -10.220) 12.694 20.292 ( -4.035 -12.184 15.181) 19.879 20.550 ( -6.840 -13.708 -11.484) 19.146 ======================= Grid point 891 (115/132) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.882 ( 6.033 9.283 5.297) 12.273 7.982 ( 5.584 12.555 -4.358) 14.415 8.068 ( -0.976 24.278 1.855) 24.369 8.120 ( -0.305 20.769 -2.927) 20.977 8.924 ( -3.356 10.574 3.044) 11.503 9.002 ( -3.414 9.022 -4.600) 10.687 9.244 ( -4.798 7.907 8.007) 12.233 9.389 ( -5.019 2.081 -6.994) 8.857 10.816 ( 6.982 2.030 4.068) 8.332 10.890 ( 4.093 -0.494 -3.530) 5.427 13.019 ( 14.462 -2.897 3.851) 15.243 13.093 ( 15.625 -2.726 -3.667) 16.279 16.511 ( -4.252 7.807 3.307) 9.485 16.578 ( -5.323 7.066 -3.628) 9.562 17.001 ( -1.218 -4.491 12.601) 13.433 17.208 ( -1.124 0.336 -7.438) 7.530 17.330 ( -6.156 5.164 6.223) 10.163 17.528 ( -4.970 -0.481 -15.403) 16.192 18.462 ( 4.350 -2.874 4.888) 7.147 18.572 ( 4.287 -3.698 -6.328) 8.491 18.847 ( 6.212 -4.251 9.806) 12.361 18.986 ( 4.118 -5.251 -4.727) 8.178 20.169 ( 2.195 -9.265 8.473) 12.746 20.328 ( -3.472 -12.452 -7.730) 15.062 ======================= Grid point 892 (116/132) ======================= q-point: ( 0.45 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.982 ( -2.223 3.850 6.212) 7.639 8.094 ( -4.234 7.334 -4.918) 9.793 8.182 ( -12.134 21.017 1.670) 24.326 8.224 ( -7.913 13.706 -2.886) 16.088 8.947 ( -5.081 8.800 2.491) 10.462 9.016 ( -4.262 7.382 -4.273) 9.535 9.239 ( -4.926 8.533 6.504) 11.806 9.351 ( -2.392 4.143 -5.098) 6.991 10.900 ( 0.497 -0.862 0.793) 1.272 10.914 ( 1.470 -2.546 -0.655) 3.012 13.130 ( 5.265 -9.119 4.420) 11.420 13.215 ( 5.537 -9.590 -4.210) 11.847 16.513 ( -4.662 8.074 2.536) 9.662 16.566 ( -4.422 7.659 -2.887) 9.303 16.964 ( 1.978 -3.425 14.051) 14.597 17.200 ( -0.256 0.444 -8.347) 8.363 17.304 ( -3.906 6.766 5.107) 9.334 17.479 ( -1.018 1.764 -15.151) 15.287 18.487 ( 2.263 -3.919 4.580) 6.439 18.591 ( 2.695 -4.668 -6.212) 8.224 18.884 ( 3.227 -5.589 9.660) 11.617 18.995 ( 3.224 -5.584 -2.207) 6.815 20.169 ( 4.707 -8.153 1.346) 9.510 20.207 ( 4.641 -8.039 -2.424) 9.594 ======================= Grid point 907 (117/132) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.677 ( 20.648 35.764 9.188) 42.307 5.783 ( 20.978 36.336 3.679) 42.118 6.014 ( 18.689 32.370 -3.824) 37.573 6.158 ( 21.195 36.711 -13.058) 44.356 8.005 ( 17.094 29.608 9.264) 35.421 8.136 ( 18.425 31.913 -3.929) 37.058 8.423 ( 11.389 19.726 9.009) 24.495 8.590 ( 8.962 15.523 -7.985) 19.623 10.422 ( 10.850 18.792 0.632) 21.708 10.499 ( 11.790 20.421 -7.079) 24.620 10.946 ( 0.068 0.117 4.757) 4.759 10.997 ( 1.445 2.503 -0.493) 2.932 16.463 ( 1.830 3.170 1.018) 3.799 16.476 ( 2.506 4.341 -0.185) 5.016 17.178 ( 2.476 4.288 0.097) 4.953 17.213 ( 2.724 4.718 -3.304) 6.371 17.482 ( 2.882 4.992 2.355) 6.227 17.499 ( 3.864 6.693 0.557) 7.748 18.305 ( 1.080 1.870 3.467) 4.084 18.380 ( -0.644 -1.115 -4.260) 4.450 19.423 ( -14.728 -25.509 13.231) 32.291 19.700 ( -13.782 -23.872 -15.265) 31.509 21.357 ( -12.190 -21.114 10.895) 26.704 21.544 ( -10.326 -17.884 -8.396) 22.292 ======================= Grid point 908 (118/132) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.382 ( 21.822 31.180 4.390) 38.310 6.464 ( 19.676 29.629 -2.910) 35.686 6.680 ( 19.233 34.094 6.724) 39.717 6.865 ( 18.529 35.490 -11.004) 41.521 8.514 ( 11.979 20.399 9.899) 25.644 8.636 ( 11.457 19.924 0.348) 22.986 8.842 ( 8.932 21.081 -0.533) 22.901 8.932 ( 13.589 17.963 -6.914) 23.561 10.518 ( -2.577 -3.860 6.007) 7.591 10.647 ( -0.224 -0.878 -7.077) 7.134 11.273 ( 19.995 20.481 3.831) 28.878 11.338 ( 19.200 19.719 -2.755) 27.660 16.518 ( 0.181 5.369 3.079) 6.191 16.576 ( 3.191 4.735 -2.725) 6.327 17.215 ( -1.402 2.034 2.126) 3.259 17.276 ( 1.723 0.667 -3.950) 4.361 17.596 ( 1.892 8.172 3.997) 9.292 17.655 ( 4.150 8.747 -2.090) 9.904 18.333 ( 0.779 -0.833 0.809) 1.398 18.359 ( 1.191 -2.733 -1.766) 3.464 18.954 ( -11.749 -20.806 14.465) 27.932 19.264 ( -10.981 -19.785 -17.696) 28.726 20.937 ( -12.410 -19.682 14.802) 27.577 21.185 ( -10.682 -17.216 -10.952) 23.032 ======================= Grid point 909 (119/132) ======================= q-point: ( 0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.030 ( 19.982 25.448 0.594) 32.361 7.050 ( 17.571 23.218 -1.467) 29.155 7.327 ( 15.998 33.495 8.042) 37.981 7.492 ( 14.021 33.574 -8.832) 37.440 8.828 ( 4.066 16.575 7.847) 18.785 8.961 ( 3.781 17.669 -3.918) 18.489 9.146 ( 5.498 17.626 6.448) 19.558 9.331 ( 11.167 13.164 -11.326) 20.646 10.446 ( 0.373 -2.731 11.080) 11.418 10.637 ( 1.659 -1.186 -8.678) 8.915 11.852 ( 24.269 15.306 1.504) 28.732 11.879 ( 22.464 13.801 -1.282) 26.395 16.575 ( -0.573 6.526 4.847) 8.149 16.672 ( 1.135 6.554 -4.955) 8.294 17.184 ( -3.659 0.954 4.996) 6.266 17.290 ( -0.357 -0.077 -5.685) 5.697 17.669 ( -3.280 6.589 5.754) 9.342 17.777 ( -0.099 6.467 -5.370) 8.407 18.297 ( 0.246 -5.697 3.935) 6.928 18.377 ( 3.283 -3.428 -4.103) 6.274 18.657 ( -2.026 -12.548 13.331) 18.419 18.952 ( -4.241 -14.994 -17.636) 23.534 20.552 ( -10.329 -17.657 17.446) 26.885 20.839 ( -9.709 -16.687 -12.532) 23.017 ======================= Grid point 910 (120/132) ======================= q-point: ( 0.30 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.522 ( 13.681 17.376 1.957) 22.202 7.567 ( 15.916 19.136 -2.561) 25.021 7.883 ( 10.856 30.853 6.438) 33.335 8.010 ( 8.443 30.999 -6.496) 32.778 9.006 ( -0.445 13.606 5.511) 14.687 9.127 ( -2.622 14.633 -6.359) 16.169 9.366 ( -0.307 16.505 8.114) 18.394 9.532 ( -0.310 8.691 -9.124) 12.605 10.515 ( 8.052 1.486 10.511) 13.324 10.695 ( 5.498 0.028 -8.128) 9.813 12.356 ( 21.397 5.094 1.079) 22.022 12.376 ( 23.191 6.236 -0.913) 24.032 16.625 ( -1.770 7.348 5.815) 9.536 16.738 ( -2.214 8.247 -5.785) 10.314 17.110 ( -4.739 -1.182 7.645) 9.072 17.265 ( -1.883 -0.836 -7.863) 8.129 17.603 ( -8.717 3.480 7.183) 11.820 17.756 ( -6.303 1.464 -8.816) 10.936 18.285 ( 4.648 -4.187 5.545) 8.359 18.402 ( 4.568 -4.610 -6.236) 9.001 18.612 ( 5.727 -6.420 10.574) 13.632 18.829 ( 3.324 -9.168 -12.648) 15.971 20.242 ( -6.234 -15.316 16.980) 23.702 20.524 ( -7.690 -16.177 -12.380) 21.774 ======================= Grid point 911 (121/132) ======================= q-point: ( 0.35 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.859 ( 8.282 11.806 4.511) 15.110 7.951 ( 9.994 12.585 -4.859) 16.789 8.303 ( 4.146 26.800 4.758) 27.533 8.392 ( 1.492 27.940 -4.260) 28.302 9.094 ( -3.171 10.916 3.225) 11.816 9.180 ( -5.171 10.482 -5.477) 12.908 9.467 ( -6.716 16.936 4.478) 18.761 9.540 ( -7.126 8.657 -2.939) 11.591 10.701 ( 9.122 2.888 5.481) 11.027 10.804 ( 5.877 0.598 -5.052) 7.773 12.704 ( 17.528 -3.383 2.867) 18.080 12.758 ( 18.839 -2.992 -2.697) 19.265 16.659 ( -2.925 7.833 5.349) 9.926 16.756 ( -5.465 8.788 -4.693) 11.364 17.004 ( -4.363 -3.569 10.355) 11.790 17.218 ( -1.424 -2.188 -10.774) 11.086 17.500 ( -7.271 5.128 5.734) 10.585 17.640 ( -7.118 1.070 -9.472) 11.897 18.345 ( 5.486 -3.057 4.390) 7.663 18.443 ( 5.355 -4.934 -5.708) 9.252 18.677 ( 7.555 -5.077 9.788) 13.366 18.839 ( 5.698 -6.688 -7.302) 11.424 20.041 ( -0.537 -12.718 12.301) 17.702 20.258 ( -4.728 -15.301 -9.943) 18.850 ======================= Grid point 912 (122/132) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.036 ( 1.463 6.543 5.816) 8.875 8.154 ( 2.428 6.220 -6.200) 9.112 8.541 ( -4.765 21.004 3.676) 21.849 8.603 ( -7.554 24.201 -2.643) 25.490 9.126 ( -4.751 9.686 1.482) 10.889 9.178 ( -5.277 8.241 -3.870) 10.523 9.492 ( -9.269 16.640 1.239) 19.087 9.500 ( -8.039 11.117 0.517) 13.729 10.842 ( 4.602 0.353 1.917) 4.998 10.882 ( 1.987 0.385 -2.067) 2.893 12.886 ( 11.334 -10.359 3.755) 15.808 12.958 ( 12.014 -10.687 -3.577) 16.473 16.683 ( -3.977 8.739 2.962) 10.048 16.736 ( -5.685 7.518 -2.497) 9.751 16.916 ( -1.328 -2.792 12.783) 13.151 17.184 ( 0.390 -2.489 -13.602) 13.833 17.456 ( -5.312 7.340 3.988) 9.899 17.561 ( -4.651 3.964 -7.884) 9.976 18.393 ( 3.866 -4.019 3.712) 6.699 18.476 ( 4.440 -5.796 -4.893) 8.789 18.745 ( 5.947 -5.856 9.242) 12.453 18.864 ( 4.646 -6.912 -3.253) 8.941 19.976 ( 5.876 -9.783 4.346) 12.212 20.068 ( -0.251 -13.229 -4.870) 14.099 ======================= Grid point 928 (123/132) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.983 ( 16.551 28.667 1.086) 33.119 7.013 ( 14.762 25.568 -1.984) 29.590 7.359 ( 18.995 32.901 8.973) 39.036 7.542 ( 18.473 31.996 -9.861) 38.239 8.875 ( 8.699 15.068 10.091) 20.113 9.021 ( 10.321 17.877 -1.577) 20.703 9.233 ( 9.250 16.021 -4.697) 19.087 9.262 ( 10.271 17.790 -4.265) 20.981 10.430 ( -2.097 -3.633 10.560) 11.363 10.617 ( -0.702 -1.217 -8.681) 8.794 11.709 ( 12.695 21.988 2.026) 25.470 11.745 ( 11.586 20.067 -1.643) 23.230 16.616 ( 2.559 4.433 4.245) 6.650 16.692 ( 3.792 6.568 -3.416) 8.318 17.239 ( -0.054 -0.093 1.112) 1.117 17.281 ( -0.005 -0.009 -3.004) 3.004 17.737 ( 3.022 5.234 4.432) 7.495 17.811 ( 3.473 6.015 -3.147) 7.625 18.269 ( -3.201 -5.544 2.661) 6.933 18.322 ( -0.751 -1.301 -2.713) 3.101 18.608 ( -7.099 -12.296 13.203) 19.389 18.909 ( -8.605 -14.904 -18.234) 25.073 20.552 ( -10.744 -18.609 17.384) 27.639 20.839 ( -10.023 -17.361 -12.503) 23.626 ======================= Grid point 929 (124/132) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.478 ( 12.750 19.787 1.274) 23.573 7.508 ( 14.509 22.019 -1.694) 26.424 7.965 ( 14.701 29.675 7.803) 34.024 8.124 ( 13.351 29.067 -8.404) 33.072 9.107 ( 3.386 11.038 8.094) 14.100 9.276 ( 1.537 11.108 -8.783) 14.244 9.529 ( 5.269 21.004 3.615) 21.954 9.617 ( 7.077 18.065 -4.944) 20.022 10.413 ( 3.537 -0.470 12.155) 12.668 10.620 ( 2.426 -0.378 -9.401) 9.716 12.113 ( 13.583 9.507 0.427) 16.584 12.118 ( 14.934 11.013 -0.109) 18.556 16.695 ( 0.935 5.045 7.046) 8.717 16.821 ( 2.224 8.102 -5.598) 10.095 17.197 ( -4.748 -0.098 2.531) 5.381 17.273 ( -0.328 -1.855 -5.026) 5.367 17.764 ( -5.197 2.468 4.854) 7.528 17.848 ( -2.732 -0.440 -3.795) 4.696 18.188 ( 1.567 -3.107 5.526) 6.531 18.298 ( 1.544 -3.903 -5.500) 6.919 18.484 ( 1.386 -5.129 9.247) 10.664 18.706 ( -0.741 -9.144 -14.254) 16.951 20.209 ( -8.449 -16.377 17.722) 25.567 20.501 ( -9.045 -16.949 -12.750) 23.057 ======================= Grid point 930 (125/132) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.838 ( 9.074 14.157 3.622) 17.201 7.910 ( 10.440 15.049 -3.750) 18.696 8.444 ( 9.120 24.653 6.389) 27.051 8.574 ( 7.675 24.484 -6.825) 26.551 9.228 ( -0.390 8.988 4.710) 10.155 9.338 ( -2.759 5.839 -6.706) 9.310 9.782 ( -3.713 24.640 2.663) 25.060 9.817 ( -6.131 20.919 -0.677) 21.809 10.557 ( 10.726 2.779 7.494) 13.377 10.702 ( 6.596 0.865 -7.143) 9.761 12.391 ( 14.011 -1.688 2.133) 14.272 12.431 ( 15.095 -0.877 -1.879) 15.237 16.742 ( -0.375 3.216 9.395) 9.937 16.912 ( -1.902 8.171 -7.663) 11.362 17.086 ( -6.648 -0.650 5.285) 8.518 17.225 ( -2.292 -2.597 -8.813) 9.469 17.667 ( -6.720 3.152 5.025) 8.963 17.762 ( -5.271 -0.243 -4.883) 7.190 18.233 ( 4.263 -1.035 3.262) 5.467 18.308 ( 3.977 -4.339 -4.319) 7.300 18.508 ( 5.863 -4.109 8.369) 11.014 18.675 ( 4.866 -6.447 -9.209) 12.249 19.946 ( -4.154 -14.007 14.783) 20.785 20.197 ( -6.766 -16.259 -11.220) 20.881 ======================= Grid point 931 (126/132) ======================= q-point: ( 0.35 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.066 ( 3.899 8.916 4.691) 10.803 8.161 ( 4.915 8.356 -4.911) 10.868 8.759 ( 2.109 18.410 5.370) 19.293 8.867 ( 1.226 18.219 -5.625) 19.107 9.286 ( -2.650 8.400 1.894) 9.009 9.330 ( -3.775 5.043 -2.691) 6.850 9.848 ( -12.950 22.294 3.609) 26.033 9.904 ( -11.397 25.585 -2.161) 28.092 10.760 ( 7.243 3.190 3.870) 8.810 10.839 ( 5.545 3.554 -4.193) 7.808 12.560 ( 12.840 -11.030 3.044) 17.199 12.618 ( 13.490 -11.085 -2.842) 17.690 16.750 ( 0.276 -0.526 8.972) 8.992 16.882 ( -5.735 0.771 -3.782) 6.913 17.012 ( -5.566 7.314 4.010) 10.028 17.172 ( -1.645 -0.151 -11.716) 11.831 17.619 ( -4.914 6.613 3.499) 8.951 17.691 ( -4.891 3.920 -4.139) 7.511 18.286 ( 3.920 -2.975 2.142) 5.367 18.333 ( 4.663 -6.008 -2.672) 8.061 18.578 ( 6.651 -4.720 8.061) 11.467 18.706 ( 5.432 -6.546 -5.220) 9.980 19.799 ( 1.988 -11.215 8.359) 14.128 19.955 ( -3.068 -14.641 -7.507) 16.737 ======================= Grid point 932 (127/132) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.145 ( -2.548 4.413 4.906) 7.074 8.245 ( -1.769 3.064 -5.248) 6.329 8.871 ( -7.010 12.141 4.950) 14.867 8.969 ( -6.843 11.853 -5.095) 14.604 9.306 ( -4.444 7.698 0.681) 8.914 9.321 ( -3.359 5.817 -0.884) 6.775 9.842 ( -13.658 23.657 4.774) 27.731 9.929 ( -14.573 25.242 -4.182) 29.445 10.840 ( -0.077 0.133 3.757) 3.760 10.914 ( -1.395 2.417 -3.778) 4.697 12.615 ( 9.429 -16.332 3.286) 19.143 12.678 ( 9.743 -16.876 -3.098) 19.731 16.753 ( 1.913 -3.313 7.228) 8.178 16.820 ( -1.523 2.637 -0.284) 3.059 17.003 ( -5.631 9.754 2.890) 11.628 17.161 ( -1.109 1.922 -12.592) 12.786 17.612 ( -4.587 7.944 2.648) 9.547 17.669 ( -3.615 6.261 -3.416) 7.996 18.306 ( 2.696 -4.669 1.797) 5.683 18.344 ( 4.210 -7.293 -2.175) 8.697 18.618 ( 3.848 -6.664 7.811) 10.965 18.720 ( 4.168 -7.218 -3.040) 8.872 19.782 ( 5.690 -9.856 1.972) 11.550 19.830 ( 5.513 -9.549 -2.839) 11.386 ======================= Grid point 950 (128/132) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.830 ( 8.827 15.288 3.284) 17.956 7.895 ( 9.535 16.514 -3.300) 19.353 8.487 ( 12.920 22.378 6.694) 26.694 8.627 ( 12.191 21.116 -7.613) 25.544 9.277 ( 3.728 6.456 5.091) 9.028 9.390 ( 1.174 2.033 -6.506) 6.917 9.967 ( 12.490 21.634 3.460) 25.219 10.032 ( 11.867 20.555 -3.054) 23.930 10.439 ( 2.266 3.925 10.781) 11.695 10.632 ( 1.232 2.135 -9.151) 9.477 12.250 ( 2.460 4.261 1.919) 5.282 12.284 ( 3.164 5.481 -1.574) 6.522 16.757 ( 0.471 0.815 10.816) 10.857 16.969 ( 3.080 5.334 -10.044) 11.783 17.157 ( -2.176 -3.769 2.210) 4.881 17.234 ( -0.618 -1.071 -5.105) 5.252 17.766 ( -1.128 -1.954 2.261) 3.194 17.787 ( -1.608 -2.785 0.117) 3.219 18.193 ( 1.130 1.957 2.312) 3.233 18.250 ( -0.579 -1.003 -3.458) 3.647 18.428 ( -0.432 -0.747 6.909) 6.963 18.589 ( -1.682 -2.913 -9.987) 10.539 19.912 ( -7.613 -13.186 15.603) 21.801 20.174 ( -9.037 -15.653 -11.625) 21.491 ======================= Grid point 951 (129/132) ======================= q-point: ( 0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.081 ( 5.410 10.082 3.879) 12.082 8.157 ( 5.693 9.582 -3.913) 11.812 8.852 ( 6.915 16.387 5.043) 18.487 8.961 ( 5.936 14.404 -6.157) 16.752 9.372 ( 0.612 5.264 1.806) 5.599 9.404 ( -1.024 1.738 -1.330) 2.416 10.289 ( -6.990 24.405 2.099) 25.473 10.316 ( -3.562 26.207 -0.634) 26.456 10.633 ( 13.268 5.596 5.280) 15.337 10.749 ( 9.328 5.040 -6.329) 12.348 12.288 ( 4.821 -8.618 2.765) 10.255 12.339 ( 5.134 -8.263 -2.446) 10.031 16.731 ( -1.133 -3.415 10.470) 11.071 16.934 ( -4.497 -6.597 -9.272) 12.236 17.159 ( -0.809 7.834 1.395) 7.998 17.233 ( -1.307 3.857 -5.684) 6.992 17.736 ( -2.110 3.799 2.586) 5.058 17.771 ( -0.538 1.580 -0.970) 1.931 18.218 ( 1.145 -1.458 0.628) 1.958 18.230 ( 0.630 -3.893 -0.606) 3.990 18.450 ( 3.707 -1.422 6.035) 7.224 18.572 ( 2.917 -3.746 -6.566) 8.103 19.697 ( -3.044 -10.588 10.868) 15.475 19.890 ( -6.223 -14.198 -8.895) 17.873 ======================= Grid point 952 (130/132) ======================= q-point: ( 0.35 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.213 ( 0.608 5.761 3.480) 6.758 8.283 ( 1.186 3.992 -3.673) 5.553 9.048 ( -0.447 11.294 3.458) 11.821 9.122 ( -0.384 8.562 -4.187) 9.539 9.400 ( -1.412 1.908 1.176) 2.649 9.410 ( -1.047 3.420 -0.004) 3.577 10.340 ( -12.701 23.694 3.741) 27.143 10.422 ( -11.177 23.031 -4.685) 26.025 10.864 ( 2.450 9.602 5.572) 11.369 10.968 ( 2.698 10.263 -5.072) 11.762 12.268 ( 9.161 -18.000 2.896) 20.403 12.322 ( 9.274 -18.300 -2.593) 20.678 16.687 ( 0.837 -3.766 7.013) 8.004 16.806 ( -1.018 -6.407 -4.680) 7.999 17.199 ( -4.658 9.536 0.516) 10.625 17.257 ( -2.712 6.803 -5.927) 9.421 17.754 ( -2.742 6.708 1.879) 7.487 17.784 ( -2.330 5.262 -1.109) 5.861 18.201 ( 3.010 -7.297 0.798) 7.934 18.212 ( 2.285 -4.858 -0.329) 5.379 18.500 ( 3.639 -2.689 5.598) 7.198 18.589 ( 3.490 -4.860 -3.619) 6.992 19.608 ( 3.245 -7.682 4.250) 9.360 19.694 ( -1.184 -11.062 -4.436) 11.978 ======================= Grid point 971 (131/132) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.237 ( 3.211 5.562 2.687) 6.962 8.291 ( 2.275 3.940 -2.805) 5.345 9.111 ( 5.644 9.775 2.597) 11.582 9.168 ( 4.006 6.938 -3.409) 8.706 9.420 ( -0.031 -0.054 1.148) 1.150 9.429 ( 0.284 0.492 0.124) 0.581 10.603 ( 3.597 6.231 1.945) 7.453 10.639 ( 3.037 5.261 -1.661) 6.298 10.925 ( 12.883 22.313 3.600) 26.016 11.005 ( 11.564 20.029 -4.592) 23.579 12.061 ( -7.667 -13.280 2.967) 15.618 12.114 ( -7.760 -13.441 -2.473) 15.716 16.660 ( -1.523 -2.639 6.313) 7.009 16.777 ( -4.191 -7.260 -5.355) 9.947 17.303 ( 3.172 5.493 -1.330) 6.481 17.321 ( 2.192 3.797 -2.766) 5.184 17.817 ( 2.488 4.310 1.539) 5.209 17.831 ( 2.392 4.142 0.233) 4.789 18.135 ( -3.221 -5.579 1.688) 6.660 18.157 ( -2.446 -4.237 -0.768) 4.953 18.455 ( 0.805 1.394 3.733) 4.065 18.528 ( -0.518 -0.898 -3.701) 3.843 19.539 ( -2.848 -4.934 5.723) 8.075 19.648 ( -5.532 -9.582 -5.377) 12.302 ======================= Grid point 972 (132/132) ======================= q-point: ( 0.35 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 5.98e-04 5.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.296 ( -1.495 2.590 1.400) 3.302 8.325 ( -0.272 0.471 -1.553) 1.645 9.221 ( -3.224 5.585 0.928) 6.515 9.240 ( -1.957 3.390 -1.077) 4.060 9.411 ( 0.141 -0.245 1.080) 1.117 9.423 ( 0.731 -1.266 -0.205) 1.477 10.656 ( -4.049 7.013 1.229) 8.191 10.681 ( -2.554 4.423 -1.385) 5.292 11.217 ( -12.335 21.365 2.820) 24.831 11.282 ( -10.757 18.632 -3.899) 21.865 11.872 ( 11.173 -19.353 2.833) 22.526 11.919 ( 11.485 -19.893 -2.004) 23.058 16.640 ( 0.317 -0.550 2.900) 2.968 16.692 ( 2.358 -4.084 -2.240) 5.220 17.352 ( -2.790 4.833 -0.942) 5.660 17.368 ( -1.789 3.099 -2.747) 4.511 17.879 ( -3.198 5.539 1.605) 6.594 17.893 ( -2.896 5.017 0.401) 5.807 18.054 ( 3.793 -6.570 2.600) 8.020 18.097 ( 3.276 -5.674 -1.959) 6.839 18.474 ( 0.159 -0.275 2.764) 2.783 18.522 ( 1.038 -1.797 -2.063) 2.926 19.503 ( 1.526 -2.642 1.407) 3.360 19.535 ( 2.518 -4.362 -1.827) 5.357 =================== 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 3/48000 10.0 666.706 666.706 962.539 0.000 0.000 0.000 3/48000 20.0 2253.217 2253.217 2364.339 0.000 0.000 0.000 3/48000 30.0 2017.081 2017.081 1694.604 0.000 0.000 0.000 3/48000 40.0 1430.124 1430.124 1234.881 0.000 0.000 0.000 3/48000 50.0 996.729 996.729 874.145 0.000 0.000 0.000 3/48000 60.0 706.367 706.367 593.934 0.000 0.000 0.000 3/48000 70.0 521.842 521.842 409.536 0.000 0.000 0.000 3/48000 80.0 406.498 406.498 295.738 0.000 0.000 0.000 3/48000 90.0 331.915 331.915 224.254 0.000 0.000 0.000 3/48000 100.0 280.838 280.838 177.191 0.000 0.000 0.000 3/48000 110.0 243.711 243.711 144.628 0.000 0.000 0.000 3/48000 120.0 215.312 215.312 121.093 0.000 0.000 0.000 3/48000 130.0 192.720 192.720 103.458 0.000 0.000 0.000 3/48000 140.0 174.230 174.230 89.853 0.000 0.000 0.000 3/48000 150.0 158.790 158.790 79.107 0.000 0.000 0.000 3/48000 160.0 145.705 145.705 70.453 0.000 0.000 0.000 3/48000 170.0 134.492 134.492 63.371 0.000 0.000 0.000 3/48000 180.0 124.797 124.797 57.494 0.000 0.000 0.000 3/48000 190.0 116.350 116.350 52.557 0.000 0.000 0.000 3/48000 200.0 108.941 108.941 48.366 0.000 0.000 0.000 3/48000 210.0 102.402 102.402 44.773 0.000 0.000 0.000 3/48000 220.0 96.599 96.599 41.667 0.000 0.000 0.000 3/48000 230.0 91.421 91.421 38.959 0.000 0.000 0.000 3/48000 240.0 86.778 86.778 36.582 0.000 0.000 0.000 3/48000 250.0 82.593 82.593 34.481 0.000 0.000 0.000 3/48000 260.0 78.807 78.807 32.613 0.000 0.000 0.000 3/48000 270.0 75.365 75.365 30.941 0.000 0.000 0.000 3/48000 280.0 72.224 72.224 29.438 0.000 0.000 0.000 3/48000 290.0 69.348 69.348 28.080 0.000 0.000 0.000 3/48000 300.0 66.703 66.703 26.847 0.000 0.000 0.000 3/48000 310.0 64.265 64.265 25.723 0.000 0.000 0.000 3/48000 320.0 62.009 62.009 24.694 0.000 0.000 0.000 3/48000 330.0 59.916 59.916 23.748 0.000 0.000 0.000 3/48000 340.0 57.969 57.969 22.877 0.000 0.000 0.000 3/48000 350.0 56.152 56.152 22.070 0.000 0.000 0.000 3/48000 360.0 54.454 54.454 21.322 0.000 0.000 0.000 3/48000 370.0 52.862 52.862 20.626 0.000 0.000 0.000 3/48000 380.0 51.367 51.367 19.977 0.000 0.000 0.000 3/48000 390.0 49.960 49.960 19.370 0.000 0.000 0.000 3/48000 400.0 48.633 48.633 18.802 0.000 0.000 0.000 3/48000 410.0 47.379 47.379 18.267 0.000 0.000 0.000 3/48000 420.0 46.193 46.193 17.764 0.000 0.000 0.000 3/48000 430.0 45.068 45.068 17.290 0.000 0.000 0.000 3/48000 440.0 44.001 44.001 16.842 0.000 0.000 0.000 3/48000 450.0 42.986 42.986 16.418 0.000 0.000 0.000 3/48000 460.0 42.020 42.020 16.016 0.000 0.000 0.000 3/48000 470.0 41.099 41.099 15.635 0.000 0.000 0.000 3/48000 480.0 40.220 40.220 15.272 0.000 0.000 0.000 3/48000 490.0 39.380 39.380 14.927 0.000 0.000 0.000 3/48000 500.0 38.576 38.576 14.597 0.000 0.000 0.000 3/48000 510.0 37.807 37.807 14.283 0.000 0.000 0.000 3/48000 520.0 37.069 37.069 13.983 0.000 0.000 0.000 3/48000 530.0 36.361 36.361 13.696 0.000 0.000 0.000 3/48000 540.0 35.681 35.681 13.421 0.000 0.000 0.000 3/48000 550.0 35.028 35.028 13.157 0.000 0.000 0.000 3/48000 560.0 34.399 34.399 12.904 0.000 0.000 0.000 3/48000 570.0 33.794 33.794 12.661 0.000 0.000 0.000 3/48000 580.0 33.210 33.210 12.428 0.000 0.000 0.000 3/48000 590.0 32.648 32.648 12.203 0.000 0.000 0.000 3/48000 600.0 32.105 32.105 11.987 0.000 0.000 0.000 3/48000 610.0 31.580 31.580 11.778 0.000 0.000 0.000 3/48000 620.0 31.074 31.074 11.577 0.000 0.000 0.000 3/48000 630.0 30.584 30.584 11.383 0.000 0.000 0.000 3/48000 640.0 30.110 30.110 11.196 0.000 0.000 0.000 3/48000 650.0 29.651 29.651 11.015 0.000 0.000 0.000 3/48000 660.0 29.206 29.206 10.840 0.000 0.000 0.000 3/48000 670.0 28.775 28.775 10.671 0.000 0.000 0.000 3/48000 680.0 28.357 28.357 10.507 0.000 0.000 0.000 3/48000 690.0 27.952 27.952 10.348 0.000 0.000 0.000 3/48000 700.0 27.558 27.558 10.194 0.000 0.000 0.000 3/48000 710.0 27.176 27.176 10.045 0.000 0.000 0.000 3/48000 720.0 26.805 26.805 9.900 0.000 0.000 0.000 3/48000 730.0 26.444 26.444 9.760 0.000 0.000 0.000 3/48000 740.0 26.093 26.093 9.623 0.000 0.000 0.000 3/48000 750.0 25.751 25.751 9.491 0.000 0.000 0.000 3/48000 760.0 25.419 25.419 9.362 0.000 0.000 0.000 3/48000 770.0 25.095 25.095 9.237 0.000 0.000 0.000 3/48000 780.0 24.780 24.780 9.115 0.000 0.000 0.000 3/48000 790.0 24.473 24.473 8.997 0.000 0.000 0.000 3/48000 800.0 24.173 24.173 8.881 0.000 0.000 0.000 3/48000 810.0 23.881 23.881 8.769 0.000 0.000 0.000 3/48000 820.0 23.597 23.597 8.659 0.000 0.000 0.000 3/48000 830.0 23.319 23.319 8.552 0.000 0.000 0.000 3/48000 840.0 23.048 23.048 8.448 0.000 0.000 0.000 3/48000 850.0 22.783 22.783 8.347 0.000 0.000 0.000 3/48000 860.0 22.524 22.524 8.248 0.000 0.000 0.000 3/48000 870.0 22.272 22.272 8.151 0.000 0.000 0.000 3/48000 880.0 22.025 22.025 8.057 0.000 0.000 0.000 3/48000 890.0 21.783 21.783 7.965 0.000 0.000 0.000 3/48000 900.0 21.548 21.548 7.875 0.000 0.000 0.000 3/48000 910.0 21.317 21.317 7.787 0.000 0.000 0.000 3/48000 920.0 21.091 21.091 7.701 0.000 0.000 0.000 3/48000 930.0 20.870 20.870 7.617 0.000 0.000 0.000 3/48000 940.0 20.654 20.654 7.534 0.000 0.000 0.000 3/48000 950.0 20.442 20.442 7.454 0.000 0.000 0.000 3/48000 960.0 20.235 20.235 7.375 0.000 0.000 0.000 3/48000 970.0 20.032 20.032 7.298 0.000 0.000 0.000 3/48000 980.0 19.833 19.833 7.223 0.000 0.000 0.000 3/48000 990.0 19.638 19.638 7.149 0.000 0.000 0.000 3/48000 1000.0 19.447 19.447 7.077 0.000 0.000 0.000 3/48000 Thermal conductivity related properties were written into "kappa-m20205.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:08:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|