----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:19:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.833177319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.833177319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.548654510000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 *3 Cl 0.00000000000000 0.50000000000000 0.62715747471403 35.453 4 Cl 0.50000000000000 0.00000000000000 0.37284252528597 35.453 *5 Ho 0.50000000000000 0.00000000000000 0.83076417741443 164.930 6 Ho 0.00000000000000 0.50000000000000 0.16923582258557 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.833177319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.833177319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.548654510000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 2 *3 Cl 0.00000000000000 0.50000000000000 0.62715747471403 35.453 > 3 4 Cl 0.50000000000000 0.00000000000000 0.37284252528597 35.453 > 4 *5 Ho 0.50000000000000 0.00000000000000 0.83076417741443 164.930 > 5 6 Ho 0.00000000000000 0.50000000000000 0.16923582258557 164.930 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.499531959999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499531959999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.097309020000001 Atomic positions (fractional): *1 O 0.16666666666667 0.16666666666667 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.16666666666667 0.00000000000000 15.999 > 1 3 O 0.83333333333333 0.16666666666667 0.00000000000000 15.999 > 1 4 O 0.16666666666667 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 6 O 0.83333333333333 0.50000000000000 0.00000000000000 15.999 > 1 7 O 0.16666666666667 0.83333333333333 0.00000000000000 15.999 > 1 8 O 0.50000000000000 0.83333333333333 0.00000000000000 15.999 > 1 9 O 0.83333333333333 0.83333333333333 0.00000000000000 15.999 > 1 10 O 0.16666666666667 0.16666666666667 0.50000000000000 15.999 > 1 11 O 0.50000000000000 0.16666666666667 0.50000000000000 15.999 > 1 12 O 0.83333333333333 0.16666666666667 0.50000000000000 15.999 > 1 13 O 0.16666666666667 0.50000000000000 0.50000000000000 15.999 > 1 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 15 O 0.83333333333333 0.50000000000000 0.50000000000000 15.999 > 1 16 O 0.16666666666667 0.83333333333333 0.50000000000000 15.999 > 1 17 O 0.50000000000000 0.83333333333333 0.50000000000000 15.999 > 1 18 O 0.83333333333333 0.83333333333333 0.50000000000000 15.999 > 1 19 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 2 20 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 2 21 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 2 22 O 0.00000000000000 0.33333333333333 0.00000000000000 15.999 > 2 23 O 0.33333333333333 0.33333333333333 0.00000000000000 15.999 > 2 24 O 0.66666666666667 0.33333333333333 0.00000000000000 15.999 > 2 25 O 0.00000000000000 0.66666666666667 0.00000000000000 15.999 > 2 26 O 0.33333333333333 0.66666666666667 0.00000000000000 15.999 > 2 27 O 0.66666666666667 0.66666666666667 0.00000000000000 15.999 > 2 28 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 2 29 O 0.33333333333333 0.00000000000000 0.50000000000000 15.999 > 2 30 O 0.66666666666667 0.00000000000000 0.50000000000000 15.999 > 2 31 O 0.00000000000000 0.33333333333333 0.50000000000000 15.999 > 2 32 O 0.33333333333333 0.33333333333333 0.50000000000000 15.999 > 2 33 O 0.66666666666667 0.33333333333333 0.50000000000000 15.999 > 2 34 O 0.00000000000000 0.66666666666667 0.50000000000000 15.999 > 2 35 O 0.33333333333333 0.66666666666667 0.50000000000000 15.999 > 2 36 O 0.66666666666667 0.66666666666667 0.50000000000000 15.999 > 2 *37 Cl 0.00000000000000 0.16666666666667 0.31357873735701 35.453 > 3 38 Cl 0.33333333333333 0.16666666666667 0.31357873735701 35.453 > 3 39 Cl 0.66666666666667 0.16666666666667 0.31357873735701 35.453 > 3 40 Cl 0.00000000000000 0.50000000000000 0.31357873735701 35.453 > 3 41 Cl 0.33333333333333 0.50000000000000 0.31357873735701 35.453 > 3 42 Cl 0.66666666666667 0.50000000000000 0.31357873735701 35.453 > 3 43 Cl 0.00000000000000 0.83333333333333 0.31357873735701 35.453 > 3 44 Cl 0.33333333333333 0.83333333333333 0.31357873735701 35.453 > 3 45 Cl 0.66666666666667 0.83333333333333 0.31357873735701 35.453 > 3 46 Cl 0.00000000000000 0.16666666666667 0.81357873735701 35.453 > 3 47 Cl 0.33333333333333 0.16666666666667 0.81357873735701 35.453 > 3 48 Cl 0.66666666666667 0.16666666666667 0.81357873735701 35.453 > 3 49 Cl 0.00000000000000 0.50000000000000 0.81357873735701 35.453 > 3 50 Cl 0.33333333333333 0.50000000000000 0.81357873735701 35.453 > 3 51 Cl 0.66666666666667 0.50000000000000 0.81357873735701 35.453 > 3 52 Cl 0.00000000000000 0.83333333333333 0.81357873735701 35.453 > 3 53 Cl 0.33333333333333 0.83333333333333 0.81357873735701 35.453 > 3 54 Cl 0.66666666666667 0.83333333333333 0.81357873735701 35.453 > 3 55 Cl 0.16666666666667 0.00000000000000 0.18642126264299 35.453 > 4 56 Cl 0.50000000000000 0.00000000000000 0.18642126264299 35.453 > 4 57 Cl 0.83333333333333 0.00000000000000 0.18642126264299 35.453 > 4 58 Cl 0.16666666666667 0.33333333333333 0.18642126264299 35.453 > 4 59 Cl 0.50000000000000 0.33333333333333 0.18642126264299 35.453 > 4 60 Cl 0.83333333333333 0.33333333333333 0.18642126264299 35.453 > 4 61 Cl 0.16666666666667 0.66666666666667 0.18642126264299 35.453 > 4 62 Cl 0.50000000000000 0.66666666666667 0.18642126264299 35.453 > 4 63 Cl 0.83333333333333 0.66666666666667 0.18642126264299 35.453 > 4 64 Cl 0.16666666666667 0.00000000000000 0.68642126264299 35.453 > 4 65 Cl 0.50000000000000 0.00000000000000 0.68642126264299 35.453 > 4 66 Cl 0.83333333333333 0.00000000000000 0.68642126264299 35.453 > 4 67 Cl 0.16666666666667 0.33333333333333 0.68642126264299 35.453 > 4 68 Cl 0.50000000000000 0.33333333333333 0.68642126264299 35.453 > 4 69 Cl 0.83333333333333 0.33333333333333 0.68642126264299 35.453 > 4 70 Cl 0.16666666666667 0.66666666666667 0.68642126264299 35.453 > 4 71 Cl 0.50000000000000 0.66666666666667 0.68642126264299 35.453 > 4 72 Cl 0.83333333333333 0.66666666666667 0.68642126264299 35.453 > 4 *73 Ho 0.16666666666667 0.00000000000000 0.41538208870722 164.930 > 5 74 Ho 0.50000000000000 0.00000000000000 0.41538208870722 164.930 > 5 75 Ho 0.83333333333333 0.00000000000000 0.41538208870722 164.930 > 5 76 Ho 0.16666666666667 0.33333333333333 0.41538208870722 164.930 > 5 77 Ho 0.50000000000000 0.33333333333333 0.41538208870722 164.930 > 5 78 Ho 0.83333333333333 0.33333333333333 0.41538208870722 164.930 > 5 79 Ho 0.16666666666667 0.66666666666667 0.41538208870722 164.930 > 5 80 Ho 0.50000000000000 0.66666666666667 0.41538208870722 164.930 > 5 81 Ho 0.83333333333333 0.66666666666667 0.41538208870722 164.930 > 5 82 Ho 0.16666666666667 0.00000000000000 0.91538208870722 164.930 > 5 83 Ho 0.50000000000000 0.00000000000000 0.91538208870722 164.930 > 5 84 Ho 0.83333333333333 0.00000000000000 0.91538208870722 164.930 > 5 85 Ho 0.16666666666667 0.33333333333333 0.91538208870722 164.930 > 5 86 Ho 0.50000000000000 0.33333333333333 0.91538208870722 164.930 > 5 87 Ho 0.83333333333333 0.33333333333333 0.91538208870722 164.930 > 5 88 Ho 0.16666666666667 0.66666666666667 0.91538208870722 164.930 > 5 89 Ho 0.50000000000000 0.66666666666667 0.91538208870722 164.930 > 5 90 Ho 0.83333333333333 0.66666666666667 0.91538208870722 164.930 > 5 91 Ho 0.00000000000000 0.16666666666667 0.08461791129278 164.930 > 6 92 Ho 0.33333333333333 0.16666666666667 0.08461791129278 164.930 > 6 93 Ho 0.66666666666667 0.16666666666667 0.08461791129278 164.930 > 6 94 Ho 0.00000000000000 0.50000000000000 0.08461791129278 164.930 > 6 95 Ho 0.33333333333333 0.50000000000000 0.08461791129278 164.930 > 6 96 Ho 0.66666666666667 0.50000000000000 0.08461791129278 164.930 > 6 97 Ho 0.00000000000000 0.83333333333333 0.08461791129278 164.930 > 6 98 Ho 0.33333333333333 0.83333333333333 0.08461791129278 164.930 > 6 99 Ho 0.66666666666667 0.83333333333333 0.08461791129278 164.930 > 6 100 Ho 0.00000000000000 0.16666666666667 0.58461791129278 164.930 > 6 101 Ho 0.33333333333333 0.16666666666667 0.58461791129278 164.930 > 6 102 Ho 0.66666666666667 0.16666666666667 0.58461791129278 164.930 > 6 103 Ho 0.00000000000000 0.50000000000000 0.58461791129278 164.930 > 6 104 Ho 0.33333333333333 0.50000000000000 0.58461791129278 164.930 > 6 105 Ho 0.66666666666667 0.50000000000000 0.58461791129278 164.930 > 6 106 Ho 0.00000000000000 0.83333333333333 0.58461791129278 164.930 > 6 107 Ho 0.33333333333333 0.83333333333333 0.58461791129278 164.930 > 6 108 Ho 0.66666666666667 0.83333333333333 0.58461791129278 164.930 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5340288 0.0000000 0.0000000 0.0000000 4.5340288 0.0000000 0.0000000 0.0000000 4.2782156 -------------------------- Born effective charges -------------------------- 1 O -2.7763555 0.0000000 0.0000000 0.0000000 -2.7763555 0.0000000 0.0000000 0.0000000 -2.1251742 2 O -2.7763555 0.0000000 0.0000000 0.0000000 -2.7763555 0.0000000 0.0000000 0.0000000 -2.1251742 3 Cl -1.3600628 0.0000000 0.0000000 0.0000000 -1.3600628 0.0000000 0.0000000 0.0000000 -1.3915466 4 Cl -1.3600628 0.0000000 0.0000000 0.0000000 -1.3600628 0.0000000 0.0000000 0.0000000 -1.3915466 5 Ho 4.1364183 0.0000000 0.0000000 0.0000000 4.1364183 0.0000000 0.0000000 0.0000000 3.5167208 6 Ho 4.1364183 0.0000000 0.0000000 0.0000000 4.1364183 0.0000000 0.0000000 0.0000000 3.5167208 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 256 Number of blocks in projector: 262 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 24 Use standard eigh solver. Tree of FC basis block matrices: - (256, 250), data: False |-- (24, 24), data: True |-- (64, 61), data: True |-- (72, 72), data: True |-- (96, 93), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.140 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.146 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 256 Number of blocks in projector: 262 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 24 Use standard eigh solver. Tree of FC basis block matrices: - (256, 250), data: False |-- (24, 24), data: True |-- (64, 61), data: True |-- (72, 72), data: True |-- (96, 93), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:19:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:19:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.833177319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.833177319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.548654510000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 3 Cl 0.00000000000000 0.50000000000000 0.62715747471403 35.453 4 Cl 0.50000000000000 0.00000000000000 0.37284252528597 35.453 5 Ho 0.50000000000000 0.00000000000000 0.83076417741443 164.930 6 Ho 0.00000000000000 0.50000000000000 0.16923582258557 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.499531959999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499531959999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.097309020000001 Atomic positions (fractional): 1 O 0.16666666666667 0.16666666666667 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.16666666666667 0.00000000000000 15.999 > 1 3 O 0.83333333333333 0.16666666666667 0.00000000000000 15.999 > 1 4 O 0.16666666666667 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 6 O 0.83333333333333 0.50000000000000 0.00000000000000 15.999 > 1 7 O 0.16666666666667 0.83333333333333 0.00000000000000 15.999 > 1 8 O 0.50000000000000 0.83333333333333 0.00000000000000 15.999 > 1 9 O 0.83333333333333 0.83333333333333 0.00000000000000 15.999 > 1 10 O 0.16666666666667 0.16666666666667 0.50000000000000 15.999 > 1 11 O 0.50000000000000 0.16666666666667 0.50000000000000 15.999 > 1 12 O 0.83333333333333 0.16666666666667 0.50000000000000 15.999 > 1 13 O 0.16666666666667 0.50000000000000 0.50000000000000 15.999 > 1 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 15 O 0.83333333333333 0.50000000000000 0.50000000000000 15.999 > 1 16 O 0.16666666666667 0.83333333333333 0.50000000000000 15.999 > 1 17 O 0.50000000000000 0.83333333333333 0.50000000000000 15.999 > 1 18 O 0.83333333333333 0.83333333333333 0.50000000000000 15.999 > 1 19 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 19 20 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 19 21 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 19 22 O 0.00000000000000 0.33333333333333 0.00000000000000 15.999 > 19 23 O 0.33333333333333 0.33333333333333 0.00000000000000 15.999 > 19 24 O 0.66666666666667 0.33333333333333 0.00000000000000 15.999 > 19 25 O 0.00000000000000 0.66666666666667 0.00000000000000 15.999 > 19 26 O 0.33333333333333 0.66666666666667 0.00000000000000 15.999 > 19 27 O 0.66666666666667 0.66666666666667 0.00000000000000 15.999 > 19 28 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 19 29 O 0.33333333333333 0.00000000000000 0.50000000000000 15.999 > 19 30 O 0.66666666666667 0.00000000000000 0.50000000000000 15.999 > 19 31 O 0.00000000000000 0.33333333333333 0.50000000000000 15.999 > 19 32 O 0.33333333333333 0.33333333333333 0.50000000000000 15.999 > 19 33 O 0.66666666666667 0.33333333333333 0.50000000000000 15.999 > 19 34 O 0.00000000000000 0.66666666666667 0.50000000000000 15.999 > 19 35 O 0.33333333333333 0.66666666666667 0.50000000000000 15.999 > 19 36 O 0.66666666666667 0.66666666666667 0.50000000000000 15.999 > 19 37 Cl 0.00000000000000 0.16666666666667 0.31357873735701 35.453 > 37 38 Cl 0.33333333333333 0.16666666666667 0.31357873735701 35.453 > 37 39 Cl 0.66666666666667 0.16666666666667 0.31357873735701 35.453 > 37 40 Cl 0.00000000000000 0.50000000000000 0.31357873735701 35.453 > 37 41 Cl 0.33333333333333 0.50000000000000 0.31357873735701 35.453 > 37 42 Cl 0.66666666666667 0.50000000000000 0.31357873735701 35.453 > 37 43 Cl 0.00000000000000 0.83333333333333 0.31357873735701 35.453 > 37 44 Cl 0.33333333333333 0.83333333333333 0.31357873735701 35.453 > 37 45 Cl 0.66666666666667 0.83333333333333 0.31357873735701 35.453 > 37 46 Cl 0.00000000000000 0.16666666666667 0.81357873735701 35.453 > 37 47 Cl 0.33333333333333 0.16666666666667 0.81357873735701 35.453 > 37 48 Cl 0.66666666666667 0.16666666666667 0.81357873735701 35.453 > 37 49 Cl 0.00000000000000 0.50000000000000 0.81357873735701 35.453 > 37 50 Cl 0.33333333333333 0.50000000000000 0.81357873735701 35.453 > 37 51 Cl 0.66666666666667 0.50000000000000 0.81357873735701 35.453 > 37 52 Cl 0.00000000000000 0.83333333333333 0.81357873735701 35.453 > 37 53 Cl 0.33333333333333 0.83333333333333 0.81357873735701 35.453 > 37 54 Cl 0.66666666666667 0.83333333333333 0.81357873735701 35.453 > 37 55 Cl 0.16666666666667 0.00000000000000 0.18642126264299 35.453 > 55 56 Cl 0.50000000000000 0.00000000000000 0.18642126264299 35.453 > 55 57 Cl 0.83333333333333 0.00000000000000 0.18642126264299 35.453 > 55 58 Cl 0.16666666666667 0.33333333333333 0.18642126264299 35.453 > 55 59 Cl 0.50000000000000 0.33333333333333 0.18642126264299 35.453 > 55 60 Cl 0.83333333333333 0.33333333333333 0.18642126264299 35.453 > 55 61 Cl 0.16666666666667 0.66666666666667 0.18642126264299 35.453 > 55 62 Cl 0.50000000000000 0.66666666666667 0.18642126264299 35.453 > 55 63 Cl 0.83333333333333 0.66666666666667 0.18642126264299 35.453 > 55 64 Cl 0.16666666666667 0.00000000000000 0.68642126264299 35.453 > 55 65 Cl 0.50000000000000 0.00000000000000 0.68642126264299 35.453 > 55 66 Cl 0.83333333333333 0.00000000000000 0.68642126264299 35.453 > 55 67 Cl 0.16666666666667 0.33333333333333 0.68642126264299 35.453 > 55 68 Cl 0.50000000000000 0.33333333333333 0.68642126264299 35.453 > 55 69 Cl 0.83333333333333 0.33333333333333 0.68642126264299 35.453 > 55 70 Cl 0.16666666666667 0.66666666666667 0.68642126264299 35.453 > 55 71 Cl 0.50000000000000 0.66666666666667 0.68642126264299 35.453 > 55 72 Cl 0.83333333333333 0.66666666666667 0.68642126264299 35.453 > 55 73 Ho 0.16666666666667 0.00000000000000 0.41538208870722 164.930 > 73 74 Ho 0.50000000000000 0.00000000000000 0.41538208870722 164.930 > 73 75 Ho 0.83333333333333 0.00000000000000 0.41538208870722 164.930 > 73 76 Ho 0.16666666666667 0.33333333333333 0.41538208870722 164.930 > 73 77 Ho 0.50000000000000 0.33333333333333 0.41538208870722 164.930 > 73 78 Ho 0.83333333333333 0.33333333333333 0.41538208870722 164.930 > 73 79 Ho 0.16666666666667 0.66666666666667 0.41538208870722 164.930 > 73 80 Ho 0.50000000000000 0.66666666666667 0.41538208870722 164.930 > 73 81 Ho 0.83333333333333 0.66666666666667 0.41538208870722 164.930 > 73 82 Ho 0.16666666666667 0.00000000000000 0.91538208870722 164.930 > 73 83 Ho 0.50000000000000 0.00000000000000 0.91538208870722 164.930 > 73 84 Ho 0.83333333333333 0.00000000000000 0.91538208870722 164.930 > 73 85 Ho 0.16666666666667 0.33333333333333 0.91538208870722 164.930 > 73 86 Ho 0.50000000000000 0.33333333333333 0.91538208870722 164.930 > 73 87 Ho 0.83333333333333 0.33333333333333 0.91538208870722 164.930 > 73 88 Ho 0.16666666666667 0.66666666666667 0.91538208870722 164.930 > 73 89 Ho 0.50000000000000 0.66666666666667 0.91538208870722 164.930 > 73 90 Ho 0.83333333333333 0.66666666666667 0.91538208870722 164.930 > 73 91 Ho 0.00000000000000 0.16666666666667 0.08461791129278 164.930 > 91 92 Ho 0.33333333333333 0.16666666666667 0.08461791129278 164.930 > 91 93 Ho 0.66666666666667 0.16666666666667 0.08461791129278 164.930 > 91 94 Ho 0.00000000000000 0.50000000000000 0.08461791129278 164.930 > 91 95 Ho 0.33333333333333 0.50000000000000 0.08461791129278 164.930 > 91 96 Ho 0.66666666666667 0.50000000000000 0.08461791129278 164.930 > 91 97 Ho 0.00000000000000 0.83333333333333 0.08461791129278 164.930 > 91 98 Ho 0.33333333333333 0.83333333333333 0.08461791129278 164.930 > 91 99 Ho 0.66666666666667 0.83333333333333 0.08461791129278 164.930 > 91 100 Ho 0.00000000000000 0.16666666666667 0.58461791129278 164.930 > 91 101 Ho 0.33333333333333 0.16666666666667 0.58461791129278 164.930 > 91 102 Ho 0.66666666666667 0.16666666666667 0.58461791129278 164.930 > 91 103 Ho 0.00000000000000 0.50000000000000 0.58461791129278 164.930 > 91 104 Ho 0.33333333333333 0.50000000000000 0.58461791129278 164.930 > 91 105 Ho 0.66666666666667 0.50000000000000 0.58461791129278 164.930 > 91 106 Ho 0.00000000000000 0.83333333333333 0.58461791129278 164.930 > 91 107 Ho 0.33333333333333 0.83333333333333 0.58461791129278 164.930 > 91 108 Ho 0.66666666666667 0.83333333333333 0.58461791129278 164.930 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5340288 0.0000000 0.0000000 0.0000000 4.5340288 0.0000000 0.0000000 0.0000000 4.2782156 -------------------------- Born effective charges -------------------------- 1 O -2.7763555 0.0000000 0.0000000 0.0000000 -2.7763555 0.0000000 0.0000000 0.0000000 -2.1251742 2 O -2.7763555 0.0000000 0.0000000 0.0000000 -2.7763555 0.0000000 0.0000000 0.0000000 -2.1251742 3 Cl -1.3600628 0.0000000 0.0000000 0.0000000 -1.3600628 0.0000000 0.0000000 0.0000000 -1.3915466 4 Cl -1.3600628 0.0000000 0.0000000 0.0000000 -1.3600628 0.0000000 0.0000000 0.0000000 -1.3915466 5 Ho 4.1364183 0.0000000 0.0000000 0.0000000 4.1364183 0.0000000 0.0000000 0.0000000 3.5167208 6 Ho 4.1364183 0.0000000 0.0000000 0.0000000 4.1364183 0.0000000 0.0000000 0.0000000 3.5167208 ---------------------------------------------------------------------------- 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[ 37, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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 2026-01-08 08:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:19:28]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.833177319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.833177319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.548654510000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 3 Cl 0.00000000000000 0.50000000000000 0.62715747471403 35.453 4 Cl 0.50000000000000 0.00000000000000 0.37284252528597 35.453 5 Ho 0.50000000000000 0.00000000000000 0.83076417741443 164.930 6 Ho 0.00000000000000 0.50000000000000 0.16923582258557 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.499531959999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499531959999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.097309020000001 Atomic positions (fractional): 1 O 0.16666666666667 0.16666666666667 0.00000000000000 15.999 > 1 2 O 0.50000000000000 0.16666666666667 0.00000000000000 15.999 > 1 3 O 0.83333333333333 0.16666666666667 0.00000000000000 15.999 > 1 4 O 0.16666666666667 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 1 6 O 0.83333333333333 0.50000000000000 0.00000000000000 15.999 > 1 7 O 0.16666666666667 0.83333333333333 0.00000000000000 15.999 > 1 8 O 0.50000000000000 0.83333333333333 0.00000000000000 15.999 > 1 9 O 0.83333333333333 0.83333333333333 0.00000000000000 15.999 > 1 10 O 0.16666666666667 0.16666666666667 0.50000000000000 15.999 > 1 11 O 0.50000000000000 0.16666666666667 0.50000000000000 15.999 > 1 12 O 0.83333333333333 0.16666666666667 0.50000000000000 15.999 > 1 13 O 0.16666666666667 0.50000000000000 0.50000000000000 15.999 > 1 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 15 O 0.83333333333333 0.50000000000000 0.50000000000000 15.999 > 1 16 O 0.16666666666667 0.83333333333333 0.50000000000000 15.999 > 1 17 O 0.50000000000000 0.83333333333333 0.50000000000000 15.999 > 1 18 O 0.83333333333333 0.83333333333333 0.50000000000000 15.999 > 1 19 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 19 20 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 19 21 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 19 22 O 0.00000000000000 0.33333333333333 0.00000000000000 15.999 > 19 23 O 0.33333333333333 0.33333333333333 0.00000000000000 15.999 > 19 24 O 0.66666666666667 0.33333333333333 0.00000000000000 15.999 > 19 25 O 0.00000000000000 0.66666666666667 0.00000000000000 15.999 > 19 26 O 0.33333333333333 0.66666666666667 0.00000000000000 15.999 > 19 27 O 0.66666666666667 0.66666666666667 0.00000000000000 15.999 > 19 28 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 19 29 O 0.33333333333333 0.00000000000000 0.50000000000000 15.999 > 19 30 O 0.66666666666667 0.00000000000000 0.50000000000000 15.999 > 19 31 O 0.00000000000000 0.33333333333333 0.50000000000000 15.999 > 19 32 O 0.33333333333333 0.33333333333333 0.50000000000000 15.999 > 19 33 O 0.66666666666667 0.33333333333333 0.50000000000000 15.999 > 19 34 O 0.00000000000000 0.66666666666667 0.50000000000000 15.999 > 19 35 O 0.33333333333333 0.66666666666667 0.50000000000000 15.999 > 19 36 O 0.66666666666667 0.66666666666667 0.50000000000000 15.999 > 19 37 Cl 0.00000000000000 0.16666666666667 0.31357873735701 35.453 > 37 38 Cl 0.33333333333333 0.16666666666667 0.31357873735701 35.453 > 37 39 Cl 0.66666666666667 0.16666666666667 0.31357873735701 35.453 > 37 40 Cl 0.00000000000000 0.50000000000000 0.31357873735701 35.453 > 37 41 Cl 0.33333333333333 0.50000000000000 0.31357873735701 35.453 > 37 42 Cl 0.66666666666667 0.50000000000000 0.31357873735701 35.453 > 37 43 Cl 0.00000000000000 0.83333333333333 0.31357873735701 35.453 > 37 44 Cl 0.33333333333333 0.83333333333333 0.31357873735701 35.453 > 37 45 Cl 0.66666666666667 0.83333333333333 0.31357873735701 35.453 > 37 46 Cl 0.00000000000000 0.16666666666667 0.81357873735701 35.453 > 37 47 Cl 0.33333333333333 0.16666666666667 0.81357873735701 35.453 > 37 48 Cl 0.66666666666667 0.16666666666667 0.81357873735701 35.453 > 37 49 Cl 0.00000000000000 0.50000000000000 0.81357873735701 35.453 > 37 50 Cl 0.33333333333333 0.50000000000000 0.81357873735701 35.453 > 37 51 Cl 0.66666666666667 0.50000000000000 0.81357873735701 35.453 > 37 52 Cl 0.00000000000000 0.83333333333333 0.81357873735701 35.453 > 37 53 Cl 0.33333333333333 0.83333333333333 0.81357873735701 35.453 > 37 54 Cl 0.66666666666667 0.83333333333333 0.81357873735701 35.453 > 37 55 Cl 0.16666666666667 0.00000000000000 0.18642126264299 35.453 > 55 56 Cl 0.50000000000000 0.00000000000000 0.18642126264299 35.453 > 55 57 Cl 0.83333333333333 0.00000000000000 0.18642126264299 35.453 > 55 58 Cl 0.16666666666667 0.33333333333333 0.18642126264299 35.453 > 55 59 Cl 0.50000000000000 0.33333333333333 0.18642126264299 35.453 > 55 60 Cl 0.83333333333333 0.33333333333333 0.18642126264299 35.453 > 55 61 Cl 0.16666666666667 0.66666666666667 0.18642126264299 35.453 > 55 62 Cl 0.50000000000000 0.66666666666667 0.18642126264299 35.453 > 55 63 Cl 0.83333333333333 0.66666666666667 0.18642126264299 35.453 > 55 64 Cl 0.16666666666667 0.00000000000000 0.68642126264299 35.453 > 55 65 Cl 0.50000000000000 0.00000000000000 0.68642126264299 35.453 > 55 66 Cl 0.83333333333333 0.00000000000000 0.68642126264299 35.453 > 55 67 Cl 0.16666666666667 0.33333333333333 0.68642126264299 35.453 > 55 68 Cl 0.50000000000000 0.33333333333333 0.68642126264299 35.453 > 55 69 Cl 0.83333333333333 0.33333333333333 0.68642126264299 35.453 > 55 70 Cl 0.16666666666667 0.66666666666667 0.68642126264299 35.453 > 55 71 Cl 0.50000000000000 0.66666666666667 0.68642126264299 35.453 > 55 72 Cl 0.83333333333333 0.66666666666667 0.68642126264299 35.453 > 55 73 Ho 0.16666666666667 0.00000000000000 0.41538208870722 164.930 > 73 74 Ho 0.50000000000000 0.00000000000000 0.41538208870722 164.930 > 73 75 Ho 0.83333333333333 0.00000000000000 0.41538208870722 164.930 > 73 76 Ho 0.16666666666667 0.33333333333333 0.41538208870722 164.930 > 73 77 Ho 0.50000000000000 0.33333333333333 0.41538208870722 164.930 > 73 78 Ho 0.83333333333333 0.33333333333333 0.41538208870722 164.930 > 73 79 Ho 0.16666666666667 0.66666666666667 0.41538208870722 164.930 > 73 80 Ho 0.50000000000000 0.66666666666667 0.41538208870722 164.930 > 73 81 Ho 0.83333333333333 0.66666666666667 0.41538208870722 164.930 > 73 82 Ho 0.16666666666667 0.00000000000000 0.91538208870722 164.930 > 73 83 Ho 0.50000000000000 0.00000000000000 0.91538208870722 164.930 > 73 84 Ho 0.83333333333333 0.00000000000000 0.91538208870722 164.930 > 73 85 Ho 0.16666666666667 0.33333333333333 0.91538208870722 164.930 > 73 86 Ho 0.50000000000000 0.33333333333333 0.91538208870722 164.930 > 73 87 Ho 0.83333333333333 0.33333333333333 0.91538208870722 164.930 > 73 88 Ho 0.16666666666667 0.66666666666667 0.91538208870722 164.930 > 73 89 Ho 0.50000000000000 0.66666666666667 0.91538208870722 164.930 > 73 90 Ho 0.83333333333333 0.66666666666667 0.91538208870722 164.930 > 73 91 Ho 0.00000000000000 0.16666666666667 0.08461791129278 164.930 > 91 92 Ho 0.33333333333333 0.16666666666667 0.08461791129278 164.930 > 91 93 Ho 0.66666666666667 0.16666666666667 0.08461791129278 164.930 > 91 94 Ho 0.00000000000000 0.50000000000000 0.08461791129278 164.930 > 91 95 Ho 0.33333333333333 0.50000000000000 0.08461791129278 164.930 > 91 96 Ho 0.66666666666667 0.50000000000000 0.08461791129278 164.930 > 91 97 Ho 0.00000000000000 0.83333333333333 0.08461791129278 164.930 > 91 98 Ho 0.33333333333333 0.83333333333333 0.08461791129278 164.930 > 91 99 Ho 0.66666666666667 0.83333333333333 0.08461791129278 164.930 > 91 100 Ho 0.00000000000000 0.16666666666667 0.58461791129278 164.930 > 91 101 Ho 0.33333333333333 0.16666666666667 0.58461791129278 164.930 > 91 102 Ho 0.66666666666667 0.16666666666667 0.58461791129278 164.930 > 91 103 Ho 0.00000000000000 0.50000000000000 0.58461791129278 164.930 > 91 104 Ho 0.33333333333333 0.50000000000000 0.58461791129278 164.930 > 91 105 Ho 0.66666666666667 0.50000000000000 0.58461791129278 164.930 > 91 106 Ho 0.00000000000000 0.83333333333333 0.58461791129278 164.930 > 91 107 Ho 0.33333333333333 0.83333333333333 0.58461791129278 164.930 > 91 108 Ho 0.66666666666667 0.83333333333333 0.58461791129278 164.930 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5340288 0.0000000 0.0000000 0.0000000 4.5340288 0.0000000 0.0000000 0.0000000 4.2782156 -------------------------- Born effective charges -------------------------- 1 O -2.7763555 0.0000000 0.0000000 0.0000000 -2.7763555 0.0000000 0.0000000 0.0000000 -2.1251742 2 O -2.7763555 0.0000000 0.0000000 0.0000000 -2.7763555 0.0000000 0.0000000 0.0000000 -2.1251742 3 Cl -1.3600628 0.0000000 0.0000000 0.0000000 -1.3600628 0.0000000 0.0000000 0.0000000 -1.3915466 4 Cl -1.3600628 0.0000000 0.0000000 0.0000000 -1.3600628 0.0000000 0.0000000 0.0000000 -1.3915466 5 Ho 4.1364183 0.0000000 0.0000000 0.0000000 4.1364183 0.0000000 0.0000000 0.0000000 3.5167208 6 Ho 4.1364183 0.0000000 0.0000000 0.0000000 4.1364183 0.0000000 0.0000000 0.0000000 3.5167208 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 13 13 8 ] 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: 0.91, Number of G-points: 295, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 140 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 2.899 ( -0.000 0.000 0.000) 0.000 2.899 ( -0.000 0.000 0.000) 0.000 3.485 ( -0.000 0.000 -0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 -0.000 -0.000) 0.000 5.980 ( -0.000 0.000 -0.000) 0.000 5.980 ( 0.000 -0.000 -0.000) 0.000 7.013 ( 0.000 -0.000 0.000) 0.000 11.323 ( 0.000 -0.000 0.000) 0.000 11.323 ( 0.000 -0.000 0.000) 0.000 11.864 ( -0.000 0.000 -0.000) 0.000 15.239 ( 0.000 0.000 0.000) 0.000 16.069 ( -0.000 0.000 0.000) 0.000 16.069 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 20.952 0.000 0.000) 20.952 0.623 ( 30.481 0.000 0.000) 30.481 0.969 ( 47.118 0.000 0.000) 47.118 2.967 ( 6.599 0.000 0.000) 6.599 3.475 ( -0.993 0.000 0.000) 0.993 3.637 ( 14.331 0.000 0.000) 14.331 4.190 ( -4.102 0.000 0.000) 4.102 4.754 ( -3.060 0.000 0.000) 3.060 5.278 ( -1.997 0.000 0.000) 1.997 5.945 ( -3.506 0.000 0.000) 3.506 6.002 ( 2.097 0.000 0.000) 2.097 7.005 ( -0.850 0.000 0.000) 0.850 11.415 ( 9.136 0.000 0.000) 9.136 11.854 ( -0.922 0.000 0.000) 0.922 15.058 ( -16.234 0.000 0.000) 16.234 15.764 ( 1.611 0.000 0.000) 1.611 16.019 ( -5.042 0.000 0.000) 5.042 16.159 ( 7.187 0.000 0.000) 7.187 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 24.855 0.000 0.000) 24.855 1.213 ( 28.098 0.000 0.000) 28.098 1.865 ( 41.465 0.000 0.000) 41.465 3.154 ( 11.804 0.000 0.000) 11.804 3.445 ( -2.040 0.000 0.000) 2.040 4.011 ( 21.433 0.000 0.000) 21.433 4.087 ( -5.674 0.000 0.000) 5.674 4.674 ( -4.490 0.000 0.000) 4.490 5.224 ( -3.164 0.000 0.000) 3.164 5.840 ( -6.900 0.000 0.000) 6.900 6.058 ( 3.371 0.000 0.000) 3.371 6.978 ( -1.880 0.000 0.000) 1.880 11.683 ( 17.289 0.000 0.000) 17.289 11.833 ( -0.896 0.000 0.000) 0.896 14.651 ( -23.311 0.000 0.000) 23.311 15.807 ( 2.642 0.000 0.000) 2.642 15.867 ( -10.017 0.000 0.000) 10.017 16.300 ( 6.059 0.000 0.000) 6.059 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 26.513 0.000 0.000) 26.513 1.743 ( 24.577 0.000 0.000) 24.577 2.602 ( 31.130 0.000 0.000) 31.130 3.393 ( -3.218 0.000 0.000) 3.218 3.428 ( 15.201 0.000 0.000) 15.201 3.980 ( -4.820 0.000 0.000) 4.820 4.391 ( 9.529 0.000 0.000) 9.529 4.642 ( 7.363 0.000 0.000) 7.363 5.173 ( -1.115 0.000 0.000) 1.115 5.669 ( -10.072 0.000 0.000) 10.072 6.133 ( 3.989 0.000 0.000) 3.989 6.927 ( -3.343 0.000 0.000) 3.343 11.829 ( 0.796 0.000 0.000) 0.796 12.097 ( 23.631 0.000 0.000) 23.631 14.149 ( -26.247 0.000 0.000) 26.247 15.618 ( -14.841 0.000 0.000) 14.841 15.866 ( 3.151 0.000 0.000) 3.151 16.386 ( 2.424 0.000 0.000) 2.424 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 25.866 0.000 0.000) 25.866 2.195 ( 20.368 0.000 0.000) 20.368 3.091 ( 17.342 0.000 0.000) 17.342 3.314 ( -4.645 0.000 0.000) 4.645 3.755 ( 17.168 0.000 0.000) 17.168 3.891 ( -4.195 0.000 0.000) 4.195 4.358 ( -6.150 0.000 0.000) 6.150 4.977 ( 18.731 0.000 0.000) 18.731 5.208 ( 4.941 0.000 0.000) 4.941 5.438 ( -12.913 0.000 0.000) 12.913 6.218 ( 4.598 0.000 0.000) 4.598 6.842 ( -5.141 0.000 0.000) 5.141 11.878 ( 4.428 0.000 0.000) 4.428 12.615 ( 27.662 0.000 0.000) 27.662 13.615 ( -26.593 0.000 0.000) 26.593 15.274 ( -19.385 0.000 0.000) 19.385 15.934 ( 3.687 0.000 0.000) 3.687 16.396 ( -1.392 0.000 0.000) 1.392 ======================= Grid point 5 (6/140) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 23.435 0.000 0.000) 23.435 2.560 ( 16.019 0.000 0.000) 16.019 3.204 ( -6.483 0.000 0.000) 6.483 3.287 ( 1.577 0.000 0.000) 1.577 3.831 ( -0.342 0.000 0.000) 0.342 4.110 ( 18.086 0.000 0.000) 18.086 4.217 ( -7.584 0.000 0.000) 7.584 5.154 ( -15.295 0.000 0.000) 15.295 5.300 ( 12.795 0.000 0.000) 12.795 5.351 ( 8.063 0.000 0.000) 8.063 6.320 ( 5.558 0.000 0.000) 5.558 6.722 ( -6.645 0.000 0.000) 6.645 12.018 ( 9.650 0.000 0.000) 9.650 13.097 ( -24.706 0.000 0.000) 24.706 13.191 ( 29.308 0.000 0.000) 29.308 14.843 ( -23.448 0.000 0.000) 23.448 16.017 ( 4.598 0.000 0.000) 4.598 16.337 ( -4.301 0.000 0.000) 4.301 ======================= Grid point 6 (7/140) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 19.477 0.000 0.000) 19.477 2.841 ( 12.095 0.000 0.000) 12.095 3.050 ( -8.915 0.000 0.000) 8.915 3.159 ( -12.797 0.000 0.000) 12.797 3.904 ( 6.696 0.000 0.000) 6.696 4.059 ( -8.100 0.000 0.000) 8.100 4.474 ( 18.040 0.000 0.000) 18.040 4.828 ( -17.064 0.000 0.000) 17.064 5.475 ( 4.464 0.000 0.000) 4.464 5.480 ( 3.730 0.000 0.000) 3.730 6.442 ( 6.613 0.000 0.000) 6.613 6.582 ( -7.159 0.000 0.000) 7.159 12.270 ( 15.516 0.000 0.000) 15.516 12.637 ( -20.845 0.000 0.000) 20.845 13.778 ( 28.847 0.000 0.000) 28.847 14.338 ( -26.736 0.000 0.000) 26.736 16.119 ( 5.544 0.000 0.000) 5.544 16.234 ( -5.676 0.000 0.000) 5.676 ======================= Grid point 14 (8/140) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 15.374 15.374 0.000) 21.742 0.799 ( 19.524 19.524 0.000) 27.612 1.388 ( 32.239 32.239 0.000) 45.593 2.847 ( -2.446 -2.446 0.000) 3.460 3.600 ( 5.064 5.064 0.000) 7.161 3.650 ( 7.891 7.891 0.000) 11.160 4.316 ( 3.718 3.718 0.000) 5.258 4.717 ( -3.611 -3.611 0.000) 5.107 5.264 ( -1.372 -1.372 0.000) 1.940 5.922 ( -2.676 -2.676 0.000) 3.785 6.017 ( 1.833 1.833 0.000) 2.592 7.000 ( -0.551 -0.551 0.000) 0.779 11.270 ( -2.510 -2.510 0.000) 3.549 11.842 ( -1.121 -1.121 0.000) 1.585 14.914 ( -13.650 -13.650 0.000) 19.304 15.865 ( -10.234 -10.234 0.000) 14.473 15.934 ( 8.987 8.987 0.000) 12.709 16.313 ( 9.689 9.689 0.000) 13.703 ======================= Grid point 15 (9/140) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 22.787 9.985 0.000) 24.878 1.283 ( 26.064 8.234 0.000) 27.334 2.077 ( 34.378 18.714 0.000) 39.141 2.915 ( 7.673 -15.156 0.000) 16.987 3.581 ( -2.479 12.443 0.000) 12.687 4.003 ( 21.244 -0.469 0.000) 21.249 4.306 ( -3.043 13.334 0.000) 13.677 4.621 ( -5.493 -5.122 0.000) 7.511 5.227 ( -2.031 0.596 0.000) 2.117 5.835 ( -5.882 -0.800 0.000) 5.936 6.072 ( 3.403 1.520 0.000) 3.727 6.980 ( -1.461 0.176 0.000) 1.471 11.395 ( 13.170 -20.144 0.000) 24.067 11.817 ( -1.091 -1.601 0.000) 1.938 14.548 ( -21.923 -10.187 0.000) 24.174 15.634 ( -13.020 -17.678 0.000) 21.955 16.066 ( 5.071 19.613 0.000) 20.258 16.490 ( 7.503 13.395 0.000) 15.353 ======================= Grid point 16 (10/140) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 25.375 7.067 0.000) 26.340 1.794 ( 24.316 5.251 0.000) 24.876 2.707 ( 27.178 9.825 0.000) 28.899 3.115 ( 11.682 -20.879 0.000) 23.925 3.517 ( -3.909 11.473 0.000) 12.121 4.241 ( -2.705 15.916 0.000) 16.144 4.362 ( 5.498 -2.896 0.000) 6.214 4.582 ( 9.887 -5.284 0.000) 11.211 5.202 ( 0.157 3.151 0.000) 3.155 5.689 ( -8.512 1.608 0.000) 8.662 6.147 ( 4.005 1.516 0.000) 4.283 6.937 ( -3.003 0.939 0.000) 3.146 11.726 ( 14.514 -23.020 0.000) 27.214 11.833 ( 7.562 -7.438 0.000) 10.607 14.065 ( -25.648 -8.380 0.000) 26.982 15.333 ( -17.080 -23.042 0.000) 28.682 16.158 ( 4.273 24.195 0.000) 24.570 16.606 ( 3.905 16.625 0.000) 17.077 ======================= Grid point 17 (11/140) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 24.934 5.048 0.000) 25.440 2.246 ( 20.500 4.852 0.000) 21.066 3.134 ( 15.373 2.974 0.000) 15.658 3.352 ( 10.466 -21.437 0.000) 23.856 3.423 ( -5.404 10.109 0.000) 11.462 4.225 ( 2.030 16.163 0.000) 16.290 4.273 ( -7.864 -8.076 0.000) 11.273 4.935 ( 17.844 -3.201 0.000) 18.129 5.255 ( 5.270 4.693 0.000) 7.056 5.500 ( -9.969 5.108 0.000) 11.201 6.233 ( 4.564 1.462 0.000) 4.793 6.857 ( -4.975 1.445 0.000) 5.181 11.830 ( 4.295 -5.446 0.000) 6.936 12.257 ( 26.088 -29.872 0.000) 39.660 13.539 ( -26.267 -7.514 0.000) 27.320 14.948 ( -21.303 -27.224 0.000) 34.568 16.243 ( 4.335 26.263 0.000) 26.619 16.646 ( 0.154 19.743 0.000) 19.744 ======================= Grid point 18 (12/140) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 22.378 3.110 0.000) 22.593 2.613 ( 16.115 5.038 0.000) 16.884 3.299 ( -7.051 8.810 0.000) 11.284 3.316 ( 0.803 2.809 0.000) 2.922 3.510 ( 7.677 -21.698 0.000) 23.016 4.100 ( -9.184 -10.717 0.000) 14.114 4.355 ( 10.805 14.552 0.000) 18.125 5.138 ( -3.653 -0.908 0.000) 3.764 5.377 ( 3.338 6.420 0.000) 7.236 5.392 ( 7.352 3.999 0.000) 8.369 6.334 ( 5.544 1.375 0.000) 5.712 6.739 ( -6.646 1.611 0.000) 6.838 11.964 ( 9.344 -5.465 0.000) 10.825 12.809 ( 28.484 -32.846 0.000) 43.476 13.027 ( -24.441 -6.943 0.000) 25.408 14.482 ( -24.944 -30.601 0.000) 39.479 16.335 ( 4.813 27.017 0.000) 27.443 16.616 ( -2.913 22.680 0.000) 22.867 ======================= Grid point 19 (13/140) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 17.163 0.668 0.000) 17.176 2.890 ( 10.945 4.470 0.000) 11.823 3.143 ( -7.995 8.223 0.000) 11.468 3.184 ( -11.193 2.186 0.000) 11.404 3.700 ( 10.348 -16.135 0.000) 19.168 3.907 ( -10.059 -13.203 0.000) 16.598 4.621 ( 14.728 11.140 0.000) 18.466 4.917 ( -14.119 7.230 0.000) 15.863 5.497 ( 4.175 2.152 0.000) 4.697 5.506 ( 3.116 2.578 0.000) 4.044 6.456 ( 6.671 1.392 0.000) 6.815 6.598 ( -7.243 1.528 0.000) 7.402 12.211 ( 15.235 -5.931 0.000) 16.349 12.572 ( -20.582 -6.431 0.000) 21.563 13.386 ( 28.788 -33.741 0.000) 44.353 13.954 ( -27.532 -32.915 0.000) 42.912 16.436 ( 5.192 26.622 0.000) 27.124 16.537 ( -4.723 25.102 0.000) 25.543 ======================= Grid point 28 (14/140) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 18.267 18.267 0.000) 25.834 1.555 ( 17.962 17.962 0.000) 25.403 2.521 ( 23.728 23.728 0.000) 33.556 2.720 ( -3.662 -3.662 0.000) 5.178 3.816 ( 4.693 4.693 0.000) 6.638 4.075 ( 12.621 12.621 0.000) 17.848 4.467 ( 2.772 2.772 0.000) 3.920 4.483 ( -8.105 -8.105 0.000) 11.462 5.253 ( 1.909 1.909 0.000) 2.699 5.797 ( -3.057 -3.057 0.000) 4.323 6.121 ( 3.221 3.221 0.000) 4.556 6.980 ( -0.363 -0.363 0.000) 0.513 11.128 ( -4.502 -4.502 0.000) 6.367 11.778 ( -1.940 -1.940 0.000) 2.744 14.253 ( -18.820 -18.820 0.000) 26.616 15.246 ( -20.518 -20.518 0.000) 29.017 16.421 ( 14.541 14.541 0.000) 20.564 16.746 ( 11.467 11.467 0.000) 16.217 ======================= Grid point 29 (15/140) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 22.121 13.884 0.000) 26.117 1.957 ( 21.146 10.840 0.000) 23.762 2.741 ( 5.177 -12.752 0.000) 13.763 2.978 ( 20.378 13.910 0.000) 24.673 3.784 ( -4.721 12.470 0.000) 13.334 4.267 ( -7.954 -6.780 0.000) 10.451 4.469 ( -0.972 6.737 0.000) 6.807 4.490 ( 19.344 -1.577 0.000) 19.408 5.303 ( 3.159 6.436 0.000) 7.169 5.715 ( -5.017 0.581 0.000) 5.051 6.194 ( 3.917 3.068 0.000) 4.975 6.958 ( -2.054 0.940 0.000) 2.259 11.200 ( 10.315 -22.132 0.000) 24.418 11.755 ( 0.225 -3.476 0.000) 3.483 13.817 ( -23.965 -16.153 0.000) 28.901 14.811 ( -22.962 -27.850 0.000) 36.096 16.655 ( 9.268 22.862 0.000) 24.669 16.940 ( 7.753 15.679 0.000) 17.491 ======================= Grid point 30 (16/140) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 22.085 10.025 0.000) 24.254 2.372 ( 19.620 6.776 0.000) 20.757 2.892 ( 9.148 -17.518 0.000) 19.763 3.296 ( 10.421 7.264 0.000) 12.703 3.665 ( -6.940 11.890 0.000) 13.767 4.064 ( -10.919 -11.591 0.000) 15.924 4.482 ( 3.325 9.996 0.000) 10.535 4.885 ( 17.651 -1.062 0.000) 17.683 5.387 ( 5.228 7.829 0.000) 9.414 5.603 ( -5.772 4.620 0.000) 7.393 6.277 ( 4.358 2.829 0.000) 5.196 6.893 ( -4.460 1.914 0.000) 4.854 11.481 ( 15.826 -29.859 0.000) 33.794 11.819 ( 7.554 -9.028 0.000) 11.772 13.316 ( -25.309 -14.560 0.000) 29.198 14.321 ( -25.929 -33.623 0.000) 42.459 16.810 ( 6.530 27.475 0.000) 28.240 17.056 ( 3.851 19.751 0.000) 20.123 ======================= Grid point 31 (17/140) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 19.210 5.970 0.000) 20.117 2.730 ( 15.773 4.340 0.000) 16.359 3.082 ( 9.064 -18.018 0.000) 20.170 3.393 ( 0.308 4.378 0.000) 4.388 3.511 ( -8.293 10.687 0.000) 13.527 3.839 ( -11.390 -13.735 0.000) 17.843 4.620 ( 10.019 12.107 0.000) 15.715 5.134 ( 5.047 0.751 0.000) 5.103 5.500 ( 5.413 6.270 0.000) 8.283 5.516 ( -1.240 6.833 0.000) 6.945 6.373 ( 5.378 2.479 0.000) 5.922 6.781 ( -6.563 2.352 0.000) 6.972 11.760 ( 12.129 -18.185 0.000) 21.859 12.119 ( 21.770 -28.928 0.000) 36.205 12.821 ( -23.690 -13.492 0.000) 27.263 13.775 ( -28.305 -37.791 0.000) 47.215 16.925 ( 5.074 29.169 0.000) 29.607 17.097 ( 0.405 23.507 0.000) 23.511 ======================= Grid point 32 (18/140) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 13.341 0.764 0.000) 13.363 2.968 ( 5.127 -0.471 0.000) 5.148 3.202 ( 3.000 -1.842 0.000) 3.521 3.336 ( -8.935 9.716 0.000) 13.200 3.423 ( 6.172 -5.755 0.000) 8.439 3.612 ( -10.991 -13.918 0.000) 17.734 4.851 ( 12.078 11.374 0.000) 16.591 5.071 ( -8.887 7.783 0.000) 11.813 5.559 ( 3.092 3.977 0.000) 5.037 5.577 ( 1.708 4.243 0.000) 4.574 6.495 ( 6.724 2.302 0.000) 7.108 6.638 ( -7.384 2.368 0.000) 7.754 12.026 ( 15.209 -13.047 0.000) 20.038 12.380 ( -19.995 -12.741 0.000) 23.710 12.624 ( 27.493 -38.405 0.000) 47.231 13.196 ( -29.042 -39.875 0.000) 49.330 17.016 ( 3.882 28.704 0.000) 28.965 17.078 ( -2.189 26.643 0.000) 26.733 ======================= Grid point 42 (19/140) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 17.636 17.636 0.000) 24.942 2.201 ( 12.121 12.121 0.000) 17.142 2.601 ( -0.078 -0.078 0.000) 0.110 3.257 ( 12.401 12.401 0.000) 17.538 3.883 ( -3.820 -3.820 0.000) 5.402 4.113 ( -7.779 -7.779 0.000) 11.000 4.558 ( 3.661 3.661 0.000) 5.177 4.608 ( 13.303 13.303 0.000) 18.813 5.433 ( 6.071 6.071 0.000) 8.586 5.709 ( -1.037 -1.037 0.000) 1.467 6.264 ( 3.730 3.730 0.000) 5.275 6.963 ( -0.687 -0.687 0.000) 0.972 10.918 ( -5.697 -5.697 0.000) 8.057 11.694 ( -2.274 -2.274 0.000) 3.216 13.430 ( -21.832 -21.832 0.000) 30.875 14.235 ( -29.408 -29.408 0.000) 41.589 17.041 ( 15.632 15.632 0.000) 22.107 17.218 ( 11.875 11.875 0.000) 16.794 ======================= Grid point 43 (20/140) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 17.210 12.256 0.000) 21.128 2.397 ( 7.882 -6.724 0.000) 10.360 2.748 ( 12.958 6.056 0.000) 14.303 3.438 ( 5.249 6.022 0.000) 7.988 3.718 ( -10.357 -9.725 0.000) 14.207 3.950 ( -8.768 2.614 0.000) 9.150 4.665 ( 7.564 9.131 0.000) 11.857 4.924 ( 15.891 5.638 0.000) 16.862 5.542 ( 4.872 7.114 0.000) 8.623 5.678 ( -1.908 2.918 0.000) 3.487 6.340 ( 3.917 3.346 0.000) 5.152 6.922 ( -3.525 0.660 0.000) 3.587 10.953 ( 8.369 -20.131 0.000) 21.801 11.680 ( 1.308 -5.988 0.000) 6.129 12.965 ( -23.890 -20.052 0.000) 31.190 13.633 ( -30.557 -34.451 0.000) 46.050 17.294 ( 9.912 20.323 0.000) 22.611 17.414 ( 7.652 15.667 0.000) 17.436 ======================= Grid point 44 (21/140) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 8.610 -17.099 0.000) 19.144 2.635 ( 12.359 4.406 0.000) 13.121 3.030 ( 13.787 8.944 0.000) 16.434 3.478 ( -0.646 3.725 0.000) 3.781 3.515 ( -9.210 -10.399 0.000) 13.891 3.762 ( -9.792 6.578 0.000) 11.796 4.858 ( 11.101 11.973 0.000) 16.327 5.183 ( 8.584 4.443 0.000) 9.666 5.627 ( 3.447 6.133 0.000) 7.035 5.643 ( -1.122 5.794 0.000) 5.902 6.427 ( 4.880 2.672 0.000) 5.564 6.823 ( -6.196 1.538 0.000) 6.384 11.223 ( 17.762 -28.270 0.000) 33.387 11.762 ( 7.246 -11.887 0.000) 13.922 12.494 ( -22.724 -18.768 0.000) 29.472 13.016 ( -30.633 -37.098 0.000) 48.111 17.450 ( 5.946 22.626 0.000) 23.395 17.527 ( 3.678 18.930 0.000) 19.284 ======================= Grid point 45 (22/140) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 7.010 -18.621 0.000) 19.896 2.789 ( 2.047 -8.982 0.000) 9.212 3.270 ( 9.260 7.804 0.000) 12.110 3.376 ( -4.229 -2.563 0.000) 4.945 3.455 ( 0.239 4.564 0.000) 4.570 3.566 ( -9.266 7.725 0.000) 12.063 5.080 ( 10.196 11.569 0.000) 15.421 5.231 ( -3.681 8.289 0.000) 9.070 5.651 ( 1.623 5.115 0.000) 5.366 5.669 ( 0.495 4.831 0.000) 4.856 6.541 ( 6.550 2.124 0.000) 6.886 6.684 ( -7.351 1.896 0.000) 7.591 11.630 ( 21.672 -26.919 0.000) 34.559 11.991 ( 16.290 -22.556 0.000) 27.823 12.057 ( -21.014 -19.647 0.000) 28.768 12.430 ( -26.732 -34.826 0.000) 43.902 17.538 ( 2.839 22.831 0.000) 23.007 17.565 ( 0.212 21.439 0.000) 21.440 ======================= Grid point 56 (23/140) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -4.213 -4.213 0.000) 5.958 2.554 ( 8.722 8.722 0.000) 12.335 2.975 ( 13.736 13.736 0.000) 19.426 3.497 ( -9.660 -9.660 0.000) 13.661 3.521 ( 2.133 2.133 0.000) 3.016 3.959 ( -2.825 -2.825 0.000) 3.995 4.869 ( 11.286 11.286 0.000) 15.960 5.102 ( 10.936 10.936 0.000) 15.466 5.662 ( 4.851 4.851 0.000) 6.861 5.725 ( 1.854 1.854 0.000) 2.622 6.406 ( 3.171 3.171 0.000) 4.485 6.908 ( -2.211 -2.211 0.000) 3.127 10.707 ( -4.267 -4.267 0.000) 6.035 11.580 ( -3.646 -3.646 0.000) 5.156 12.534 ( -22.278 -22.278 0.000) 31.506 12.950 ( -33.496 -33.496 0.000) 47.371 17.626 ( 13.055 13.055 0.000) 18.462 17.680 ( 10.870 10.870 0.000) 15.372 ======================= Grid point 57 (24/140) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.748 -12.625 0.000) 12.921 2.630 ( -1.695 -5.909 0.000) 6.147 3.249 ( 12.748 11.795 0.000) 17.368 3.384 ( -1.144 -1.044 0.000) 1.549 3.534 ( -0.363 1.884 0.000) 1.919 3.856 ( -6.786 2.061 0.000) 7.092 5.105 ( 11.737 12.558 0.000) 17.189 5.310 ( 8.541 7.740 0.000) 11.527 5.738 ( 2.643 4.759 0.000) 5.444 5.753 ( 0.867 5.229 0.000) 5.301 6.474 ( 3.884 1.944 0.000) 4.343 6.831 ( -5.347 -0.927 0.000) 5.426 10.772 ( 10.227 -15.574 0.000) 18.632 11.548 ( 0.784 -9.586 0.000) 9.618 12.089 ( -22.258 -20.736 0.000) 30.420 12.305 ( -29.588 -33.469 0.000) 44.672 17.828 ( 7.224 15.025 0.000) 16.671 17.851 ( 6.186 13.343 0.000) 14.707 ======================= Grid point 58 (25/140) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 7.320 -17.069 0.000) 18.573 2.518 ( -8.013 -15.914 0.000) 17.818 3.416 ( 2.835 4.832 0.000) 5.602 3.440 ( 3.325 8.053 0.000) 8.712 3.548 ( 4.819 4.712 0.000) 6.740 3.703 ( -8.215 5.430 0.000) 9.847 5.314 ( 8.278 11.558 0.000) 14.217 5.404 ( 0.082 8.701 0.000) 8.702 5.764 ( 0.456 6.121 0.000) 6.138 5.768 ( 0.421 4.984 0.000) 5.001 6.572 ( 5.933 0.720 0.000) 5.976 6.704 ( -6.916 -0.048 0.000) 6.916 11.095 ( 21.293 -23.119 0.000) 31.431 11.591 ( -26.832 -25.184 0.000) 36.799 11.625 ( 7.144 -16.072 0.000) 17.589 11.848 ( -15.716 -23.693 0.000) 28.431 17.924 ( 2.495 15.616 0.000) 15.814 17.930 ( 1.801 14.980 0.000) 15.088 ======================= Grid point 70 (26/140) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -4.466 -4.466 0.000) 6.316 2.435 ( -11.767 -11.767 0.000) 16.641 3.436 ( 4.356 4.356 0.000) 6.161 3.478 ( 10.541 10.541 0.000) 14.907 3.556 ( 0.511 0.511 0.000) 0.723 3.852 ( -2.026 -2.026 0.000) 2.865 5.349 ( 11.171 11.171 0.000) 15.799 5.466 ( 7.031 7.031 0.000) 9.943 5.817 ( 3.234 3.234 0.000) 4.574 5.848 ( 3.946 3.946 0.000) 5.581 6.509 ( 1.938 1.938 0.000) 2.740 6.781 ( -4.082 -4.082 0.000) 5.773 10.615 ( -0.068 -0.068 0.000) 0.096 11.389 ( -5.847 -5.847 0.000) 8.269 11.671 ( -28.317 -28.317 0.000) 40.046 11.703 ( -18.138 -18.138 0.000) 25.651 18.060 ( 8.319 8.319 0.000) 11.765 18.063 ( 7.842 7.842 0.000) 11.091 ======================= Grid point 71 (27/140) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 3.738 -10.807 0.000) 11.436 2.210 ( -9.737 -13.748 0.000) 16.847 3.513 ( 2.894 4.076 0.000) 4.999 3.549 ( -0.856 2.766 0.000) 2.895 3.665 ( 7.534 6.646 0.000) 10.046 3.785 ( -4.570 2.868 0.000) 5.396 5.526 ( 5.782 9.002 0.000) 10.699 5.563 ( 2.014 6.716 0.000) 7.011 5.870 ( 2.081 5.240 0.000) 5.638 5.893 ( 0.289 6.413 0.000) 6.419 6.569 ( 4.329 -0.762 0.000) 4.395 6.677 ( -5.846 -2.682 0.000) 6.432 10.757 ( 13.714 -10.117 0.000) 17.042 11.138 ( -23.510 -18.864 0.000) 30.142 11.333 ( 0.750 -12.556 0.000) 12.578 11.432 ( -9.283 -17.790 0.000) 20.066 18.167 ( 2.619 8.715 0.000) 9.100 18.168 ( 2.597 8.860 0.000) 9.233 ======================= Grid point 84 (28/140) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -1.914 -1.914 0.000) 2.707 1.995 ( -7.171 -7.171 0.000) 10.142 3.568 ( 1.464 1.464 0.000) 2.071 3.578 ( 0.400 0.400 0.000) 0.566 3.777 ( 3.938 3.938 0.000) 5.569 3.816 ( -0.024 -0.024 0.000) 0.034 5.652 ( 3.219 3.219 0.000) 4.552 5.658 ( 2.446 2.446 0.000) 3.459 5.970 ( 3.971 3.971 0.000) 5.616 5.991 ( 2.355 2.355 0.000) 3.331 6.561 ( 0.634 0.634 0.000) 0.896 6.608 ( -3.619 -3.619 0.000) 5.118 10.687 ( 2.701 2.701 0.000) 3.820 10.837 ( -11.460 -11.460 0.000) 16.207 11.149 ( -4.892 -4.892 0.000) 6.919 11.169 ( -7.359 -7.359 0.000) 10.407 18.283 ( 2.884 2.884 0.000) 4.079 18.284 ( 2.811 2.811 0.000) 3.975 ======================= Grid point 169 (29/140) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 0.000 19.865) 19.865 0.395 ( 0.000 0.000 19.865) 19.865 0.677 ( -0.000 -0.000 34.449) 34.449 2.883 ( -0.000 0.000 -1.651) 1.651 2.883 ( 0.000 0.000 -1.651) 1.651 3.491 ( 0.000 0.000 0.511) 0.511 3.491 ( 0.000 0.000 0.511) 0.511 5.222 ( -0.000 -0.000 -7.727) 7.727 5.974 ( 0.000 0.000 -0.597) 0.597 5.974 ( 0.000 0.000 -0.597) 0.597 6.824 ( 0.000 0.000 2.061) 2.061 7.011 ( 0.000 0.000 -0.231) 0.231 11.321 ( 0.000 0.000 -0.105) 0.105 11.321 ( 0.000 -0.000 -0.105) 0.105 11.866 ( -0.000 -0.000 0.227) 0.227 16.068 ( -0.000 0.000 -0.168) 0.168 16.068 ( 0.000 -0.000 -0.168) 0.168 17.248 ( -0.000 0.000 0.340) 0.340 ======================= Grid point 170 (30/140) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 11.103 0.000 15.089) 18.734 0.737 ( 25.656 0.000 10.555) 27.742 1.151 ( 37.920 0.000 16.015) 41.163 2.950 ( 6.592 0.000 -1.656) 6.797 3.350 ( 21.679 0.000 -29.861) 36.901 3.481 ( -0.964 0.000 0.536) 1.103 3.690 ( 18.381 0.000 -1.682) 18.458 5.112 ( -12.601 0.000 -4.590) 13.411 5.594 ( -27.685 0.000 19.370) 33.789 5.939 ( -3.502 0.000 -0.592) 3.552 6.217 ( -7.198 0.000 22.159) 23.299 7.002 ( -0.899 0.000 -0.280) 0.941 11.414 ( 9.134 0.000 -0.107) 9.134 11.856 ( -0.899 0.000 0.252) 0.934 13.323 ( 89.169 0.000 -79.568) 119.508 15.976 ( -11.065 0.000 0.789) 11.093 16.017 ( -5.043 0.000 -0.169) 5.046 16.754 ( -27.346 0.000 22.401) 35.349 ======================= Grid point 171 (31/140) ======================= q-point: ( 0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 20.239 0.000 2.452) 20.387 1.273 ( 26.578 0.000 5.852) 27.215 1.941 ( 38.375 0.000 6.689) 38.954 3.137 ( 11.742 0.000 -1.681) 11.862 3.452 ( -1.913 0.000 0.648) 2.020 3.625 ( 7.634 0.000 -26.927) 27.988 4.105 ( 22.183 0.000 1.430) 22.229 4.792 ( -14.964 0.000 2.329) 15.144 5.307 ( -6.814 0.000 7.546) 10.167 5.834 ( -6.893 0.000 -0.580) 6.917 6.195 ( 1.380 0.000 12.758) 12.832 6.974 ( -1.940 0.000 -0.398) 1.980 11.681 ( 17.286 0.000 -0.113) 17.286 11.836 ( -0.890 0.000 0.290) 0.936 14.293 ( 14.892 0.000 -31.046) 34.433 15.686 ( -10.667 0.000 -6.353) 12.416 15.866 ( -10.018 0.000 -0.172) 10.020 16.480 ( -3.998 0.000 11.172) 11.866 ======================= Grid point 172 (32/140) ======================= q-point: ( 0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 24.578 0.000 -4.514) 24.989 1.781 ( 23.777 0.000 3.753) 24.071 2.631 ( 29.340 0.000 2.354) 29.435 3.377 ( 3.226 0.000 -1.474) 3.546 3.436 ( 8.876 0.000 0.631) 8.898 3.704 ( 1.307 0.000 -21.379) 21.419 4.517 ( 0.035 0.000 6.717) 6.717 4.596 ( 12.872 0.000 -3.022) 13.221 5.221 ( -1.836 0.000 3.964) 4.368 5.663 ( -10.064 0.000 -0.564) 10.080 6.238 ( 2.696 0.000 9.733) 10.100 6.922 ( -3.264 0.000 -0.412) 3.290 11.832 ( 0.743 0.000 0.249) 0.784 12.096 ( 23.627 0.000 -0.121) 23.627 14.160 ( -20.945 0.000 1.268) 20.984 15.616 ( -14.841 0.000 -0.173) 14.842 15.669 ( 5.925 0.000 -17.450) 18.429 16.447 ( -0.868 0.000 4.325) 4.412 ======================= Grid point 173 (33/140) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 25.232 0.000 -7.338) 26.277 2.220 ( 19.840 0.000 2.467) 19.993 3.087 ( 15.676 0.000 -0.858) 15.699 3.317 ( -4.518 0.000 0.308) 4.528 3.706 ( -0.695 0.000 -16.071) 16.086 3.746 ( 17.192 0.000 -0.868) 17.213 4.352 ( -8.711 0.000 -2.139) 8.970 5.009 ( 19.387 0.000 3.569) 19.713 5.250 ( 4.964 0.000 3.832) 6.272 5.432 ( -12.906 0.000 -0.548) 12.917 6.301 ( 3.626 0.000 7.739) 8.546 6.842 ( -4.745 0.000 0.024) 4.745 11.879 ( 4.328 0.000 0.088) 4.329 12.614 ( 27.658 0.000 -0.129) 27.658 13.654 ( -27.118 0.000 4.088) 27.425 15.272 ( -19.383 0.000 -0.171) 19.383 15.812 ( 7.249 0.000 -11.779) 13.831 16.414 ( -2.698 0.000 1.388) 3.034 ======================= Grid point 174 (34/140) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 23.524 0.000 -7.894) 24.813 2.576 ( 15.666 0.000 1.595) 15.747 3.209 ( -6.399 0.000 0.495) 6.418 3.245 ( -0.462 0.000 -4.611) 4.634 3.710 ( 2.616 0.000 -10.819) 11.131 4.103 ( 18.160 0.000 -0.740) 18.175 4.176 ( -8.894 0.000 -4.593) 10.010 5.148 ( -15.295 0.000 -0.540) 15.304 5.333 ( 12.520 0.000 3.278) 12.942 5.397 ( 8.423 0.000 4.651) 9.621 6.385 ( 4.695 0.000 6.108) 7.705 6.734 ( -5.912 0.000 1.127) 6.018 12.017 ( 9.611 0.000 -0.075) 9.611 13.119 ( -25.604 0.000 2.285) 25.705 13.190 ( 29.304 0.000 -0.138) 29.304 14.841 ( -23.444 0.000 -0.165) 23.445 15.951 ( 6.745 0.000 -6.403) 9.301 16.336 ( -5.022 0.000 -0.167) 5.025 ======================= Grid point 175 (35/140) ======================= q-point: ( 0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 19.772 0.000 -7.401) 21.112 2.851 ( 11.878 0.000 1.031) 11.923 3.057 ( -8.789 0.000 0.696) 8.817 3.091 ( -13.341 0.000 -6.754) 14.953 3.823 ( 7.765 0.000 -7.786) 10.997 3.995 ( -9.011 0.000 -6.462) 11.088 4.468 ( 18.086 0.000 -0.615) 18.096 4.822 ( -17.080 0.000 -0.554) 17.089 5.509 ( 4.977 0.000 3.579) 6.130 5.526 ( 3.257 0.000 4.542) 5.588 6.489 ( 5.704 0.000 4.478) 7.252 6.610 ( -6.247 0.000 2.737) 6.820 12.271 ( 15.703 0.000 0.048) 15.703 12.644 ( -21.393 0.000 0.777) 21.407 13.776 ( 28.842 0.000 -0.147) 28.843 14.336 ( -26.731 0.000 -0.157) 26.731 16.086 ( 6.732 0.000 -3.247) 7.474 16.219 ( -6.413 0.000 -1.450) 6.575 ======================= Grid point 183 (36/140) ======================= q-point: ( 0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 9.476 9.476 10.205) 16.844 0.873 ( 16.985 16.985 7.047) 25.033 1.517 ( 29.088 29.088 11.499) 42.713 2.838 ( -2.093 -2.093 -0.888) 3.091 3.524 ( 8.360 8.360 -12.967) 17.547 3.656 ( 7.934 7.934 0.597) 11.236 3.797 ( 14.969 14.969 -17.429) 27.421 4.980 ( -12.616 -12.616 -0.080) 17.841 5.414 ( -9.836 -9.836 12.190) 18.495 6.008 ( 1.657 1.657 -0.978) 2.539 6.130 ( -4.205 -4.205 19.438) 20.328 6.996 ( -0.654 -0.654 -0.386) 1.003 11.273 ( -2.366 -2.366 0.221) 3.354 11.844 ( -1.107 -1.107 0.270) 1.589 14.024 ( 40.459 40.459 -58.707) 81.978 15.862 ( -10.264 -10.264 -0.243) 14.517 15.947 ( -7.002 -7.002 0.096) 9.902 16.641 ( -5.513 -5.513 16.743) 18.469 ======================= Grid point 184 (37/140) ======================= q-point: ( 0.15 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 19.266 8.050 0.139) 20.881 1.322 ( 24.998 6.726 3.794) 26.164 2.151 ( 32.023 18.271 6.490) 37.436 2.903 ( 7.235 -13.786 -1.182) 15.614 3.569 ( -1.504 11.716 -1.988) 11.978 3.872 ( 10.399 13.134 -15.303) 22.690 4.137 ( 18.979 4.347 -4.051) 19.887 4.699 ( -13.436 -8.505 1.013) 15.934 5.277 ( -4.677 -2.253 4.113) 6.623 5.913 ( -7.970 6.378 3.728) 10.867 6.153 ( 3.502 -3.907 10.121) 11.400 6.974 ( -1.592 -0.051 -0.638) 1.716 11.396 ( 13.033 -19.722 0.114) 23.639 11.819 ( -1.097 -1.603 0.284) 1.963 14.419 ( -2.041 4.146 -12.694) 13.509 15.621 ( -12.601 -15.325 -1.744) 19.916 15.853 ( 0.566 11.391 -14.050) 18.096 16.614 ( 1.477 10.120 7.512) 12.690 ======================= Grid point 185 (38/140) ======================= q-point: ( 0.23 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 23.875 6.367 -5.419) 25.296 1.818 ( 23.787 4.124 2.348) 24.256 2.740 ( 25.424 9.966 2.624) 27.433 3.090 ( 10.667 -19.474 -2.585) 22.354 3.516 ( -3.464 11.576 -0.111) 12.084 4.010 ( 4.551 17.269 -15.868) 23.890 4.450 ( -8.696 -7.028 1.528) 11.284 4.575 ( 20.564 -1.036 1.331) 20.633 5.218 ( -0.947 0.239 1.697) 1.958 5.734 ( -9.720 6.044 2.810) 11.786 6.225 ( 3.623 -1.183 7.808) 8.689 6.929 ( -2.978 0.591 -0.783) 3.135 11.725 ( 14.707 -23.183 -0.035) 27.454 11.835 ( 7.225 -7.070 0.150) 10.110 14.109 ( -23.790 -6.530 4.565) 25.089 15.329 ( -16.823 -22.806 -0.440) 28.343 15.965 ( 8.224 24.430 -17.593) 31.208 16.651 ( 1.548 15.742 3.192) 16.137 ======================= Grid point 186 (39/140) ======================= q-point: ( 0.31 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 24.520 4.877 -7.623) 26.137 2.260 ( 20.065 3.953 1.423) 20.501 3.135 ( 13.866 3.733 -0.376) 14.365 3.289 ( 7.156 -18.644 -5.720) 20.774 3.441 ( -3.243 9.220 1.279) 9.858 4.108 ( 6.508 16.625 -9.636) 20.288 4.259 ( -9.359 -8.435 -1.964) 12.752 4.994 ( 18.793 -1.628 4.951) 19.502 5.249 ( 3.651 1.390 0.496) 3.938 5.531 ( -9.865 7.882 1.991) 12.783 6.301 ( 4.004 -0.032 6.503) 7.637 6.853 ( -4.606 1.020 -0.425) 4.736 11.831 ( 4.211 -5.513 0.042) 6.937 12.254 ( 26.036 -29.750 -0.203) 39.534 13.583 ( -27.188 -7.385 4.417) 28.517 14.946 ( -21.273 -27.200 -0.173) 34.531 16.128 ( 7.661 26.816 -11.100) 30.017 16.660 ( -0.886 19.466 1.021) 19.513 ======================= Grid point 187 (40/140) ======================= q-point: ( 0.38 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 22.527 3.195 -7.912) 24.089 2.619 ( 15.677 4.099 0.535) 16.213 3.254 ( -4.035 2.002 -5.074) 6.785 3.310 ( -2.866 5.820 -0.468) 6.505 3.474 ( 7.122 -14.332 -2.983) 16.280 4.065 ( -9.843 -9.943 -3.733) 14.481 4.309 ( 12.991 13.946 -3.947) 19.464 5.172 ( -8.218 1.431 2.241) 8.638 5.354 ( 10.565 2.306 0.989) 10.859 5.455 ( 4.208 5.527 3.741) 7.890 6.389 ( 4.881 0.458 5.281) 7.206 6.746 ( -5.924 1.151 0.650) 6.069 11.963 ( 9.316 -5.489 -0.096) 10.813 12.804 ( 28.033 -32.633 -0.349) 43.022 13.052 ( -24.919 -7.148 2.447) 26.039 14.481 ( -24.942 -30.588 -0.158) 39.468 16.272 ( 6.776 27.207 -6.128) 28.700 16.614 ( -3.564 22.562 -0.304) 22.844 ======================= Grid point 188 (41/140) ======================= q-point: ( 0.46 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 17.291 0.618 -7.442) 18.835 2.880 ( 8.859 2.495 -1.541) 9.332 3.113 ( -7.683 4.214 -3.681) 9.504 3.169 ( -9.441 7.534 -0.311) 12.083 3.657 ( 9.984 -13.195 -4.220) 17.076 3.861 ( -10.285 -11.529 -4.529) 16.100 4.603 ( 15.630 10.784 -1.728) 19.068 4.914 ( -14.912 7.662 -0.436) 16.771 5.523 ( 4.984 1.272 3.064) 5.988 5.545 ( 2.546 2.007 3.650) 4.882 6.497 ( 5.859 0.763 3.873) 7.064 6.621 ( -6.364 1.025 2.231) 6.822 12.211 ( 15.423 -5.937 0.041) 16.526 12.579 ( -21.089 -6.465 0.742) 22.070 13.385 ( 28.757 -33.699 -0.139) 44.301 13.952 ( -27.529 -32.900 -0.156) 42.898 16.403 ( 6.300 26.611 -3.219) 27.535 16.522 ( -5.427 25.024 -1.517) 25.650 ======================= Grid point 197 (42/140) ======================= q-point: ( 0.15 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 16.760 16.760 -3.972) 24.033 1.569 ( 17.087 17.087 1.342) 24.202 2.576 ( 22.396 22.396 4.703) 32.020 2.731 ( -3.013 -3.013 1.152) 4.414 3.789 ( 5.435 5.435 -3.585) 8.481 4.083 ( 12.654 12.654 0.777) 17.912 4.291 ( 9.296 9.296 -12.021) 17.814 4.490 ( -11.458 -11.458 -1.446) 16.269 5.241 ( -0.976 -0.976 0.036) 1.381 5.988 ( -3.278 -3.278 15.590) 16.265 6.103 ( 3.000 3.000 -1.830) 4.620 6.968 ( -0.660 -0.660 -1.202) 1.521 11.136 ( -4.424 -4.424 0.748) 6.300 11.781 ( -1.952 -1.952 0.273) 2.774 14.296 ( -15.430 -15.430 4.425) 22.266 15.243 ( -20.518 -20.518 -0.322) 29.019 16.177 ( 17.385 17.385 -21.130) 32.418 16.813 ( 9.116 9.116 4.021) 13.505 ======================= Grid point 198 (43/140) ======================= q-point: ( 0.23 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 21.433 13.618 -6.597) 26.236 1.960 ( 20.751 9.934 0.163) 23.007 2.758 ( 5.052 -11.383 1.737) 12.575 2.998 ( 18.331 13.315 1.218) 22.689 3.786 ( -3.452 12.769 -0.083) 13.228 4.260 ( -10.974 -10.876 -1.955) 15.574 4.302 ( 5.810 12.796 -9.139) 16.763 4.565 ( 19.063 -0.063 2.533) 19.230 5.250 ( 2.071 3.186 -2.366) 4.476 5.854 ( -7.984 4.567 9.691) 13.361 6.204 ( 5.253 -0.262 1.765) 5.547 6.941 ( -2.162 0.470 -1.657) 2.764 11.205 ( 10.079 -21.853 0.523) 24.071 11.758 ( 0.195 -3.483 0.231) 3.496 13.877 ( -24.584 -16.220 6.165) 30.091 14.809 ( -22.901 -27.857 -0.250) 36.063 16.487 ( 13.197 24.916 -15.599) 32.223 16.969 ( 6.370 14.938 1.940) 16.354 ======================= Grid point 199 (44/140) ======================= q-point: ( 0.31 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 22.070 10.334 -7.602) 25.527 2.366 ( 19.148 5.848 -0.603) 20.031 2.900 ( 8.354 -15.244 0.900) 17.407 3.272 ( 8.328 6.249 -3.012) 10.839 3.688 ( -6.066 12.544 2.305) 14.124 4.048 ( -10.230 -10.831 -1.291) 14.954 4.402 ( 6.112 12.789 -6.622) 15.645 4.953 ( 17.573 -1.841 5.492) 18.504 5.323 ( 4.827 5.544 -3.224) 8.027 5.694 ( -7.454 7.573 5.751) 12.082 6.304 ( 4.805 0.481 2.941) 5.654 6.878 ( -4.167 1.318 -1.503) 4.622 11.481 ( 15.602 -29.638 0.030) 33.494 11.821 ( 7.525 -9.032 0.175) 11.757 13.357 ( -26.413 -14.904 4.099) 30.604 14.319 ( -25.901 -33.621 -0.155) 42.442 16.710 ( 9.200 28.341 -9.690) 31.333 17.064 ( 3.058 19.491 0.547) 19.737 ======================= Grid point 200 (45/140) ======================= q-point: ( 0.38 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 19.534 6.611 -7.349) 21.892 2.710 ( 14.718 2.838 -2.053) 15.130 3.066 ( 7.336 -13.822 -1.363) 15.707 3.346 ( 0.511 2.384 -4.549) 5.162 3.549 ( -7.478 10.355 3.481) 13.239 3.839 ( -10.789 -10.456 0.144) 15.025 4.581 ( 11.449 13.062 -3.662) 17.751 5.189 ( 2.946 0.639 4.950) 5.796 5.430 ( 6.346 5.061 -2.508) 8.496 5.594 ( -1.270 7.582 3.567) 8.475 6.403 ( 5.274 0.961 2.988) 6.138 6.776 ( -5.890 1.674 -0.532) 6.146 11.758 ( 12.148 -18.222 -0.184) 21.901 12.119 ( 21.641 -28.744 0.023) 35.980 12.842 ( -24.504 -13.692 2.103) 28.149 13.774 ( -28.297 -37.776 -0.128) 47.200 16.867 ( 6.671 29.388 -5.729) 30.675 17.093 ( -0.202 23.352 -0.568) 23.360 ======================= Grid point 201 (46/140) ======================= q-point: ( 0.46 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 13.063 1.510 -6.924) 14.862 2.910 ( 2.505 -2.065 -5.768) 6.619 3.176 ( 5.267 0.848 -1.897) 5.662 3.318 ( -5.983 3.280 -2.819) 7.383 3.460 ( 3.119 -0.345 3.856) 4.972 3.621 ( -10.457 -9.659 0.930) 14.266 4.835 ( 13.166 11.805 -1.628) 17.758 5.081 ( -10.536 8.434 0.659) 13.512 5.561 ( 5.039 2.676 1.174) 5.825 5.606 ( 0.309 3.912 2.378) 4.588 6.518 ( 6.195 1.289 2.267) 6.722 6.649 ( -6.613 1.592 0.937) 6.867 12.026 ( 15.410 -13.059 0.024) 20.199 12.386 ( -20.246 -12.844 0.633) 23.984 12.625 ( 27.210 -38.270 0.016) 46.957 13.195 ( -29.024 -39.853 -0.109) 49.302 16.982 ( 4.857 28.649 -3.300) 29.244 17.060 ( -2.867 26.509 -1.737) 26.720 ======================= Grid point 211 (47/140) ======================= q-point: ( 0.23 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 17.814 17.814 -6.842) 26.106 2.194 ( 12.304 12.304 -0.733) 17.416 2.640 ( 0.186 0.186 3.878) 3.887 3.243 ( 9.784 9.784 -2.278) 14.023 3.918 ( -1.882 -1.882 3.199) 4.161 4.063 ( -6.701 -6.701 -3.550) 10.120 4.554 ( 5.248 5.248 -1.050) 7.495 4.617 ( 13.323 13.323 0.867) 18.862 5.339 ( 5.291 5.291 -4.787) 8.883 5.881 ( -1.773 -1.773 12.669) 12.914 6.238 ( 3.589 3.589 -2.595) 5.700 6.939 ( -0.954 -0.954 -2.457) 2.803 10.925 ( -5.805 -5.805 0.671) 8.237 11.696 ( -2.298 -2.298 0.200) 3.256 13.480 ( -22.685 -22.685 4.981) 32.467 14.233 ( -29.366 -29.366 -0.227) 41.530 16.919 ( 17.891 17.891 -11.490) 27.789 17.233 ( 11.200 11.200 0.916) 15.866 ======================= Grid point 212 (48/140) ======================= q-point: ( 0.31 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 17.584 13.138 -6.443) 22.876 2.409 ( 9.041 -3.525 1.101) 9.766 2.768 ( 11.469 4.383 2.172) 12.468 3.358 ( 1.536 1.119 -7.555) 7.791 3.778 ( -8.291 -5.668 5.378) 11.393 3.963 ( -5.980 4.225 1.682) 7.513 4.647 ( 7.143 11.872 -1.890) 13.983 4.957 ( 16.624 3.455 2.974) 17.237 5.448 ( 5.319 6.473 -4.562) 9.540 5.814 ( -4.168 4.085 8.761) 10.527 6.326 ( 4.761 1.836 -1.286) 5.263 6.896 ( -3.357 0.236 -2.583) 4.242 10.956 ( 8.144 -20.117 0.286) 21.705 11.682 ( 1.273 -6.004 0.138) 6.139 12.997 ( -24.738 -20.572 3.169) 32.330 13.632 ( -30.523 -34.428 -0.137) 46.011 17.212 ( 11.610 21.292 -7.836) 25.487 17.417 ( 7.065 15.336 -0.001) 16.885 ======================= Grid point 213 (49/140) ======================= q-point: ( 0.38 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 9.800 -8.546 -0.952) 13.038 2.592 ( 11.205 0.927 -2.774) 11.580 3.025 ( 12.711 7.753 -0.470) 14.896 3.334 ( -2.583 -4.100 -8.607) 9.878 3.632 ( -6.208 -1.038 6.450) 9.012 3.805 ( -9.401 6.062 4.040) 11.893 4.841 ( 11.406 13.050 -1.836) 17.429 5.223 ( 8.375 3.293 3.837) 9.783 5.543 ( 4.215 5.982 -3.437) 8.085 5.737 ( -2.958 6.369 4.507) 8.344 6.426 ( 5.357 1.278 0.056) 5.508 6.805 ( -5.628 0.970 -1.823) 5.995 11.222 ( 17.664 -28.220 -0.061) 33.293 11.763 ( 7.225 -11.897 0.078) 13.919 12.511 ( -23.344 -18.981 1.686) 30.134 13.015 ( -30.628 -37.088 -0.105) 48.100 17.397 ( 7.090 22.908 -5.211) 24.539 17.518 ( 3.117 18.713 -0.948) 18.995 ======================= Grid point 214 (50/140) ======================= q-point: ( 0.46 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 5.440 -14.867 -0.805) 15.851 2.753 ( 2.867 -6.205 -3.565) 7.709 3.241 ( 7.779 6.629 -3.030) 10.660 3.303 ( -0.289 -0.316 -5.152) 5.170 3.538 ( -2.028 3.541 6.137) 7.370 3.613 ( -8.589 6.744 4.590) 11.846 5.074 ( 11.076 12.076 -0.714) 16.402 5.249 ( -5.169 8.477 1.675) 10.069 5.631 ( 4.334 4.270 -0.728) 6.127 5.695 ( -1.996 4.792 1.616) 5.437 6.544 ( 6.393 1.139 0.271) 6.499 6.678 ( -6.747 1.174 -0.584) 6.873 11.629 ( 21.838 -26.944 -0.020) 34.683 11.991 ( 15.764 -22.389 -0.018) 27.382 12.065 ( -20.962 -19.842 0.700) 28.872 12.429 ( -26.677 -34.774 -0.062) 43.828 17.504 ( 3.641 22.799 -3.386) 23.335 17.545 ( -0.416 21.282 -2.036) 21.383 ======================= Grid point 225 (51/140) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -2.764 -2.764 5.825) 7.015 2.515 ( 10.177 10.177 -4.169) 14.985 2.971 ( 12.937 12.937 -0.407) 18.301 3.311 ( -4.144 -4.144 -10.316) 11.864 3.684 ( -2.948 -2.948 8.293) 9.281 3.992 ( -2.437 -2.437 3.449) 4.876 4.875 ( 11.098 11.098 0.234) 15.697 5.113 ( 11.026 11.026 1.081) 15.631 5.570 ( 5.425 5.425 -4.002) 8.653 5.859 ( 0.577 0.577 8.245) 8.285 6.377 ( 3.146 3.146 -2.939) 5.332 6.878 ( -2.221 -2.221 -3.046) 4.375 10.709 ( -4.391 -4.391 0.139) 6.212 11.581 ( -3.659 -3.659 0.107) 5.175 12.555 ( -22.757 -22.757 2.138) 32.255 12.949 ( -33.488 -33.488 -0.096) 47.359 17.563 ( 13.915 13.915 -6.061) 20.590 17.676 ( 10.457 10.457 -0.670) 14.804 ======================= Grid point 226 (52/140) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.659 -10.233 7.209) 12.796 2.622 ( -0.118 -3.556 -0.942) 3.681 3.228 ( 11.591 11.158 -2.303) 16.253 3.281 ( 2.548 1.366 -7.174) 7.735 3.635 ( -2.298 0.608 7.013) 7.405 3.886 ( -7.278 1.257 3.302) 8.090 5.105 ( 11.580 13.090 -0.300) 17.480 5.330 ( 9.020 7.104 2.014) 11.656 5.662 ( 3.740 5.622 -3.116) 7.436 5.845 ( -1.737 4.358 4.860) 6.755 6.452 ( 4.430 1.231 -2.181) 5.089 6.805 ( -4.961 -1.157 -2.643) 5.739 10.771 ( 10.156 -15.622 -0.079) 18.633 11.549 ( 0.793 -9.556 0.099) 9.590 12.102 ( -22.716 -20.959 1.252) 30.933 12.305 ( -29.521 -33.448 -0.078) 44.613 17.780 ( 7.927 15.339 -4.600) 17.868 17.837 ( 5.713 13.058 -1.460) 14.327 ======================= Grid point 227 (53/140) ======================= q-point: ( 0.46 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 6.045 -14.012 5.828) 16.335 2.543 ( -6.268 -12.829 2.642) 14.521 3.368 ( 5.313 6.191 -4.301) 9.223 3.409 ( 3.652 8.769 -3.333) 10.067 3.611 ( 1.768 3.184 5.453) 6.557 3.728 ( -7.950 4.085 2.854) 9.383 5.318 ( 8.903 12.026 0.235) 14.965 5.423 ( -0.545 8.670 1.925) 8.898 5.729 ( 3.351 5.345 -1.726) 6.540 5.796 ( -3.048 5.221 1.174) 6.159 6.558 ( 6.067 0.041 -1.412) 6.229 6.687 ( -6.514 -0.500 -1.771) 6.769 11.094 ( 21.357 -23.172 -0.092) 31.513 11.593 ( -26.656 -25.262 0.191) 36.725 11.627 ( 6.702 -16.171 0.209) 17.506 11.851 ( -15.675 -23.485 0.258) 28.237 17.889 ( 3.085 15.621 -3.404) 16.283 17.907 ( 1.277 14.812 -2.371) 15.055 ======================= Grid point 239 (54/140) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -3.435 -3.435 10.663) 11.717 2.475 ( -9.407 -9.407 3.989) 13.889 3.372 ( 6.461 6.461 -4.914) 10.374 3.451 ( 10.074 10.074 -2.864) 14.532 3.637 ( -0.441 -0.441 6.077) 6.109 3.863 ( -3.061 -3.061 1.593) 4.612 5.355 ( 11.455 11.455 0.435) 16.206 5.482 ( 7.183 7.183 1.605) 10.284 5.763 ( 4.365 4.365 -2.762) 6.763 5.909 ( 1.728 1.728 3.500) 4.269 6.481 ( 1.979 1.979 -2.892) 4.025 6.754 ( -3.961 -3.961 -2.733) 6.233 10.613 ( -0.114 -0.114 -0.189) 0.249 11.391 ( -5.784 -5.784 0.193) 8.182 11.669 ( -28.385 -28.385 -0.222) 40.143 11.713 ( -18.264 -18.264 0.997) 25.849 18.019 ( 8.654 8.654 -3.968) 12.865 18.043 ( 7.504 7.504 -2.071) 10.812 ======================= Grid point 240 (55/140) ======================= q-point: ( 0.46 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.083 -8.649 11.033) 14.354 2.295 ( -7.824 -11.097 8.401) 15.966 3.495 ( 5.330 5.767 -1.709) 8.036 3.570 ( -0.986 6.153 -0.647) 6.265 3.663 ( 5.598 2.548 1.527) 6.337 3.779 ( -5.119 1.284 0.010) 5.277 5.540 ( 6.229 9.499 1.259) 11.429 5.582 ( 2.023 6.759 1.965) 7.324 5.840 ( 3.582 5.569 -2.204) 6.979 5.904 ( -2.195 5.377 0.369) 5.820 6.545 ( 4.564 -1.085 -2.440) 5.288 6.653 ( -5.690 -2.850 -2.379) 6.794 10.755 ( 13.713 -10.206 -0.239) 17.096 11.136 ( -23.526 -19.073 -0.215) 30.287 11.337 ( 0.851 -12.436 0.364) 12.470 11.438 ( -9.433 -17.624 0.615) 19.999 18.134 ( 2.951 8.911 -3.342) 9.964 18.141 ( 2.258 8.550 -2.712) 9.250 ======================= Grid point 253 (56/140) ======================= q-point: ( 0.46 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -1.475 -1.475 13.638) 13.797 2.122 ( -5.682 -5.682 12.572) 14.920 3.585 ( 3.106 3.106 1.564) 4.662 3.621 ( -0.335 -0.335 3.925) 3.953 3.735 ( 3.738 3.738 -4.297) 6.813 3.783 ( -0.975 -0.975 -2.959) 3.264 5.673 ( 3.364 3.364 2.074) 5.189 5.679 ( 2.526 2.526 2.118) 4.154 5.946 ( 4.485 4.485 -2.171) 6.704 5.983 ( 1.452 1.452 -0.986) 2.278 6.534 ( 0.660 0.660 -2.736) 2.891 6.582 ( -3.690 -3.690 -2.580) 5.821 10.683 ( 2.604 2.604 -0.435) 3.708 10.831 ( -11.513 -11.513 -0.518) 16.290 11.156 ( -4.747 -4.747 0.640) 6.744 11.177 ( -7.356 -7.356 0.822) 10.435 18.252 ( 2.914 2.914 -3.208) 5.222 18.253 ( 2.739 2.739 -3.004) 4.903 ======================= Grid point 338 (57/140) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.000 0.000 15.929) 15.929 0.741 ( 0.000 0.000 15.929) 15.929 1.292 ( 0.000 0.000 29.161) 29.161 2.841 ( -0.000 0.000 -2.558) 2.558 2.841 ( -0.000 0.000 -2.558) 2.558 3.503 ( 0.000 0.000 0.687) 0.687 3.503 ( -0.000 0.000 0.687) 0.687 5.027 ( 0.000 0.000 -11.792) 11.792 5.959 ( -0.000 0.000 -0.855) 0.855 5.959 ( 0.000 0.000 -0.855) 0.855 6.871 ( -0.000 0.000 2.557) 2.557 7.005 ( -0.000 -0.000 -0.342) 0.342 11.319 ( -0.000 0.000 -0.148) 0.148 11.319 ( 0.000 0.000 -0.148) 0.148 11.872 ( -0.000 0.000 0.321) 0.321 16.064 ( 0.000 0.000 -0.238) 0.238 16.064 ( -0.000 -0.000 -0.238) 0.238 17.256 ( -0.000 -0.000 0.479) 0.479 ======================= Grid point 339 (58/140) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 6.149 0.000 19.099) 20.065 0.966 ( 19.357 0.000 12.117) 22.837 1.470 ( 21.432 0.000 15.404) 26.393 2.908 ( 6.599 0.000 -2.548) 7.074 2.988 ( 11.420 0.000 -10.760) 15.691 3.494 ( -0.910 0.000 0.712) 1.155 3.700 ( 18.082 0.000 1.466) 18.141 4.948 ( -7.844 0.000 -10.615) 13.199 5.754 ( -18.179 0.000 2.966) 18.419 5.924 ( -3.491 0.000 -0.848) 3.593 6.585 ( -13.527 0.000 13.528) 19.130 6.995 ( -1.000 0.000 -0.399) 1.077 11.411 ( 9.128 0.000 -0.151) 9.130 11.863 ( -0.837 0.000 0.351) 0.908 12.380 ( 77.724 0.000 -27.357) 82.398 15.977 ( -10.097 0.000 -0.215) 10.099 16.013 ( -5.045 0.000 -0.240) 5.051 16.978 ( -21.859 0.000 5.563) 22.555 ======================= Grid point 340 (59/140) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 7.403 0.000 10.778) 13.076 1.412 ( 23.493 0.000 7.936) 24.797 2.053 ( 32.025 0.000 3.239) 32.189 3.096 ( 11.731 0.000 -2.495) 11.994 3.196 ( 8.384 0.000 -16.497) 18.505 3.467 ( -1.721 0.000 0.809) 1.902 4.147 ( 24.704 0.000 3.031) 24.890 4.736 ( -12.017 0.000 -6.219) 13.531 5.430 ( -11.631 0.000 4.514) 12.477 5.820 ( -6.875 0.000 -0.831) 6.925 6.452 ( -2.270 0.000 12.115) 12.326 6.965 ( -2.066 0.000 -0.531) 2.133 11.679 ( 17.277 0.000 -0.160) 17.278 11.843 ( -0.873 0.000 0.410) 0.964 13.720 ( 49.737 0.000 -25.360) 55.829 15.608 ( -24.360 0.000 -2.466) 24.485 15.862 ( -10.021 0.000 -0.243) 10.024 16.634 ( -10.161 0.000 5.233) 11.429 ======================= Grid point 341 (60/140) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 17.243 0.000 -3.152) 17.529 1.872 ( 21.927 0.000 5.343) 22.569 2.646 ( 25.463 0.000 -2.044) 25.545 3.323 ( 4.676 0.000 -16.075) 16.741 3.342 ( 8.470 0.000 -1.965) 8.694 3.448 ( 3.955 0.000 0.606) 4.001 4.475 ( -8.324 0.000 -5.386) 9.915 4.674 ( 21.536 0.000 6.210) 22.413 5.290 ( -2.567 0.000 2.828) 3.819 5.650 ( -10.043 0.000 -0.808) 10.076 6.440 ( 0.573 0.000 10.025) 10.041 6.913 ( -3.101 0.000 -0.551) 3.150 11.838 ( 0.617 0.000 0.354) 0.712 12.093 ( 23.617 0.000 -0.171) 23.618 14.203 ( -5.415 0.000 3.365) 6.375 15.300 ( 1.673 0.000 -19.587) 19.658 15.612 ( -14.841 0.000 -0.245) 14.843 16.512 ( -3.876 0.000 2.356) 4.536 ======================= Grid point 342 (61/140) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 22.724 0.000 -10.414) 24.996 2.280 ( 18.561 0.000 3.558) 18.899 3.027 ( 11.765 0.000 -6.227) 13.311 3.325 ( -4.165 0.000 0.412) 4.186 3.403 ( 3.779 0.000 -12.937) 13.478 3.725 ( 17.240 0.000 -1.303) 17.289 4.270 ( -10.636 0.000 -5.627) 12.033 5.107 ( 19.123 0.000 6.176) 20.095 5.328 ( 6.263 0.000 3.732) 7.290 5.419 ( -12.889 0.000 -0.785) 12.913 6.466 ( 1.971 0.000 8.447) 8.674 6.842 ( -3.899 0.000 -0.050) 3.900 11.881 ( 4.089 0.000 0.129) 4.091 12.611 ( 27.648 0.000 -0.183) 27.648 13.766 ( -29.274 0.000 7.377) 30.190 15.268 ( -19.378 0.000 -0.242) 19.380 15.532 ( 14.672 0.000 -16.301) 21.932 16.434 ( -4.376 0.000 0.621) 4.420 ======================= Grid point 343 (62/140) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 23.727 0.000 -11.972) 26.576 2.615 ( 14.799 0.000 2.299) 14.977 3.107 ( -3.402 0.000 -9.398) 9.995 3.221 ( -6.192 0.000 0.706) 6.232 3.500 ( 6.189 0.000 -9.603) 11.424 4.051 ( -11.122 0.000 -7.821) 13.596 4.084 ( 18.355 0.000 -1.096) 18.388 5.135 ( -15.295 0.000 -0.774) 15.314 5.418 ( 12.141 0.000 5.349) 13.267 5.504 ( 9.391 0.000 5.770) 11.022 6.517 ( 3.084 0.000 6.947) 7.600 6.759 ( -4.335 0.000 1.260) 4.515 12.015 ( 9.522 0.000 -0.097) 9.522 13.178 ( -28.088 0.000 3.664) 28.326 13.186 ( 29.293 0.000 -0.195) 29.294 14.837 ( -23.435 0.000 -0.234) 23.436 15.798 ( 11.669 0.000 -8.883) 14.665 16.328 ( -6.311 0.000 -0.694) 6.349 ======================= Grid point 344 (63/140) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 20.756 0.000 -10.869) 23.429 2.876 ( 11.346 0.000 1.481) 11.442 2.925 ( -13.967 0.000 -9.794) 17.059 3.074 ( -8.482 0.000 0.997) 8.540 3.646 ( 8.307 0.000 -9.608) 12.701 3.833 ( -10.252 0.000 -9.602) 14.047 4.453 ( 18.205 0.000 -0.895) 18.227 4.809 ( -17.123 0.000 -0.798) 17.141 5.601 ( 5.761 0.000 5.581) 8.021 5.634 ( 2.656 0.000 6.106) 6.659 6.588 ( 3.883 0.000 5.206) 6.494 6.671 ( -4.327 0.000 3.186) 5.373 12.272 ( 16.178 0.000 0.097) 16.178 12.664 ( -22.804 0.000 1.212) 22.836 13.773 ( 28.831 0.000 -0.208) 28.832 14.332 ( -26.719 0.000 -0.222) 26.720 16.008 ( 9.468 0.000 -4.552) 10.506 16.183 ( -8.018 0.000 -2.175) 8.308 ======================= Grid point 352 (64/140) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 1.120 1.120 18.948) 19.014 1.032 ( 12.326 12.326 8.651) 19.461 1.735 ( 22.933 22.933 9.317) 33.745 2.817 ( -1.143 -1.143 -1.277) 2.059 3.209 ( 12.860 12.860 -13.431) 22.609 3.670 ( 8.043 8.043 0.819) 11.404 3.714 ( 9.380 9.380 1.024) 13.305 4.863 ( -8.257 -8.257 -8.999) 14.742 5.561 ( -12.852 -12.852 4.201) 18.654 5.984 ( 1.222 1.222 -1.408) 2.229 6.478 ( -7.123 -7.123 14.302) 17.493 6.987 ( -0.892 -0.892 -0.540) 1.372 11.278 ( -2.021 -2.021 0.311) 2.875 11.851 ( -1.076 -1.076 0.383) 1.569 13.171 ( 56.513 56.513 -30.424) 85.516 15.856 ( -10.336 -10.336 -0.344) 14.622 15.944 ( -9.650 -9.650 -0.286) 13.650 16.840 ( -9.733 -9.733 5.844) 14.954 ======================= Grid point 353 (65/140) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 8.100 2.867 7.657) 11.509 1.410 ( 22.594 3.121 4.954) 23.341 2.260 ( 27.146 17.361 3.324) 32.394 2.875 ( 6.145 -9.939 -1.490) 11.780 3.428 ( 8.107 12.596 -11.589) 18.939 3.683 ( 0.594 18.650 -2.269) 18.797 4.139 ( 24.517 -0.669 2.294) 24.633 4.650 ( -11.722 -7.991 -4.884) 15.004 5.348 ( -7.666 -5.650 2.975) 9.977 5.928 ( -6.352 8.064 -0.872) 10.302 6.393 ( -1.226 -5.516 12.016) 13.278 6.959 ( -1.899 -0.606 -0.875) 2.177 11.399 ( 12.746 -18.739 0.232) 22.664 11.826 ( -1.112 -1.608 0.402) 1.996 14.133 ( 32.142 28.726 -15.102) 45.677 15.547 ( -17.403 -6.365 -5.367) 19.292 15.690 ( -12.952 -12.624 -3.277) 18.381 16.718 ( -2.373 6.988 3.583) 8.204 ======================= Grid point 354 (66/140) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 17.746 4.409 -4.679) 18.875 1.873 ( 22.535 1.191 3.005) 22.765 2.760 ( 21.406 10.005 -1.749) 23.693 3.029 ( 8.335 -14.365 -3.089) 16.893 3.506 ( -0.099 11.974 -1.207) 12.035 3.751 ( 6.575 18.418 -9.639) 21.803 4.409 ( -9.829 -6.218 -3.706) 12.207 4.652 ( 23.414 -1.877 5.233) 24.065 5.257 ( -1.382 -2.015 1.987) 3.149 5.758 ( -9.999 9.105 -0.125) 13.524 6.402 ( 1.559 -3.769 9.267) 10.125 6.910 ( -2.947 -0.269 -1.088) 3.153 11.725 ( 15.035 -23.372 0.029) 27.790 11.839 ( 6.564 -6.355 0.244) 9.140 14.237 ( -18.985 -2.045 8.883) 21.060 15.312 ( -14.153 -19.603 -2.012) 24.262 15.575 ( 9.502 20.423 -21.091) 30.858 16.699 ( -0.509 14.619 1.709) 14.728 ======================= Grid point 355 (67/140) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 22.489 4.386 -10.889) 25.368 2.292 ( 18.985 1.495 1.688) 19.119 3.074 ( 8.864 3.626 -7.097) 11.920 3.186 ( 7.388 -13.129 -3.362) 15.436 3.466 ( -3.203 11.745 1.235) 12.236 3.936 ( 11.576 14.097 -7.281) 19.640 4.204 ( -10.100 -5.379 -3.445) 11.951 5.096 ( 19.736 -1.163 5.640) 20.559 5.285 ( 2.723 -1.289 2.584) 3.969 5.551 ( -9.323 9.743 0.145) 13.486 6.445 ( 2.612 -2.138 7.583) 8.300 6.842 ( -3.809 -0.013 -0.686) 3.870 11.832 ( 4.007 -5.665 0.066) 6.939 12.250 ( 25.932 -29.425 -0.169) 39.222 13.698 ( -30.089 -7.506 7.188) 31.833 14.942 ( -21.220 -27.119 -0.185) 34.435 15.865 ( 14.784 28.110 -15.310) 35.258 16.674 ( -2.249 19.054 0.404) 19.191 ======================= Grid point 356 (68/140) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 22.847 3.186 -12.161) 26.077 2.627 ( 14.135 1.284 0.060) 14.194 3.119 ( -2.818 0.427 -8.015) 8.507 3.290 ( -0.936 0.194 -1.877) 2.106 3.427 ( 2.718 1.466 -1.543) 3.452 3.971 ( -10.732 -6.469 -5.422) 13.653 4.234 ( 15.323 11.892 -3.503) 19.710 5.191 ( -12.376 4.686 -0.096) 13.234 5.424 ( 12.751 -0.084 5.455) 13.869 5.529 ( 6.117 3.319 3.879) 7.968 6.506 ( 3.478 -1.130 6.187) 7.187 6.759 ( -4.349 0.072 0.617) 4.393 11.961 ( 9.253 -5.547 -0.127) 10.789 12.799 ( 27.898 -32.501 -0.184) 42.832 13.111 ( -27.235 -7.370 3.445) 28.424 14.477 ( -24.952 -30.555 -0.212) 39.450 16.125 ( 11.277 27.667 -8.493) 31.061 16.603 ( -4.775 22.350 -0.789) 22.868 ======================= Grid point 357 (69/140) ======================= q-point: ( 0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 18.484 0.641 -10.931) 21.483 2.807 ( -0.651 -2.500 -6.169) 6.688 3.045 ( 0.214 7.016 -2.375) 7.410 3.170 ( -8.189 7.456 0.073) 11.075 3.560 ( 8.489 -6.270 -5.274) 11.798 3.751 ( -10.506 -6.742 -6.368) 14.014 4.565 ( 16.895 9.700 -2.096) 19.594 4.897 ( -15.983 7.838 -1.204) 17.842 5.607 ( 5.348 0.362 5.217) 7.480 5.634 ( 2.583 0.322 5.198) 5.813 6.583 ( 4.150 -0.488 4.547) 6.175 6.670 ( -4.474 -0.080 2.560) 5.155 12.212 ( 15.898 -5.955 0.085) 16.977 12.598 ( -22.416 -6.546 1.163) 23.382 13.381 ( 28.724 -33.625 -0.228) 44.224 13.948 ( -27.529 -32.864 -0.224) 42.871 16.326 ( 8.860 26.584 -4.512) 28.382 16.485 ( -6.983 24.853 -2.242) 25.913 ======================= Grid point 366 (70/140) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 11.000 11.000 -0.229) 15.558 1.598 ( 14.990 14.990 1.544) 21.256 2.644 ( 19.254 19.254 1.069) 27.251 2.761 ( -1.394 -1.394 1.922) 2.753 3.654 ( 8.927 8.927 -9.450) 15.770 4.102 ( 12.745 12.745 1.101) 18.058 4.146 ( 10.793 10.793 -2.061) 15.403 4.453 ( -10.566 -10.566 -2.139) 15.095 5.259 ( -2.852 -2.852 1.347) 4.253 6.058 ( 2.442 2.442 -2.664) 4.362 6.269 ( -4.466 -4.466 12.449) 13.960 6.939 ( -1.399 -1.399 -1.695) 2.605 11.154 ( -4.234 -4.234 1.055) 6.080 11.787 ( -1.981 -1.981 0.385) 2.828 14.417 ( -5.637 -5.637 8.088) 11.357 15.235 ( -20.519 -20.519 -0.456) 29.022 15.723 ( 15.701 15.701 -24.557) 33.107 16.868 ( 7.365 7.365 1.943) 10.595 ======================= Grid point 367 (71/140) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 18.087 12.218 -7.305) 23.016 1.961 ( 19.809 7.913 -0.098) 21.331 2.803 ( 4.847 -7.619 2.677) 9.419 2.983 ( 13.630 10.734 -3.410) 17.681 3.767 ( 2.314 12.143 -2.008) 12.524 4.120 ( -0.663 15.761 -5.660) 16.760 4.266 ( -6.645 -4.277 -0.170) 7.904 4.611 ( 23.860 -2.016 2.731) 24.100 5.244 ( 1.487 1.094 1.028) 2.113 5.959 ( -9.449 10.066 1.066) 13.847 6.292 ( 4.354 -6.943 6.887) 10.705 6.901 ( -2.456 -0.713 -2.385) 3.497 11.218 ( 9.541 -21.243 0.780) 23.300 11.763 ( 0.127 -3.502 0.327) 3.519 14.038 ( -26.815 -16.949 10.143) 33.305 14.803 ( -22.724 -27.912 -0.299) 35.993 16.125 ( 20.360 28.978 -20.890) 41.117 16.997 ( 5.192 14.064 0.955) 15.022 ======================= Grid point 368 (72/140) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 21.033 10.890 -10.974) 26.104 2.349 ( 18.101 4.109 -1.083) 18.593 2.925 ( 6.611 -9.841 1.584) 11.961 3.173 ( 5.569 3.261 -6.868) 9.424 3.744 ( -4.410 14.116 3.277) 15.148 4.032 ( -7.642 -5.329 -0.000) 9.316 4.278 ( 7.411 14.622 -5.902) 17.423 5.054 ( 19.570 -2.825 4.812) 20.349 5.309 ( 4.160 3.631 1.283) 5.669 5.760 ( -9.355 10.433 1.159) 14.061 6.383 ( 4.511 -3.775 4.893) 7.651 6.841 ( -3.520 -0.156 -2.246) 4.178 11.483 ( 15.052 -29.134 0.106) 32.793 11.826 ( 7.477 -9.070 0.265) 11.757 13.460 ( -29.367 -15.919 6.153) 33.966 14.316 ( -25.855 -33.639 -0.180) 42.428 16.480 ( 14.898 30.393 -13.212) 36.335 17.070 ( 1.997 19.018 0.028) 19.122 ======================= Grid point 369 (73/140) ======================= q-point: ( 0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 20.163 7.889 -11.564) 24.546 2.659 ( 12.012 1.121 -2.940) 12.417 3.042 ( 4.691 -6.472 -1.057) 8.063 3.239 ( 1.840 -1.515 -6.002) 6.458 3.625 ( -6.432 11.916 4.016) 14.124 3.848 ( -10.291 -3.982 0.883) 11.070 4.500 ( 13.608 14.038 -4.368) 20.033 5.280 ( -3.477 3.107 3.569) 5.872 5.425 ( 11.257 1.457 1.996) 11.525 5.643 ( -0.910 7.415 1.820) 7.689 6.474 ( 4.595 -1.936 3.980) 6.380 6.761 ( -4.366 0.056 -1.005) 4.481 11.753 ( 12.172 -18.282 -0.235) 21.964 12.120 ( 21.389 -28.406 0.113) 35.558 12.893 ( -26.586 -14.166 3.011) 30.275 13.770 ( -28.288 -37.746 -0.175) 47.170 16.730 ( 10.275 29.930 -7.910) 32.618 17.076 ( -1.365 22.997 -1.079) 23.062 ======================= Grid point 370 (74/140) ======================= q-point: ( 0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 14.171 3.331 -9.998) 17.660 2.780 ( -1.354 -1.234 -6.985) 7.221 3.136 ( 5.764 1.084 -2.287) 6.295 3.242 ( -2.785 -1.686 -4.445) 5.510 3.543 ( 0.145 6.164 4.224) 7.474 3.646 ( -8.877 -1.601 1.611) 9.163 4.793 ( 15.008 12.375 -2.573) 19.621 5.082 ( -13.283 9.867 -0.642) 16.559 5.611 ( 6.000 0.383 3.691) 7.055 5.662 ( 0.411 2.487 3.368) 4.207 6.569 ( 4.874 -0.829 2.732) 5.649 6.668 ( -4.855 -0.164 0.915) 4.943 12.027 ( 15.910 -13.088 0.056) 20.602 12.402 ( -21.135 -13.034 1.041) 24.853 12.624 ( 26.782 -38.022 -0.078) 46.508 13.192 ( -28.989 -39.799 -0.160) 49.238 16.902 ( 7.095 28.522 -4.623) 29.752 17.018 ( -4.373 26.188 -2.531) 26.671 ======================= Grid point 380 (75/140) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 17.320 17.320 -9.124) 26.138 2.176 ( 12.720 12.720 -1.029) 18.019 2.734 ( 0.841 0.841 5.499) 5.626 3.146 ( 4.898 4.898 -7.643) 10.315 3.955 ( 6.134 6.134 -0.068) 8.675 4.064 ( -7.603 -7.603 4.380) 11.610 4.516 ( 7.246 7.246 -2.261) 10.494 4.638 ( 13.399 13.399 1.295) 18.994 5.304 ( 4.712 4.712 0.553) 6.686 6.104 ( -3.556 -3.556 9.929) 11.130 6.174 ( 3.211 3.211 -3.854) 5.956 6.878 ( -1.647 -1.647 -3.604) 4.291 10.941 ( -6.065 -6.065 0.944) 8.629 11.701 ( -2.356 -2.356 0.282) 3.344 13.605 ( -25.048 -25.048 7.545) 36.217 14.228 ( -29.265 -29.265 -0.321) 41.389 16.649 ( 22.566 22.566 -15.505) 35.481 17.244 ( 10.418 10.418 0.302) 14.736 ======================= Grid point 381 (76/140) ======================= q-point: ( 0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 18.040 14.910 -9.826) 25.383 2.430 ( 11.562 2.795 0.839) 11.925 2.828 ( 7.913 1.274 3.806) 8.873 3.187 ( -0.081 -1.937 -9.409) 9.606 3.900 ( -7.407 -2.138 7.084) 10.470 4.013 ( -2.333 6.446 3.062) 7.508 4.594 ( 6.455 15.749 -3.397) 17.357 5.018 ( 18.589 0.720 3.063) 18.854 5.413 ( 5.533 6.271 0.558) 8.382 5.943 ( -8.525 6.981 4.115) 11.763 6.308 ( 6.657 -3.064 -0.136) 7.330 6.832 ( -2.979 -0.830 -3.848) 4.936 10.963 ( 7.611 -20.104 0.416) 21.501 11.685 ( 1.189 -6.048 0.196) 6.167 13.075 ( -26.889 -21.897 4.616) 34.983 13.629 ( -30.442 -34.384 -0.188) 45.924 17.026 ( 15.222 23.477 -10.704) 29.957 17.411 ( 6.177 14.732 -0.481) 15.982 ======================= Grid point 382 (77/140) ======================= q-point: ( 0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 14.911 9.427 -8.711) 19.675 2.618 ( 7.092 -5.128 2.515) 9.106 3.011 ( 9.185 4.342 -0.935) 10.202 3.180 ( 0.213 -3.904 -7.163) 8.160 3.759 ( -6.400 1.319 6.925) 9.521 3.891 ( -8.625 6.773 4.459) 11.838 4.791 ( 12.183 14.865 -3.138) 19.474 5.312 ( 8.298 1.471 5.035) 9.817 5.507 ( 4.465 5.913 -0.668) 7.439 5.797 ( -5.270 7.358 1.831) 9.233 6.433 ( 5.940 -2.042 0.626) 6.312 6.759 ( -4.299 -0.411 -2.828) 5.163 11.221 ( 17.428 -28.116 -0.064) 33.080 11.765 ( 7.181 -11.929 0.118) 13.924 12.552 ( -24.874 -19.505 2.413) 31.702 13.012 ( -30.618 -37.065 -0.149) 48.076 17.272 ( 9.618 23.578 -7.212) 26.466 17.493 ( 2.014 18.210 -1.541) 18.386 ======================= Grid point 383 (78/140) ======================= q-point: ( 0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 6.613 0.340 -4.856) 8.211 2.709 ( 1.673 -5.956 0.174) 6.189 3.159 ( 5.215 2.958 -5.091) 7.866 3.203 ( 0.963 0.786 -5.172) 5.319 3.665 ( -1.957 4.294 6.854) 8.321 3.719 ( -7.044 6.646 5.806) 11.292 5.050 ( 12.917 13.138 -1.761) 18.508 5.279 ( -8.846 9.669 1.095) 13.151 5.636 ( 6.538 2.364 1.195) 7.054 5.728 ( -2.919 3.920 1.913) 5.249 6.550 ( 5.751 -1.126 0.262) 5.866 6.662 ( -5.290 -0.532 -1.120) 5.433 11.629 ( 22.235 -27.014 -0.009) 34.988 11.992 ( 15.484 -22.202 0.094) 27.068 12.081 ( -21.827 -20.122 0.881) 29.701 12.428 ( -26.545 -34.633 -0.086) 43.635 17.422 ( 5.452 22.725 -4.752) 23.848 17.494 ( -1.803 20.900 -2.937) 21.183 ======================= Grid point 394 (79/140) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 13.237 13.237 -7.587) 20.199 2.461 ( 1.361 1.361 8.025) 8.253 2.961 ( 10.243 10.243 -0.543) 14.496 3.129 ( -2.536 -2.536 -8.410) 9.143 3.838 ( -3.353 -3.353 8.063) 9.353 4.075 ( -1.484 -1.484 4.478) 4.946 4.865 ( 11.139 11.139 -1.367) 15.811 5.141 ( 11.283 11.283 1.726) 16.049 5.539 ( 5.785 5.785 0.532) 8.198 6.001 ( -1.546 -1.546 6.344) 6.710 6.303 ( 3.048 3.048 -4.485) 6.220 6.802 ( -2.263 -2.263 -4.556) 5.568 10.712 ( -4.691 -4.691 0.197) 6.637 11.584 ( -3.689 -3.689 0.150) 5.220 12.608 ( -23.944 -23.944 3.068) 34.001 12.946 ( -33.466 -33.466 -0.135) 47.328 17.418 ( 15.791 15.791 -8.370) 23.848 17.656 ( 9.678 9.678 -1.199) 13.739 ======================= Grid point 395 (80/140) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 2.854 -4.164 10.704) 11.835 2.592 ( 4.999 2.781 -1.954) 6.045 3.129 ( 4.485 3.793 -6.870) 9.039 3.182 ( 9.464 8.042 -4.043) 13.061 3.769 ( -3.258 -0.104 7.176) 7.882 3.972 ( -7.661 0.510 4.973) 9.148 5.087 ( 11.525 14.331 -1.505) 18.452 5.381 ( 10.388 5.678 3.139) 12.247 5.631 ( 3.274 5.941 -0.284) 6.789 5.921 ( -5.282 4.597 2.932) 7.591 6.400 ( 5.832 -0.992 -2.950) 6.611 6.739 ( -4.050 -1.722 -4.014) 5.957 10.769 ( 9.985 -15.747 -0.110) 18.646 11.551 ( 0.820 -9.484 0.142) 9.521 12.132 ( -23.902 -21.554 1.757) 32.233 12.303 ( -29.292 -33.349 -0.085) 44.387 17.669 ( 9.458 16.054 -6.426) 19.710 17.801 ( 4.742 12.417 -2.174) 13.468 ======================= Grid point 396 (81/140) ======================= q-point: ( 0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 3.155 -6.760 9.499) 12.078 2.615 ( -1.510 -5.205 4.837) 7.264 3.257 ( 6.637 7.253 -7.156) 12.160 3.316 ( 2.233 8.300 -6.379) 10.704 3.730 ( 0.412 1.923 6.636) 6.921 3.812 ( -7.152 2.233 5.445) 9.262 5.315 ( 10.557 13.146 -0.583) 16.870 5.468 ( -2.982 9.082 2.533) 9.889 5.706 ( 5.195 4.401 -0.677) 6.843 5.814 ( -5.237 4.529 0.913) 6.983 6.522 ( 6.190 -1.696 -2.126) 6.761 6.641 ( -5.535 -1.611 -2.804) 6.411 11.092 ( 21.502 -23.314 -0.133) 31.716 11.597 ( -26.839 -25.676 0.277) 37.144 11.632 ( 6.310 -16.190 0.247) 17.378 11.857 ( -15.640 -22.977 0.419) 27.798 17.807 ( 4.387 15.632 -4.799) 16.930 17.849 ( 0.136 14.410 -3.387) 14.804 ======================= Grid point 408 (82/140) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -1.037 -1.037 15.935) 16.002 2.576 ( -3.167 -3.167 6.374) 7.790 3.257 ( 8.457 8.457 -7.241) 13.981 3.369 ( 8.766 8.766 -5.721) 13.653 3.754 ( -1.282 -1.282 6.125) 6.387 3.923 ( -4.703 -4.703 4.272) 7.905 5.356 ( 12.226 12.226 -0.493) 17.297 5.523 ( 7.567 7.567 2.588) 11.010 5.732 ( 3.914 3.914 -0.509) 5.559 5.966 ( -0.430 -0.430 2.514) 2.587 6.407 ( 2.056 2.056 -4.541) 5.393 6.685 ( -3.691 -3.691 -4.169) 6.680 10.608 ( -0.234 -0.234 -0.279) 0.433 11.395 ( -5.625 -5.625 0.281) 7.960 11.664 ( -28.552 -28.552 -0.316) 40.379 11.738 ( -18.575 -18.575 1.413) 26.307 17.923 ( 9.383 9.383 -5.605) 14.404 17.992 ( 6.767 6.767 -2.959) 10.017 ======================= Grid point 409 (83/140) ======================= q-point: ( 0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 1.663 -3.874 16.579) 17.107 2.506 ( -3.291 -4.952 13.059) 14.349 3.421 ( 6.899 8.235 -6.503) 12.557 3.487 ( 1.604 8.143 -7.020) 10.871 3.740 ( 1.041 -0.822 5.219) 5.385 3.814 ( -5.427 -1.701 3.616) 6.740 5.564 ( 7.822 11.039 0.903) 13.559 5.633 ( 1.677 6.923 3.097) 7.768 5.801 ( 4.070 4.763 -1.685) 6.488 5.905 ( -5.152 4.242 -0.127) 6.675 6.483 ( 5.132 -1.997 -3.815) 6.700 6.593 ( -5.340 -3.290 -3.726) 7.296 10.749 ( 13.705 -10.430 -0.360) 17.226 11.130 ( -23.562 -19.558 -0.334) 30.624 11.346 ( 1.105 -12.140 0.529) 12.202 11.453 ( -9.806 -17.252 0.900) 19.865 18.053 ( 3.708 9.017 -4.741) 10.841 18.075 ( 1.486 8.169 -3.841) 9.149 ======================= Grid point 422 (84/140) ======================= q-point: ( 0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.541 -0.541 19.875) 19.890 2.431 ( -2.443 -2.443 18.545) 18.864 3.567 ( 5.898 5.898 -5.408) 9.941 3.616 ( 3.220 3.220 -8.169) 9.352 3.710 ( -0.831 -0.831 5.003) 5.139 3.758 ( -3.526 -3.526 1.891) 5.333 5.724 ( 4.078 4.078 2.975) 6.489 5.733 ( 2.716 2.716 3.345) 5.093 5.896 ( 4.775 4.775 -2.794) 7.308 5.956 ( -0.088 -0.088 -1.600) 1.604 6.463 ( 0.718 0.718 -4.389) 4.505 6.516 ( -3.911 -3.911 -4.104) 6.887 10.672 ( 2.378 2.378 -0.637) 3.424 10.819 ( -11.642 -11.642 -0.733) 16.480 11.171 ( -4.408 -4.408 0.916) 6.301 11.197 ( -7.351 -7.351 1.154) 10.459 18.173 ( 3.124 3.124 -4.558) 6.348 18.180 ( 2.429 2.429 -4.248) 5.463 ======================= Grid point 507 (85/140) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 0.000 9.126) 9.126 0.985 ( -0.000 0.000 9.126) 9.126 1.753 ( 0.000 0.000 18.023) 18.023 2.794 ( -0.000 0.000 -2.028) 2.028 2.794 ( 0.000 0.000 -2.028) 2.028 3.514 ( 0.000 0.000 0.464) 0.464 3.514 ( 0.000 0.000 0.464) 0.464 4.812 ( 0.000 0.000 -9.476) 9.476 5.944 ( 0.000 0.000 -0.612) 0.612 5.944 ( 0.000 0.000 -0.612) 0.612 6.913 ( 0.000 0.000 1.639) 1.639 6.999 ( 0.000 0.000 -0.268) 0.268 11.316 ( 0.000 0.000 -0.105) 0.105 11.316 ( 0.000 0.000 -0.105) 0.105 11.877 ( -0.000 0.000 0.227) 0.227 16.059 ( -0.000 -0.000 -0.168) 0.168 16.059 ( 0.000 0.000 -0.168) 0.168 17.264 ( 0.000 0.000 0.338) 0.338 ======================= Grid point 508 (86/140) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 15.904 0.000 7.672) 17.658 1.214 ( 14.360 0.000 14.051) 20.091 1.686 ( -0.048 0.000 6.582) 6.582 2.862 ( 6.636 0.000 -2.011) 6.934 2.866 ( 6.079 0.000 -3.027) 6.791 3.505 ( -0.871 0.000 0.477) 0.993 3.734 ( 19.964 0.000 1.844) 20.049 4.753 ( -5.715 0.000 -8.738) 10.441 5.783 ( -14.496 0.000 0.619) 14.509 5.909 ( -3.481 0.000 -0.608) 3.533 6.754 ( -9.909 0.000 5.042) 11.118 6.988 ( -1.077 0.000 -0.290) 1.115 11.409 ( 9.123 0.000 -0.107) 9.124 11.868 ( -0.696 0.000 0.229) 0.733 12.064 ( 62.417 0.000 -8.762) 63.029 15.973 ( -10.070 0.000 -0.211) 10.072 16.009 ( -5.048 0.000 -0.170) 5.051 17.041 ( -18.908 0.000 1.733) 18.988 ======================= Grid point 509 (87/140) ======================= q-point: ( 0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -5.594 0.000 13.951) 15.031 1.547 ( 20.969 0.000 5.512) 21.681 2.025 ( 27.050 0.000 -5.690) 27.642 3.001 ( 6.822 0.000 -4.851) 8.371 3.051 ( 11.856 0.000 -1.920) 12.011 3.480 ( -1.621 0.000 0.520) 1.703 4.218 ( 25.852 0.000 4.060) 26.169 4.604 ( -8.023 0.000 -6.634) 10.411 5.484 ( -12.639 0.000 1.520) 12.730 5.805 ( -6.856 0.000 -0.595) 6.882 6.624 ( -3.397 0.000 5.847) 6.762 6.956 ( -2.161 0.000 -0.356) 2.190 11.676 ( 17.268 0.000 -0.113) 17.268 11.850 ( -0.853 0.000 0.289) 0.901 13.368 ( 60.407 0.000 -11.759) 61.541 15.576 ( -29.612 0.000 -1.031) 29.630 15.857 ( -10.024 0.000 -0.172) 10.025 16.698 ( -12.049 0.000 1.929) 12.202 ======================= Grid point 510 (88/140) ======================= q-point: ( 0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 5.276 0.000 0.672) 5.318 1.965 ( 20.155 0.000 3.846) 20.518 2.544 ( 22.332 0.000 -7.138) 23.445 3.131 ( 6.149 0.000 -4.759) 7.776 3.308 ( 11.001 0.000 -1.485) 11.101 3.458 ( 1.815 0.000 0.374) 1.854 4.386 ( -9.229 0.000 -3.501) 9.870 4.777 ( 24.430 0.000 4.221) 24.792 5.324 ( -2.889 0.000 0.847) 3.010 5.636 ( -10.022 0.000 -0.578) 10.039 6.590 ( -0.469 0.000 5.357) 5.378 6.903 ( -2.982 0.000 -0.366) 3.005 11.844 ( 0.494 0.000 0.252) 0.554 12.090 ( 23.607 0.000 -0.121) 23.607 14.288 ( 20.690 0.000 5.098) 21.308 14.967 ( -17.907 0.000 -14.242) 22.880 15.607 ( -14.841 0.000 -0.173) 14.842 16.541 ( -5.297 0.000 0.867) 5.368 ======================= Grid point 511 (89/140) ======================= q-point: ( 0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 18.283 0.000 -7.962) 19.942 2.342 ( 17.259 0.000 2.581) 17.451 2.870 ( 9.660 0.000 -8.054) 12.577 3.250 ( 5.799 0.000 -4.021) 7.057 3.332 ( -3.725 0.000 0.267) 3.735 3.701 ( 17.264 0.000 -0.980) 17.291 4.169 ( -12.055 0.000 -4.237) 12.778 5.225 ( 18.984 0.000 5.691) 19.819 5.375 ( 7.804 0.000 0.950) 7.861 5.405 ( -12.872 0.000 -0.562) 12.885 6.596 ( 1.016 0.000 4.822) 4.928 6.840 ( -3.234 0.000 -0.120) 3.236 11.884 ( 3.853 0.000 0.094) 3.854 12.608 ( 27.637 0.000 -0.129) 27.638 13.916 ( -34.355 0.000 7.380) 35.138 15.239 ( 23.642 0.000 -12.949) 26.956 15.264 ( -19.373 0.000 -0.171) 19.374 16.440 ( -5.387 0.000 0.079) 5.387 ======================= Grid point 512 (90/140) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 24.023 0.000 -9.796) 25.943 2.655 ( 13.907 0.000 1.662) 14.006 2.933 ( -3.066 0.000 -7.378) 7.990 3.233 ( -5.977 0.000 0.503) 5.998 3.366 ( 5.795 0.000 -4.562) 7.375 3.912 ( -13.145 0.000 -5.874) 14.397 4.065 ( 18.582 0.000 -0.815) 18.600 5.122 ( -15.297 0.000 -0.555) 15.307 5.518 ( 11.402 0.000 4.459) 12.243 5.594 ( 10.997 0.000 3.245) 11.466 6.627 ( 1.924 0.000 4.168) 4.591 6.777 ( -3.009 0.000 0.599) 3.068 12.014 ( 9.440 0.000 -0.062) 9.440 13.183 ( 29.282 0.000 -0.138) 29.283 13.246 ( -31.167 0.000 2.968) 31.308 14.833 ( -23.426 0.000 -0.166) 23.427 15.644 ( 16.747 0.000 -6.409) 17.931 16.314 ( -7.325 0.000 -0.639) 7.353 ======================= Grid point 513 (91/140) ======================= q-point: ( 0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 22.458 0.000 -8.471) 24.003 2.755 ( -14.464 0.000 -7.047) 16.089 2.902 ( 10.800 0.000 1.065) 10.852 3.091 ( -8.168 0.000 0.714) 8.199 3.492 ( 7.136 0.000 -5.945) 9.288 3.667 ( -10.611 0.000 -6.833) 12.621 4.437 ( 18.340 0.000 -0.652) 18.351 4.795 ( -17.171 0.000 -0.575) 17.181 5.699 ( 6.024 0.000 4.117) 7.296 5.736 ( 2.655 0.000 4.087) 4.873 6.670 ( 2.345 0.000 3.144) 3.922 6.720 ( -2.643 0.000 1.805) 3.201 12.274 ( 16.688 0.000 0.090) 16.688 12.686 ( -24.355 0.000 0.944) 24.373 13.769 ( 28.819 0.000 -0.147) 28.820 14.328 ( -26.708 0.000 -0.157) 26.708 15.929 ( 12.157 0.000 -3.235) 12.580 16.145 ( -9.502 0.000 -1.588) 9.634 ======================= Grid point 521 (92/140) ======================= q-point: ( 0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 8.714 8.714 5.538) 13.511 1.312 ( -2.000 -2.000 19.242) 19.449 1.812 ( 16.416 16.416 -2.078) 23.309 2.794 ( -0.024 -0.024 -0.928) 0.928 3.043 ( 10.382 10.382 -4.533) 15.366 3.684 ( 8.159 8.159 0.564) 11.552 3.755 ( 9.969 9.969 2.562) 14.330 4.693 ( -5.697 -5.697 -7.770) 11.194 5.610 ( -12.060 -12.060 1.387) 17.111 5.959 ( 0.775 0.775 -1.014) 1.493 6.665 ( -6.548 -6.548 5.879) 10.969 6.977 ( -1.114 -1.114 -0.382) 1.621 11.283 ( -1.677 -1.677 0.218) 2.381 11.858 ( -1.044 -1.044 0.272) 1.501 12.788 ( 55.018 55.018 -11.599) 78.666 15.850 ( -10.409 -10.409 -0.243) 14.722 15.939 ( -10.265 -10.265 -0.228) 14.519 16.909 ( -10.055 -10.055 1.984) 14.358 ======================= Grid point 522 (93/140) ======================= q-point: ( 0.15 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -4.390 -2.704 11.019) 12.165 1.491 ( 20.274 -0.402 3.089) 20.512 2.247 ( 23.415 17.350 -4.008) 29.417 2.854 ( 5.511 -5.920 -0.597) 8.110 3.262 ( 11.136 12.243 -5.132) 17.328 3.679 ( -1.981 18.372 0.627) 18.489 4.200 ( 25.611 -1.755 3.612) 25.924 4.547 ( -7.891 -5.379 -5.251) 10.898 5.389 ( -8.823 -6.694 1.295) 11.151 5.907 ( -5.781 7.119 -1.053) 9.231 6.565 ( -2.848 -5.420 5.885) 8.493 6.944 ( -2.188 -1.172 -0.602) 2.554 11.404 ( 12.516 -17.803 0.204) 21.763 11.833 ( -1.128 -1.614 0.284) 1.990 13.900 ( 50.357 41.705 -8.504) 65.935 15.467 ( -28.484 -10.196 -2.685) 30.373 15.660 ( -14.336 -18.257 -0.682) 23.223 16.763 ( -3.797 5.696 1.381) 6.983 ======================= Grid point 523 (94/140) ======================= q-point: ( 0.23 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.318 1.790 -0.783) 7.575 1.921 ( 21.325 -1.989 1.799) 21.493 2.672 ( 17.690 10.293 -5.878) 21.294 2.992 ( 7.686 -8.461 -0.859) 11.463 3.473 ( 8.015 12.263 -1.672) 14.745 3.652 ( 1.480 16.964 -1.797) 17.123 4.347 ( -9.044 -3.511 -2.420) 9.999 4.745 ( 24.812 -2.988 4.039) 25.315 5.284 ( -1.297 -2.443 0.768) 2.871 5.746 ( -9.743 9.104 -0.794) 13.358 6.543 ( 0.217 -4.624 5.096) 6.885 6.891 ( -2.957 -1.158 -0.754) 3.264 11.726 ( 15.216 -23.349 0.071) 27.870 11.843 ( 6.064 -5.821 0.187) 8.408 14.446 ( -14.037 2.434 12.973) 19.268 15.107 ( 11.938 18.472 -19.283) 29.250 15.349 ( -16.149 -20.004 -2.090) 25.794 16.720 ( -1.491 14.100 0.646) 14.193 ======================= Grid point 524 (95/140) ======================= q-point: ( 0.31 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 18.636 3.875 -8.306) 20.768 2.318 ( 17.791 -1.332 0.857) 17.862 2.926 ( 7.490 4.196 -6.529) 10.786 3.145 ( 7.101 -7.606 -1.483) 10.510 3.486 ( -3.715 13.758 0.832) 14.275 3.843 ( 14.425 11.676 -2.698) 18.753 4.141 ( -11.206 -2.143 -2.778) 11.742 5.201 ( 19.556 -2.244 4.935) 20.293 5.322 ( 2.906 -1.339 0.954) 3.339 5.546 ( -8.006 9.606 -0.436) 12.513 6.563 ( 1.633 -3.315 4.424) 5.765 6.829 ( -3.171 -1.052 -0.566) 3.389 11.833 ( 3.799 -5.804 0.052) 6.938 12.248 ( 25.850 -29.066 -0.050) 38.898 13.834 ( -34.770 -8.640 6.231) 36.366 14.940 ( -21.320 -27.042 -0.001) 34.436 15.594 ( 22.793 29.968 -11.613) 39.401 16.677 ( -3.121 18.856 0.023) 19.113 ======================= Grid point 525 (96/140) ======================= q-point: ( 0.38 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 23.209 3.161 -9.882) 25.422 2.619 ( 11.476 -2.058 -0.774) 11.685 2.991 ( -0.082 3.839 -4.723) 6.087 3.246 ( 1.277 -4.138 -2.181) 4.849 3.414 ( -1.405 10.305 -0.089) 10.400 3.882 ( -12.446 -1.926 -3.386) 13.041 4.180 ( 16.915 10.045 -2.116) 19.786 5.182 ( -13.490 5.488 -0.529) 14.573 5.528 ( 11.899 -0.235 4.864) 12.857 5.590 ( 8.626 1.025 2.025) 8.919 6.604 ( 2.376 -2.242 3.763) 4.983 6.767 ( -2.989 -0.956 0.173) 3.143 11.959 ( 9.195 -5.604 -0.084) 10.769 12.797 ( 28.253 -32.504 -0.005) 43.067 13.171 ( -30.412 -7.643 2.555) 31.461 14.473 ( -24.991 -30.522 -0.138) 39.448 15.979 ( 15.840 28.191 -6.070) 32.901 16.588 ( -5.775 22.213 -0.668) 22.961 ======================= Grid point 526 (97/140) ======================= q-point: ( 0.46 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 20.528 0.784 -8.465) 22.218 2.682 ( -7.773 -3.264 -5.680) 10.165 3.021 ( 5.665 6.986 -0.616) 9.016 3.166 ( -7.166 4.569 -0.422) 8.510 3.478 ( 6.312 0.903 -2.988) 7.042 3.645 ( -10.391 -1.113 -4.205) 11.264 4.531 ( 17.600 8.557 -1.317) 19.615 4.875 ( -16.517 7.413 -0.942) 18.129 5.700 ( 5.169 -0.024 3.980) 6.524 5.723 ( 3.100 -1.096 3.576) 4.858 6.655 ( 2.645 -1.490 2.761) 4.103 6.709 ( -2.771 -1.058 1.417) 3.287 12.214 ( 16.405 -5.977 0.079) 17.460 12.619 ( -23.910 -6.625 0.909) 24.827 13.377 ( 28.762 -33.591 -0.187) 44.223 13.944 ( -27.537 -32.831 -0.161) 42.851 16.248 ( 11.371 26.565 -3.197) 29.073 16.446 ( -8.443 24.706 -1.622) 26.159 ======================= Grid point 535 (98/140) ======================= q-point: ( 0.15 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 2.550 2.550 4.098) 5.459 1.622 ( 12.937 12.937 0.860) 18.316 2.603 ( 16.600 16.600 -4.356) 23.876 2.797 ( 0.272 0.272 1.559) 1.606 3.505 ( 11.775 11.775 -5.136) 17.426 4.121 ( 12.855 12.855 0.783) 18.197 4.168 ( 9.592 9.592 2.890) 13.869 4.413 ( -7.231 -7.231 -1.988) 10.417 5.280 ( -3.424 -3.424 0.803) 4.908 6.011 ( 1.849 1.849 -1.944) 3.258 6.445 ( -5.062 -5.062 5.967) 9.320 6.910 ( -2.168 -2.168 -1.202) 3.293 11.172 ( -4.044 -4.044 0.744) 5.768 11.794 ( -2.011 -2.011 0.272) 2.857 14.600 ( 11.871 11.871 10.864) 19.997 15.228 ( -20.520 -20.520 -0.323) 29.021 15.287 ( 2.543 2.543 -20.237) 20.554 16.893 ( 6.625 6.625 0.792) 9.402 ======================= Grid point 536 (99/140) ======================= q-point: ( 0.23 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 11.841 9.512 -3.649) 15.620 1.957 ( 18.927 6.179 -0.254) 19.912 2.844 ( 5.484 -0.364 0.388) 5.510 2.889 ( 9.934 4.595 -4.137) 11.701 3.726 ( 9.536 12.199 -1.799) 15.588 4.073 ( -3.220 22.973 -0.400) 23.201 4.267 ( -7.030 -3.714 0.146) 7.952 4.667 ( 25.258 -4.376 2.762) 25.783 5.265 ( 2.001 1.029 0.901) 2.424 5.945 ( -7.772 9.962 -1.366) 12.709 6.411 ( 1.429 -8.242 4.601) 9.547 6.859 ( -2.800 -1.975 -1.719) 3.834 11.232 ( 9.044 -20.707 0.575) 22.603 11.769 ( 0.063 -3.521 0.231) 3.530 14.235 ( -31.831 -19.747 9.414) 38.623 14.800 ( -22.521 -28.180 -0.053) 36.074 15.752 ( 28.741 34.210 -16.365) 47.583 17.009 ( 4.568 13.634 0.371) 14.384 ======================= Grid point 537 (100/140) ======================= q-point: ( 0.31 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 18.636 11.392 -8.277) 23.359 2.330 ( 17.215 3.061 -0.849) 17.506 2.951 ( 4.774 -3.263 0.687) 5.823 3.047 ( 5.968 -0.703 -5.167) 7.925 3.800 ( -3.230 15.376 2.251) 15.872 4.052 ( -4.467 2.484 2.036) 5.502 4.180 ( 5.334 12.974 -4.421) 14.708 5.134 ( 20.676 -4.218 3.357) 21.367 5.341 ( 4.133 3.293 1.506) 5.495 5.759 ( -9.169 11.105 -0.679) 14.418 6.466 ( 3.486 -6.195 3.284) 7.831 6.801 ( -2.974 -1.685 -1.689) 3.813 11.485 ( 14.492 -28.666 0.113) 32.121 11.830 ( 7.457 -9.143 0.198) 11.800 13.570 ( -32.931 -17.331 4.721) 37.511 14.313 ( -25.871 -33.711 -0.078) 42.494 16.252 ( 20.716 32.608 -9.518) 39.787 17.068 ( 1.228 18.714 -0.132) 18.755 ======================= Grid point 538 (101/140) ======================= q-point: ( 0.38 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 20.791 9.400 -9.126) 24.575 2.611 ( 9.750 1.466 -1.898) 10.041 3.022 ( 2.737 -1.169 -1.015) 3.144 3.143 ( 3.490 -4.472 -3.595) 6.716 3.689 ( -5.972 14.449 2.501) 15.834 3.870 ( -10.709 1.119 1.150) 10.828 4.427 ( 15.272 14.117 -2.943) 21.005 5.314 ( -8.475 6.992 0.508) 10.998 5.485 ( 13.721 -2.850 3.256) 14.387 5.671 ( 1.570 6.295 1.114) 6.583 6.540 ( 3.727 -4.068 2.582) 6.091 6.741 ( -2.972 -1.532 -0.926) 3.470 11.750 ( 12.171 -18.306 -0.150) 21.983 12.123 ( 21.201 -28.193 0.127) 35.276 12.945 ( -28.846 -14.660 2.179) 32.431 13.768 ( -28.298 -37.724 -0.118) 47.158 16.594 ( 13.842 30.480 -5.602) 33.941 17.056 ( -2.390 22.699 -0.829) 22.839 ======================= Grid point 539 (102/140) ======================= q-point: ( 0.46 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 16.784 5.606 -7.412) 19.185 2.668 ( -4.912 1.683 -4.372) 6.788 3.093 ( 4.598 -0.035 -1.913) 4.980 3.167 ( -1.529 -3.359 -3.043) 4.783 3.609 ( -0.899 10.465 2.522) 10.803 3.677 ( -7.367 4.670 1.385) 8.832 4.748 ( 16.221 12.460 -1.865) 20.539 5.063 ( -14.849 10.712 -1.015) 18.338 5.682 ( 5.815 -1.442 3.169) 6.778 5.723 ( 1.308 1.240 2.567) 3.137 6.613 ( 3.525 -2.620 1.674) 4.700 6.680 ( -3.167 -1.785 0.366) 3.654 12.028 ( 16.432 -13.119 0.056) 21.026 12.422 ( -22.606 -13.088 0.864) 26.135 12.622 ( 26.895 -37.941 -0.150) 46.507 13.189 ( -28.964 -39.747 -0.117) 49.181 16.823 ( 9.286 28.394 -3.270) 30.052 16.974 ( -5.812 25.882 -1.812) 26.588 ======================= Grid point 549 (103/140) ======================= q-point: ( 0.23 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 15.485 15.485 -6.253) 22.774 2.159 ( 13.114 13.114 -0.723) 18.561 2.829 ( 1.511 1.511 3.913) 4.458 2.993 ( 3.208 3.208 -6.983) 8.327 3.950 ( 9.611 9.611 -0.237) 13.595 4.160 ( -5.250 -5.250 4.348) 8.604 4.488 ( 6.666 6.666 -0.610) 9.446 4.661 ( 13.525 13.525 0.981) 19.152 5.328 ( 5.000 5.000 1.347) 7.199 6.106 ( 2.767 2.767 -2.880) 4.859 6.248 ( -4.608 -4.608 5.003) 8.216 6.815 ( -2.414 -2.414 -2.655) 4.325 10.958 ( -6.324 -6.324 0.664) 8.968 11.706 ( -2.414 -2.414 0.199) 3.419 13.741 ( -28.124 -28.124 5.891) 40.207 14.222 ( -29.165 -29.165 -0.227) 41.246 16.381 ( 27.391 27.391 -11.213) 40.327 17.247 ( 9.911 9.911 0.063) 14.017 ======================= Grid point 550 (104/140) ======================= q-point: ( 0.31 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 17.785 16.091 -7.609) 25.162 2.440 ( 13.722 7.418 0.260) 15.601 2.899 ( 4.832 -0.348 3.211) 5.812 3.031 ( 1.309 -1.546 -6.237) 6.558 4.026 ( -6.123 1.696 5.281) 8.262 4.065 ( -1.519 5.570 2.307) 6.217 4.532 ( 5.558 18.291 -2.755) 19.314 5.067 ( 20.245 -0.867 1.975) 20.359 5.441 ( 5.307 6.217 1.652) 8.339 5.974 ( -9.693 9.887 -0.127) 13.846 6.323 ( 6.491 -7.718 1.271) 10.164 6.764 ( -2.651 -1.969 -2.883) 4.384 10.970 ( 7.094 -20.116 0.301) 21.333 11.688 ( 1.108 -6.098 0.140) 6.199 13.156 ( -29.233 -23.359 3.388) 37.572 13.625 ( -30.365 -34.359 -0.127) 45.854 16.842 ( 18.795 25.627 -7.604) 32.677 17.402 ( 5.440 14.260 -0.412) 15.268 ======================= Grid point 551 (105/140) ======================= q-point: ( 0.38 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 17.130 13.324 -6.849) 22.757 2.665 ( 7.750 3.212 2.019) 8.629 2.995 ( 4.264 0.045 -0.581) 4.303 3.070 ( 2.686 -2.758 -4.261) 5.743 3.883 ( -6.930 2.855 5.536) 9.318 3.959 ( -7.815 7.955 2.298) 11.386 4.734 ( 13.058 16.132 -2.463) 20.900 5.401 ( 9.133 0.429 4.023) 9.989 5.499 ( 2.134 6.066 -0.631) 6.461 5.817 ( -4.682 7.654 0.471) 8.985 6.447 ( 5.761 -4.989 0.690) 7.652 6.708 ( -3.020 -1.814 -2.208) 4.158 11.220 ( 17.194 -28.035 -0.031) 32.887 11.767 ( 7.146 -11.975 0.089) 13.946 12.594 ( -26.460 -20.047 1.732) 33.242 13.009 ( -30.610 -37.044 -0.106) 48.055 17.148 ( 12.106 24.218 -5.104) 27.552 17.466 ( 0.989 17.761 -1.122) 17.824 ======================= Grid point 552 (106/140) ======================= q-point: ( 0.46 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 11.774 8.095 -3.354) 14.676 2.725 ( -2.022 3.065 1.266) 3.885 3.072 ( 3.398 -0.574 -3.539) 4.940 3.110 ( 0.251 -0.838 -4.285) 4.374 3.781 ( -2.302 5.362 4.778) 7.541 3.814 ( -5.341 7.636 3.707) 10.029 5.015 ( 14.356 13.968 -1.559) 20.090 5.287 ( -12.046 11.337 -0.064) 16.542 5.667 ( 7.745 0.290 1.578) 7.910 5.765 ( -2.487 2.860 1.671) 4.142 6.553 ( 4.827 -3.255 0.092) 5.822 6.640 ( -3.802 -2.208 -1.005) 4.510 11.629 ( 22.627 -27.099 0.007) 35.304 11.994 ( 15.837 -22.169 0.120) 27.245 12.095 ( -23.331 -20.284 0.577) 30.921 12.426 ( -26.414 -34.462 -0.058) 43.420 17.340 ( 7.232 22.640 -3.364) 24.004 17.444 ( -3.148 20.533 -2.089) 20.878 ======================= Grid point 563 (107/140) ======================= q-point: ( 0.31 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 15.995 15.995 -6.252) 23.469 2.597 ( 7.447 7.447 5.535) 11.898 2.953 ( 5.426 5.426 -0.331) 7.680 3.001 ( -0.726 -0.726 -4.676) 4.787 3.983 ( -3.597 -3.597 6.513) 8.264 4.141 ( -0.749 -0.749 2.179) 2.423 4.833 ( 11.447 11.447 -1.575) 16.265 5.173 ( 11.619 11.619 1.420) 16.493 5.566 ( 5.555 5.555 1.658) 8.028 6.094 ( -2.921 -2.921 3.313) 5.295 6.222 ( 2.871 2.871 -3.474) 5.343 6.721 ( -2.339 -2.339 -3.436) 4.770 10.715 ( -4.990 -4.990 0.140) 7.058 11.587 ( -3.720 -3.720 0.105) 5.262 12.661 ( -25.183 -25.183 2.208) 35.682 12.944 ( -33.445 -33.445 -0.096) 47.298 17.275 ( 17.623 17.623 -5.936) 25.620 17.635 ( 8.976 8.976 -0.875) 12.724 ======================= Grid point 564 (108/140) ======================= q-point: ( 0.38 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 11.972 11.492 -1.943) 16.709 2.718 ( 4.347 2.059 10.479) 11.530 3.016 ( 2.887 1.425 -4.488) 5.523 3.090 ( 6.641 5.753 -5.647) 10.445 3.900 ( -4.152 -0.687 5.901) 7.248 4.050 ( -7.080 0.553 2.778) 7.626 5.056 ( 11.709 15.434 -1.462) 19.428 5.439 ( 12.409 4.396 2.589) 13.416 5.636 ( 0.834 6.438 0.411) 6.505 5.957 ( -7.296 5.669 0.951) 9.288 6.351 ( 7.091 -3.995 -1.857) 8.348 6.667 ( -3.167 -2.321 -3.080) 4.990 10.767 ( 9.814 -15.885 -0.077) 18.672 11.554 ( 0.854 -9.411 0.102) 9.450 12.162 ( -25.254 -22.283 1.219) 33.702 12.302 ( -28.916 -33.127 -0.027) 43.972 17.559 ( 10.969 16.739 -4.557) 20.525 17.763 ( 3.806 11.815 -1.547) 12.509 ======================= Grid point 565 (109/140) ======================= q-point: ( 0.46 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 5.201 4.382 5.922) 9.018 2.764 ( 0.143 0.966 10.526) 10.571 3.109 ( 5.432 5.043 -7.743) 10.719 3.171 ( 0.467 6.333 -8.522) 10.627 3.847 ( -0.255 1.148 5.012) 5.148 3.908 ( -5.971 1.560 3.931) 7.317 5.300 ( 12.068 14.113 -0.867) 18.589 5.509 ( -7.306 10.461 1.514) 12.849 5.700 ( 7.602 3.004 -0.050) 8.174 5.832 ( -5.597 3.720 0.922) 6.784 6.484 ( 6.026 -3.589 -1.620) 7.198 6.590 ( -4.525 -2.784 -2.228) 5.761 11.089 ( 21.637 -23.474 -0.097) 31.924 11.602 ( -27.956 -26.458 0.203) 38.492 11.635 ( 6.954 -15.840 0.139) 17.300 11.865 ( -15.699 -22.468 0.335) 27.411 17.724 ( 5.680 15.631 -3.402) 16.975 17.791 ( -0.991 14.020 -2.401) 14.258 ======================= Grid point 577 (110/140) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 4.942 4.942 7.260) 10.077 2.755 ( 1.726 1.726 15.678) 15.867 3.102 ( 7.130 7.130 -8.472) 13.169 3.230 ( 6.817 6.817 -8.872) 13.102 3.866 ( -2.306 -2.306 5.085) 6.041 3.997 ( -4.984 -4.984 2.884) 7.616 5.340 ( 12.866 12.866 -0.845) 18.214 5.572 ( 8.010 8.010 2.201) 11.540 5.734 ( 2.994 2.994 0.451) 4.257 6.004 ( -1.834 -1.834 1.431) 2.962 6.324 ( 2.067 2.067 -3.684) 4.703 6.610 ( -3.471 -3.471 -3.237) 5.880 10.603 ( -0.364 -0.364 -0.205) 0.554 11.400 ( -5.455 -5.455 0.204) 7.718 11.658 ( -28.721 -28.721 -0.225) 40.619 11.762 ( -18.892 -18.892 1.001) 26.736 17.826 ( 10.103 10.103 -3.977) 14.830 17.941 ( 6.044 6.044 -2.095) 8.801 ======================= Grid point 578 (111/140) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 1.554 1.498 14.051) 14.215 2.780 ( 0.431 0.760 16.568) 16.591 3.254 ( 6.561 8.180 -10.606) 14.914 3.318 ( 0.892 7.244 -10.603) 12.872 3.835 ( 0.107 -1.913 4.176) 4.594 3.888 ( -4.883 -2.910 3.356) 6.601 5.570 ( 9.712 12.540 -0.082) 15.862 5.691 ( -0.129 7.306 2.786) 7.821 5.776 ( 4.415 4.068 -1.043) 6.093 5.905 ( -6.741 3.216 0.220) 7.472 6.413 ( 5.717 -3.204 -3.063) 7.234 6.525 ( -5.038 -3.836 -2.982) 6.999 10.742 ( 13.689 -10.665 -0.269) 17.355 11.124 ( -23.599 -20.016 -0.254) 30.946 11.355 ( 1.374 -11.837 0.383) 11.923 11.469 ( -10.188 -16.918 0.653) 19.760 17.971 ( 4.471 9.117 -3.362) 10.697 18.009 ( 0.709 7.793 -2.721) 8.285 ======================= Grid point 591 (112/140) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.663 0.663 18.252) 18.276 2.793 ( 0.377 0.377 19.188) 19.195 3.397 ( 5.139 5.139 -11.422) 13.538 3.426 ( 2.568 2.568 -11.636) 12.190 3.796 ( -1.061 -1.061 3.563) 3.866 3.819 ( -3.141 -3.141 3.114) 5.425 5.774 ( 5.994 5.994 2.050) 8.720 5.796 ( 2.924 2.924 2.861) 5.028 5.848 ( 4.040 4.040 -2.052) 6.071 5.932 ( -1.654 -1.654 -0.753) 2.457 6.381 ( 0.744 0.744 -3.721) 3.867 6.440 ( -4.270 -4.270 -3.404) 6.931 10.661 ( 2.168 2.168 -0.464) 3.101 10.806 ( -11.772 -11.772 -0.518) 16.656 11.187 ( -4.084 -4.084 0.653) 5.812 11.217 ( -7.349 -7.349 0.810) 10.425 18.095 ( 3.338 3.338 -3.232) 5.721 18.107 ( 2.114 2.114 -3.010) 4.242 ======================= Grid point 676 (113/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 0.000 0.000) 0.000 1.075 ( -0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.773 ( -0.000 -0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.519 ( -0.000 -0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 16.058 ( 0.000 0.000 0.000) 0.000 16.058 ( -0.000 -0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 678 (114/140) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 14.851 0.000 0.000) 14.851 1.363 ( 25.014 0.000 0.000) 25.014 1.738 ( -16.091 0.000 0.000) 16.091 2.841 ( 6.660 0.000 0.000) 6.660 2.843 ( 5.452 0.000 0.000) 5.452 3.510 ( -0.858 0.000 0.000) 0.858 3.756 ( 21.328 0.000 0.000) 21.328 4.661 ( -5.033 0.000 0.000) 5.033 5.787 ( -13.592 0.000 0.000) 13.592 5.903 ( -3.476 0.000 0.000) 3.476 6.799 ( -8.572 0.000 0.000) 8.572 6.985 ( -1.099 0.000 0.000) 1.099 11.408 ( 9.121 0.000 0.000) 9.121 11.871 ( -0.436 0.000 0.000) 0.436 11.986 ( 57.508 0.000 0.000) 57.508 15.971 ( -10.102 0.000 0.000) 10.102 16.007 ( -5.049 0.000 0.000) 5.049 17.056 ( -18.167 0.000 0.000) 18.167 ======================= Grid point 680 (115/140) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -14.609 0.000 0.000) 14.609 1.602 ( 20.035 0.000 0.000) 20.035 1.932 ( 29.156 0.000 -0.000) 29.156 2.963 ( 6.392 0.000 0.000) 6.392 3.031 ( 11.941 0.000 0.000) 11.941 3.485 ( -1.595 0.000 0.000) 1.595 4.270 ( 27.881 0.000 0.000) 27.881 4.527 ( -7.881 0.000 0.000) 7.881 5.498 ( -12.823 0.000 0.000) 12.823 5.799 ( -6.849 0.000 0.000) 6.849 6.679 ( -3.476 0.000 0.000) 3.476 6.952 ( -2.189 0.000 0.000) 2.189 11.675 ( 17.264 0.000 0.000) 17.264 11.853 ( -0.844 0.000 0.000) 0.844 13.258 ( 62.382 0.000 0.000) 62.382 15.566 ( -30.993 0.000 0.000) 30.993 15.856 ( -10.025 0.000 0.000) 10.025 16.716 ( -12.501 0.000 0.000) 12.501 ======================= Grid point 682 (116/140) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -1.495 0.000 0.000) 1.495 2.004 ( 19.430 0.000 0.000) 19.430 2.460 ( 22.151 0.000 0.000) 22.151 3.093 ( 6.395 0.000 0.000) 6.395 3.292 ( 11.784 0.000 0.000) 11.784 3.462 ( 1.222 0.000 0.000) 1.222 4.351 ( -9.758 0.000 0.000) 9.758 4.820 ( 26.102 0.000 0.000) 26.102 5.330 ( -3.180 0.000 0.000) 3.180 5.630 ( -10.013 0.000 0.000) 10.013 6.641 ( -0.687 0.000 0.000) 0.687 6.900 ( -2.949 0.000 0.000) 2.949 11.846 ( 0.443 0.000 0.000) 0.443 12.088 ( 23.603 0.000 0.000) 23.603 14.354 ( 45.787 0.000 0.000) 45.787 14.812 ( -41.103 0.000 0.000) 41.103 15.606 ( -14.841 0.000 0.000) 14.841 16.549 ( -5.723 0.000 0.000) 5.723 ======================= Grid point 684 (117/140) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 15.623 0.000 0.000) 15.623 2.368 ( 16.707 0.000 0.000) 16.707 2.786 ( 9.939 0.000 0.000) 9.939 3.215 ( 5.677 0.000 0.000) 5.677 3.334 ( -3.507 0.000 0.000) 3.507 3.691 ( 17.261 0.000 0.000) 17.261 4.126 ( -12.718 0.000 0.000) 12.718 5.292 ( 20.419 0.000 -0.000) 20.419 5.375 ( 7.039 0.000 0.000) 7.039 5.400 ( -12.865 0.000 0.000) 12.865 6.643 ( 0.789 0.000 0.000) 0.789 6.839 ( -3.033 0.000 0.000) 3.033 11.885 ( 3.756 0.000 0.000) 3.756 12.607 ( 27.633 0.000 0.000) 27.633 13.998 ( -38.907 0.000 0.000) 38.907 15.102 ( 29.548 0.000 0.000) 29.548 15.262 ( -19.371 0.000 0.000) 19.371 16.440 ( -5.724 0.000 0.000) 5.724 ======================= Grid point 686 (118/140) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 24.235 0.000 0.000) 24.235 2.672 ( 13.528 0.000 0.000) 13.528 2.859 ( -2.530 0.000 0.000) 2.530 3.238 ( -5.885 0.000 0.000) 5.885 3.322 ( 5.166 0.000 0.000) 5.166 3.852 ( -13.993 0.000 0.000) 13.993 4.057 ( 18.686 0.000 0.000) 18.686 5.116 ( -15.298 0.000 0.000) 15.298 5.565 ( 10.469 0.000 -0.000) 10.469 5.624 ( 12.330 0.000 0.000) 12.330 6.668 ( 1.552 0.000 0.000) 1.552 6.782 ( -2.539 0.000 0.000) 2.539 12.013 ( 9.408 0.000 0.000) 9.408 13.181 ( 29.278 0.000 0.000) 29.278 13.277 ( -32.680 0.000 0.000) 32.680 14.831 ( -23.422 0.000 0.000) 23.422 15.579 ( 19.003 0.000 0.000) 19.003 16.307 ( -7.706 0.000 0.000) 7.706 ======================= Grid point 688 (119/140) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 23.478 0.000 0.000) 23.478 2.684 ( -14.866 0.000 0.000) 14.866 2.913 ( 10.569 0.000 0.000) 10.569 3.099 ( -8.035 0.000 0.000) 8.035 3.434 ( 6.356 0.000 0.000) 6.356 3.599 ( -10.524 0.000 0.000) 10.524 4.431 ( 18.401 0.000 0.000) 18.401 4.789 ( -17.193 0.000 0.000) 17.193 5.741 ( 5.994 0.000 0.000) 5.994 5.777 ( 2.809 0.000 0.000) 2.809 6.701 ( 1.714 0.000 0.000) 1.714 6.737 ( -1.950 0.000 0.000) 1.950 12.275 ( 16.909 0.000 0.000) 16.909 12.696 ( -25.042 0.000 0.000) 25.042 13.768 ( 28.814 0.000 0.000) 28.814 14.327 ( -26.703 0.000 0.000) 26.703 15.897 ( 13.279 0.000 0.000) 13.279 16.129 ( -10.099 0.000 0.000) 10.099 ======================= Grid point 704 (120/140) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 7.370 7.370 0.000) 10.422 1.589 ( -12.569 -12.569 0.000) 17.775 1.700 ( 23.389 23.389 -0.000) 33.078 2.785 ( 0.499 0.499 0.000) 0.706 3.006 ( 9.545 9.545 0.000) 13.498 3.690 ( 8.208 8.208 0.000) 11.608 3.785 ( 10.759 10.759 0.000) 15.215 4.610 ( -4.780 -4.780 0.000) 6.760 5.622 ( -11.702 -11.702 0.000) 16.549 5.949 ( 0.585 0.585 0.000) 0.828 6.719 ( -6.120 -6.120 0.000) 8.655 6.973 ( -1.202 -1.202 0.000) 1.699 11.286 ( -1.534 -1.534 0.000) 2.170 11.860 ( -1.030 -1.030 0.000) 1.457 12.683 ( 53.677 53.677 0.000) 75.911 15.848 ( -10.439 -10.439 0.000) 14.763 15.937 ( -10.416 -10.416 0.000) 14.731 16.927 ( -10.053 -10.053 0.000) 14.217 ======================= Grid point 706 (121/140) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -11.045 -6.093 0.000) 12.614 1.520 ( 19.528 -1.512 0.000) 19.586 2.186 ( 23.647 18.406 0.000) 29.966 2.850 ( 5.496 -4.567 0.000) 7.146 3.217 ( 11.494 11.517 0.000) 16.271 3.687 ( -2.368 18.734 0.000) 18.883 4.246 ( 27.119 -2.348 0.000) 27.221 4.485 ( -7.279 -3.863 0.000) 8.241 5.400 ( -9.158 -6.857 0.000) 11.441 5.896 ( -5.688 6.683 0.000) 8.776 6.620 ( -3.089 -5.362 0.000) 6.188 6.938 ( -2.300 -1.410 0.000) 2.698 11.406 ( 12.435 -17.429 0.000) 21.410 11.836 ( -1.135 -1.616 0.000) 1.975 13.819 ( 55.099 45.030 0.000) 71.159 15.442 ( -32.062 -12.223 0.000) 34.313 15.654 ( -14.406 -18.907 0.000) 23.770 16.775 ( -4.175 5.366 0.000) 6.799 ======================= Grid point 708 (122/140) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 1.397 0.404 0.000) 1.454 1.938 ( 20.869 -3.314 0.000) 21.131 2.605 ( 17.277 11.032 0.000) 20.498 2.985 ( 7.482 -6.797 0.000) 10.109 3.457 ( 10.862 12.133 0.000) 16.285 3.640 ( -0.722 16.722 0.000) 16.738 4.323 ( -9.038 -2.456 0.000) 9.366 4.787 ( 25.885 -3.234 0.000) 26.086 5.290 ( -1.404 -2.416 0.000) 2.795 5.737 ( -9.646 8.844 0.000) 13.087 6.592 ( -0.113 -4.836 0.000) 4.837 6.884 ( -2.976 -1.533 0.000) 3.347 11.727 ( 15.260 -23.294 0.000) 27.848 11.845 ( 5.893 -5.638 0.000) 8.156 14.691 ( -40.076 -12.000 0.000) 41.834 14.794 ( 41.181 36.516 -0.000) 55.040 15.335 ( -17.708 -23.030 0.000) 29.051 16.726 ( -1.794 13.971 0.000) 14.085 ======================= Grid point 710 (123/140) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 16.325 3.696 0.000) 16.738 2.325 ( 17.250 -2.555 0.000) 17.438 2.861 ( 8.123 5.554 0.000) 9.840 3.130 ( 6.490 -6.641 0.000) 9.286 3.494 ( -3.972 14.465 0.000) 15.000 3.819 ( 15.520 11.192 0.000) 19.135 4.112 ( -12.057 -1.020 0.000) 12.100 5.258 ( 20.497 -3.318 0.000) 20.763 5.325 ( 2.049 -0.645 0.000) 2.148 5.541 ( -7.466 9.422 0.000) 12.022 6.606 ( 1.375 -3.683 0.000) 3.932 6.823 ( -2.973 -1.479 0.000) 3.321 11.834 ( 3.712 -5.859 0.000) 6.936 12.248 ( 25.820 -28.909 0.000) 38.760 13.900 ( -37.777 -9.682 0.000) 38.998 14.941 ( -21.586 -27.101 0.000) 34.647 15.474 ( 27.207 31.299 0.000) 41.471 16.677 ( -3.425 18.812 0.000) 19.121 ======================= Grid point 712 (124/140) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 23.443 3.254 0.000) 23.668 2.609 ( 9.920 -3.295 0.000) 10.453 2.946 ( 1.479 5.380 0.000) 5.579 3.223 ( 1.642 -4.807 0.000) 5.080 3.414 ( -2.412 12.142 0.000) 12.379 3.850 ( -13.518 0.290 0.000) 13.521 4.159 ( 17.721 9.294 0.000) 20.010 5.176 ( -13.810 5.567 0.000) 14.890 5.594 ( 8.452 2.890 -0.000) 8.933 5.594 ( 12.695 -2.864 0.000) 13.015 6.641 ( 2.011 -2.632 0.000) 3.312 6.768 ( -2.497 -1.359 0.000) 2.843 11.958 ( 9.173 -5.627 0.000) 10.762 12.797 ( 28.447 -32.502 0.000) 43.193 13.197 ( -31.913 -7.826 0.000) 32.859 14.472 ( -25.020 -30.509 0.000) 39.456 15.917 ( 17.818 28.447 0.000) 33.566 16.581 ( -6.160 22.172 0.000) 23.011 ======================= Grid point 714 (125/140) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 21.684 0.941 0.000) 21.705 2.624 ( -9.794 -2.859 0.000) 10.203 3.015 ( 6.669 6.194 0.000) 9.102 3.161 ( -6.573 2.917 0.000) 7.191 3.450 ( 5.207 3.997 0.000) 6.564 3.603 ( -10.227 1.459 0.000) 10.330 4.518 ( 17.827 8.104 0.000) 19.583 4.866 ( -16.663 7.165 0.000) 18.138 5.741 ( 4.863 0.052 -0.000) 4.863 5.758 ( 3.545 -1.782 0.000) 3.967 6.682 ( 2.021 -1.860 0.000) 2.747 6.723 ( -2.065 -1.426 0.000) 2.510 12.215 ( 16.625 -5.987 0.000) 17.670 12.629 ( -24.584 -6.655 0.000) 25.469 13.375 ( 28.803 -33.591 0.000) 44.249 13.943 ( -27.544 -32.819 0.000) 42.846 16.216 ( 12.414 26.562 0.000) 29.320 16.429 ( -9.034 24.651 0.000) 26.254 ======================= Grid point 732 (126/140) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -1.768 -1.768 0.000) 2.501 1.630 ( 12.106 12.106 0.000) 17.121 2.547 ( 16.185 16.185 0.000) 22.889 2.813 ( 0.967 0.967 0.000) 1.368 3.459 ( 12.436 12.436 0.000) 17.588 4.129 ( 12.907 12.907 0.000) 18.253 4.206 ( 9.007 9.007 0.000) 12.738 4.389 ( -5.391 -5.391 0.000) 7.624 5.288 ( -3.593 -3.593 0.000) 5.081 5.991 ( 1.590 1.590 0.000) 2.249 6.501 ( -5.185 -5.185 0.000) 7.333 6.898 ( -2.495 -2.495 0.000) 3.528 11.180 ( -3.966 -3.966 0.000) 5.609 11.797 ( -2.024 -2.024 0.000) 2.862 14.766 ( 45.702 45.702 0.000) 64.633 15.030 ( -30.111 -30.111 -0.000) 42.584 15.224 ( -20.520 -20.520 0.000) 29.020 16.901 ( 6.418 6.418 0.000) 9.077 ======================= Grid point 734 (127/140) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 8.147 7.882 0.000) 11.336 1.954 ( 18.590 5.560 0.000) 19.404 2.809 ( 9.786 8.152 0.000) 12.737 2.881 ( 5.347 -3.121 0.000) 6.192 3.708 ( 11.757 12.541 0.000) 17.190 4.073 ( -4.280 24.481 0.000) 24.852 4.269 ( -6.900 -2.790 0.000) 7.443 4.697 ( 25.590 -5.372 0.000) 26.148 5.274 ( 2.280 1.248 0.000) 2.599 5.930 ( -7.302 9.518 0.000) 11.996 6.455 ( 0.617 -8.364 0.000) 8.386 6.842 ( -2.957 -2.524 0.000) 3.888 11.237 ( 8.849 -20.504 0.000) 22.332 11.771 ( 0.038 -3.530 0.000) 3.530 14.339 ( -36.418 -22.753 0.000) 42.941 14.800 ( -22.567 -28.631 0.000) 36.456 15.578 ( 34.570 38.350 0.000) 51.631 17.012 ( 4.361 13.512 0.000) 14.198 ======================= Grid point 736 (128/140) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 17.210 11.633 0.000) 20.772 2.321 ( 16.903 2.800 0.000) 17.133 2.948 ( 4.514 2.482 0.000) 5.151 3.004 ( 6.262 -5.203 -0.000) 8.142 3.822 ( -2.816 15.756 0.000) 16.006 4.101 ( -9.896 -0.064 -0.000) 9.896 4.110 ( 10.760 17.835 0.000) 20.829 5.169 ( 20.876 -5.106 0.000) 21.491 5.356 ( 4.224 3.577 0.000) 5.535 5.750 ( -8.808 11.039 0.000) 14.123 6.499 ( 3.083 -6.876 0.000) 7.536 6.784 ( -2.789 -2.333 0.000) 3.636 11.486 ( 14.257 -28.481 0.000) 31.850 11.832 ( 7.456 -9.182 0.000) 11.828 13.618 ( -34.674 -18.093 0.000) 39.111 14.313 ( -25.918 -33.770 0.000) 42.569 16.155 ( 23.337 33.670 0.000) 40.967 17.067 ( 0.940 18.617 0.000) 18.640 ======================= Grid point 738 (129/140) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 21.154 10.223 0.000) 23.495 2.592 ( 8.962 1.961 0.000) 9.174 3.010 ( 2.366 0.712 0.000) 2.470 3.109 ( 3.735 -5.532 -0.000) 6.675 3.714 ( -5.867 15.584 0.000) 16.651 3.883 ( -11.174 2.980 0.000) 11.565 4.397 ( 16.069 14.030 0.000) 21.332 5.317 ( -9.599 7.945 0.000) 12.460 5.519 ( 13.798 -4.142 0.000) 14.406 5.683 ( 2.753 5.910 0.000) 6.520 6.565 ( 3.383 -4.815 0.000) 5.884 6.731 ( -2.439 -2.170 0.000) 3.265 11.748 ( 12.164 -18.307 0.000) 21.980 12.124 ( 21.139 -28.135 0.000) 35.192 12.968 ( -29.839 -14.880 0.000) 33.344 13.766 ( -28.308 -37.718 0.000) 47.160 16.537 ( 15.343 30.720 0.000) 34.338 17.048 ( -2.798 22.588 0.000) 22.760 ======================= Grid point 740 (130/140) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 18.183 6.758 0.000) 19.398 2.624 ( -6.511 3.133 0.000) 7.226 3.074 ( 4.076 -0.416 0.000) 4.098 3.137 ( -1.197 -3.820 0.000) 4.003 3.634 ( -1.161 12.038 0.000) 12.094 3.691 ( -6.850 6.899 0.000) 9.722 4.729 ( 16.628 12.392 0.000) 20.737 5.052 ( -15.279 10.884 0.000) 18.759 5.715 ( 5.584 -2.212 0.000) 6.006 5.749 ( 1.765 0.914 0.000) 1.988 6.629 ( 2.942 -3.302 0.000) 4.422 6.683 ( -2.456 -2.415 0.000) 3.445 12.028 ( 16.654 -13.133 0.000) 21.209 12.431 ( -23.485 -13.037 0.000) 26.861 12.620 ( 27.198 -37.989 0.000) 46.722 13.188 ( -28.958 -39.725 0.000) 49.159 16.790 ( 10.193 28.341 0.000) 30.118 16.955 ( -6.399 25.759 0.000) 26.542 ======================= Grid point 760 (131/140) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 14.258 14.258 0.000) 20.164 2.151 ( 13.273 13.273 0.000) 18.771 2.868 ( 1.792 1.792 0.000) 2.535 2.921 ( 3.338 3.338 0.000) 4.721 3.947 ( 10.662 10.662 0.000) 15.079 4.204 ( -3.991 -3.991 0.000) 5.645 4.485 ( 5.681 5.681 0.000) 8.034 4.671 ( 13.595 13.595 0.000) 19.227 5.342 ( 5.300 5.300 0.000) 7.496 6.076 ( 2.559 2.559 0.000) 3.619 6.295 ( -4.915 -4.915 0.000) 6.951 6.788 ( -2.758 -2.758 0.000) 3.900 10.964 ( -6.431 -6.431 0.000) 9.095 11.708 ( -2.438 -2.438 0.000) 3.447 13.802 ( -29.752 -29.752 0.000) 42.075 14.220 ( -29.123 -29.123 0.000) 41.186 16.267 ( 29.639 29.639 0.000) 41.916 17.248 ( 9.730 9.730 0.000) 13.760 ======================= Grid point 762 (132/140) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 17.544 16.504 0.000) 24.087 2.442 ( 14.472 8.891 0.000) 16.985 2.937 ( 4.494 -1.245 0.000) 4.663 2.964 ( 1.457 -0.361 -0.000) 1.501 4.073 ( -0.155 8.838 0.000) 8.839 4.097 ( -6.767 -0.829 0.000) 6.817 4.503 ( 5.051 19.411 0.000) 20.057 5.087 ( 20.818 -1.456 0.000) 20.869 5.459 ( 5.213 6.302 0.000) 8.179 5.968 ( -9.277 10.356 0.000) 13.904 6.338 ( 5.741 -8.899 0.000) 10.590 6.734 ( -2.534 -2.466 0.000) 3.535 10.973 ( 6.884 -20.128 0.000) 21.272 11.690 ( 1.075 -6.120 0.000) 6.214 13.190 ( -30.277 -24.017 0.000) 38.646 13.624 ( -30.336 -34.358 0.000) 45.833 16.765 ( 20.314 26.546 0.000) 33.427 17.398 ( 5.148 14.082 0.000) 14.993 ======================= Grid point 764 (133/140) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 18.209 14.924 0.000) 23.544 2.685 ( 8.632 7.024 0.000) 11.129 2.994 ( 1.746 -1.585 0.000) 2.358 3.023 ( 3.494 -2.743 -0.000) 4.442 3.945 ( -7.637 2.508 0.000) 8.038 3.976 ( -7.122 9.436 0.000) 11.823 4.709 ( 13.497 16.596 0.000) 21.391 5.451 ( 15.048 -1.963 0.000) 15.175 5.482 ( -4.763 8.332 0.000) 9.597 5.821 ( -3.786 7.491 0.000) 8.393 6.454 ( 5.522 -6.067 0.000) 8.204 6.685 ( -2.505 -2.400 0.000) 3.469 11.220 ( 17.098 -28.007 0.000) 32.813 11.768 ( 7.134 -11.998 0.000) 13.959 12.611 ( -27.135 -20.280 0.000) 33.876 13.008 ( -30.607 -37.036 0.000) 48.047 17.097 ( 13.144 24.484 0.000) 27.789 17.455 ( 0.571 17.583 0.000) 17.593 ======================= Grid point 766 (134/140) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 14.296 11.439 0.000) 18.309 2.741 ( -3.751 8.046 0.000) 8.877 3.037 ( 2.313 -2.162 0.000) 3.166 3.062 ( 0.256 -2.920 -0.000) 2.931 3.830 ( -2.819 5.780 0.000) 6.431 3.850 ( -4.411 8.299 0.000) 9.398 4.999 ( 14.859 14.250 0.000) 20.588 5.285 ( -13.097 12.009 0.000) 17.770 5.684 ( 8.086 -0.540 0.000) 8.104 5.782 ( -2.223 2.435 0.000) 3.297 6.554 ( 4.374 -4.112 0.000) 6.004 6.629 ( -3.163 -2.895 0.000) 4.288 11.629 ( 22.788 -27.139 0.000) 35.438 11.995 ( 16.082 -22.182 0.000) 27.398 12.101 ( -24.054 -20.337 0.000) 31.499 12.426 ( -26.360 -34.381 0.000) 43.323 17.306 ( 7.970 22.605 0.000) 23.968 17.423 ( -3.703 20.384 0.000) 20.717 ======================= Grid point 788 (135/140) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 17.148 17.148 0.000) 24.251 2.652 ( 11.244 11.244 0.000) 15.901 2.950 ( 2.115 2.115 -0.000) 2.990 2.956 ( 0.007 0.007 0.000) 0.010 4.053 ( -3.582 -3.582 0.000) 5.065 4.159 ( -0.578 -0.578 0.000) 0.817 4.816 ( 11.619 11.619 0.000) 16.431 5.187 ( 11.794 11.794 0.000) 16.679 5.585 ( 5.425 5.425 0.000) 7.671 6.126 ( -3.370 -3.370 0.000) 4.766 6.186 ( 2.763 2.763 0.000) 3.907 6.686 ( -2.385 -2.385 0.000) 3.373 10.717 ( -5.114 -5.114 0.000) 7.232 11.588 ( -3.733 -3.733 0.000) 5.279 12.683 ( -25.714 -25.714 0.000) 36.365 12.943 ( -33.436 -33.436 0.000) 47.285 17.215 ( 18.388 18.388 0.000) 26.005 17.626 ( 8.692 8.692 0.000) 12.293 ======================= Grid point 790 (136/140) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 15.518 15.328 0.000) 21.812 2.855 ( 7.854 9.213 0.000) 12.107 2.972 ( 1.561 -0.232 0.000) 1.578 3.001 ( 2.472 0.421 -0.000) 2.508 3.964 ( -4.743 -0.829 0.000) 4.815 4.075 ( -6.515 0.596 0.000) 6.542 5.041 ( 11.824 15.876 0.000) 19.795 5.466 ( 13.775 3.818 0.000) 14.294 5.640 ( -1.011 6.908 0.000) 6.981 5.965 ( -7.582 6.190 0.000) 9.788 6.334 ( 7.420 -5.426 0.000) 9.193 6.635 ( -2.809 -2.589 0.000) 3.820 10.766 ( 9.743 -15.945 0.000) 18.687 11.555 ( 0.870 -9.380 0.000) 9.420 12.174 ( -25.887 -22.652 0.000) 34.398 12.302 ( -28.695 -32.972 0.000) 43.710 17.513 ( 11.598 17.023 0.000) 20.598 17.747 ( 3.420 11.570 0.000) 12.064 ======================= Grid point 792 (137/140) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 10.808 12.366 0.000) 16.423 2.924 ( -1.544 9.499 0.000) 9.623 3.013 ( 1.979 0.039 0.000) 1.980 3.031 ( 0.287 -0.158 -0.000) 0.328 3.899 ( -0.796 0.953 0.000) 1.242 3.947 ( -5.203 1.405 0.000) 5.389 5.290 ( 12.605 14.462 0.000) 19.184 5.523 ( -9.821 11.395 0.000) 15.043 5.700 ( 9.267 2.192 0.000) 9.523 5.843 ( -5.496 3.401 0.000) 6.463 6.468 ( 5.868 -4.427 0.000) 7.351 6.567 ( -4.092 -3.303 0.000) 5.258 11.088 ( 21.690 -23.545 0.000) 32.013 11.604 ( -28.742 -26.917 0.000) 39.378 11.637 ( 7.575 -15.557 0.000) 17.303 11.868 ( -15.751 -22.260 0.000) 27.269 17.690 ( 6.218 15.630 0.000) 16.821 17.766 ( -1.459 13.859 0.000) 13.936 ======================= Grid point 816 (138/140) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 12.971 12.971 0.000) 18.344 2.988 ( 1.685 1.685 0.000) 2.383 3.026 ( 1.580 1.580 0.001) 2.234 3.028 ( 7.241 7.241 -0.001) 10.240 3.921 ( -2.920 -2.920 0.000) 4.129 4.024 ( -4.759 -4.759 0.000) 6.731 5.331 ( 13.072 13.072 0.000) 18.487 5.595 ( 8.234 8.234 0.000) 11.645 5.740 ( 2.563 2.563 0.000) 3.624 6.019 ( -2.254 -2.254 0.000) 3.188 6.285 ( 2.030 2.030 0.000) 2.870 6.577 ( -3.405 -3.405 0.000) 4.815 10.601 ( -0.420 -0.420 0.000) 0.594 11.402 ( -5.382 -5.382 0.000) 7.612 11.656 ( -28.792 -28.792 0.000) 40.719 11.772 ( -19.025 -19.025 0.000) 26.906 17.786 ( 10.402 10.402 0.000) 14.711 17.920 ( 5.744 5.744 0.000) 8.124 ======================= Grid point 818 (139/140) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 6.613 9.275 -0.000) 11.391 3.026 ( 1.710 1.830 0.000) 2.505 3.050 ( 1.605 2.462 0.000) 2.939 3.112 ( 0.364 7.862 -0.000) 7.870 3.878 ( -0.378 -2.421 0.000) 2.450 3.922 ( -4.411 -3.174 0.000) 5.435 5.568 ( 10.381 12.973 0.000) 16.615 5.724 ( -4.438 8.040 -0.000) 9.183 5.762 ( 7.847 3.539 0.000) 8.609 5.909 ( -6.998 2.857 0.000) 7.559 6.381 ( 5.970 -3.852 0.000) 7.105 6.494 ( -4.931 -4.121 0.000) 6.426 10.739 ( 13.680 -10.764 0.000) 17.408 11.122 ( -23.616 -20.199 0.000) 31.075 11.359 ( 1.489 -11.710 0.000) 11.804 11.476 ( -10.347 -16.790 0.000) 19.722 17.937 ( 4.789 9.159 0.000) 10.336 17.981 ( 0.385 7.637 0.000) 7.646 ======================= Grid point 844 (140/140) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 1.362 1.362 0.000) 1.926 3.070 ( 0.568 0.568 0.000) 0.804 3.192 ( 5.445 5.445 0.000) 7.700 3.223 ( 2.458 2.458 -0.000) 3.477 3.832 ( -1.271 -1.271 0.000) 1.797 3.851 ( -2.999 -2.999 0.000) 4.242 5.795 ( 8.596 8.596 0.000) 12.157 5.826 ( 2.014 2.014 0.000) 2.849 5.826 ( 3.033 3.033 0.000) 4.289 5.926 ( -2.300 -2.300 0.000) 3.252 6.342 ( 0.728 0.728 0.000) 1.030 6.404 ( -4.505 -4.505 0.000) 6.371 10.656 ( 2.085 2.085 0.000) 2.948 10.801 ( -11.826 -11.826 0.000) 16.724 11.194 ( -3.954 -3.954 0.000) 5.592 11.225 ( -7.349 -7.349 0.000) 10.394 18.062 ( 3.427 3.427 0.000) 4.847 18.077 ( 1.983 1.983 0.000) 2.804 =================== 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 3/24336 10.0 1099.945 1099.945 468.936 0.000 0.000 0.000 3/24336 20.0 287.191 287.191 79.226 -0.000 -0.000 0.000 3/24336 30.0 114.463 114.463 29.088 0.000 0.000 0.000 3/24336 40.0 65.813 65.813 16.324 0.000 0.000 0.000 3/24336 50.0 45.556 45.556 11.111 0.000 0.000 0.000 3/24336 60.0 35.007 35.007 8.388 0.000 0.000 0.000 3/24336 70.0 28.678 28.678 6.748 0.000 0.000 0.000 3/24336 80.0 24.494 24.494 5.661 0.000 0.000 0.000 3/24336 90.0 21.522 21.522 4.889 0.000 0.000 0.000 3/24336 100.0 19.293 19.293 4.314 0.000 0.000 0.000 3/24336 110.0 17.549 17.549 3.867 0.000 0.000 0.000 3/24336 120.0 16.139 16.139 3.510 0.000 0.000 0.000 3/24336 130.0 14.969 14.969 3.218 0.000 0.000 0.000 3/24336 140.0 13.978 13.978 2.973 0.000 0.000 0.000 3/24336 150.0 13.124 13.124 2.766 0.000 0.000 0.000 3/24336 160.0 12.378 12.378 2.587 0.000 0.000 0.000 3/24336 170.0 11.720 11.720 2.432 0.000 0.000 0.000 3/24336 180.0 11.133 11.133 2.295 0.000 0.000 0.000 3/24336 190.0 10.605 10.605 2.173 0.000 0.000 0.000 3/24336 200.0 10.128 10.128 2.064 0.000 0.000 0.000 3/24336 210.0 9.694 9.694 1.967 0.000 0.000 0.000 3/24336 220.0 9.296 9.296 1.878 0.000 0.000 0.000 3/24336 230.0 8.931 8.931 1.797 0.000 0.000 0.000 3/24336 240.0 8.594 8.594 1.723 0.000 0.000 0.000 3/24336 250.0 8.282 8.282 1.656 0.000 0.000 0.000 3/24336 260.0 7.991 7.991 1.593 0.000 0.000 0.000 3/24336 270.0 7.721 7.721 1.535 0.000 0.000 0.000 3/24336 280.0 7.468 7.468 1.481 0.000 0.000 0.000 3/24336 290.0 7.232 7.232 1.431 0.000 0.000 0.000 3/24336 300.0 7.009 7.009 1.385 0.000 0.000 0.000 3/24336 310.0 6.800 6.800 1.341 0.000 0.000 0.000 3/24336 320.0 6.603 6.603 1.300 0.000 0.000 0.000 3/24336 330.0 6.417 6.417 1.261 0.000 0.000 0.000 3/24336 340.0 6.241 6.241 1.225 0.000 0.000 0.000 3/24336 350.0 6.074 6.074 1.191 0.000 0.000 0.000 3/24336 360.0 5.916 5.916 1.158 0.000 0.000 0.000 3/24336 370.0 5.766 5.766 1.127 0.000 0.000 0.000 3/24336 380.0 5.623 5.623 1.098 0.000 0.000 0.000 3/24336 390.0 5.487 5.487 1.071 0.000 0.000 0.000 3/24336 400.0 5.358 5.358 1.044 0.000 0.000 0.000 3/24336 410.0 5.234 5.234 1.019 0.000 0.000 0.000 3/24336 420.0 5.116 5.116 0.996 0.000 0.000 0.000 3/24336 430.0 5.002 5.002 0.973 0.000 0.000 0.000 3/24336 440.0 4.894 4.894 0.951 0.000 0.000 0.000 3/24336 450.0 4.790 4.790 0.930 0.000 0.000 0.000 3/24336 460.0 4.691 4.691 0.910 0.000 0.000 0.000 3/24336 470.0 4.595 4.595 0.891 0.000 0.000 0.000 3/24336 480.0 4.504 4.504 0.873 0.000 0.000 0.000 3/24336 490.0 4.415 4.415 0.856 0.000 0.000 0.000 3/24336 500.0 4.331 4.331 0.839 0.000 0.000 0.000 3/24336 510.0 4.249 4.249 0.823 0.000 0.000 0.000 3/24336 520.0 4.170 4.170 0.807 0.000 0.000 0.000 3/24336 530.0 4.094 4.094 0.792 0.000 0.000 0.000 3/24336 540.0 4.021 4.021 0.777 0.000 0.000 0.000 3/24336 550.0 3.950 3.950 0.764 0.000 0.000 0.000 3/24336 560.0 3.882 3.882 0.750 0.000 0.000 0.000 3/24336 570.0 3.816 3.816 0.737 0.000 0.000 0.000 3/24336 580.0 3.752 3.752 0.725 0.000 0.000 0.000 3/24336 590.0 3.691 3.691 0.712 0.000 0.000 0.000 3/24336 600.0 3.631 3.631 0.701 0.000 0.000 0.000 3/24336 610.0 3.573 3.573 0.689 0.000 0.000 0.000 3/24336 620.0 3.517 3.517 0.678 0.000 0.000 0.000 3/24336 630.0 3.463 3.463 0.668 0.000 0.000 0.000 3/24336 640.0 3.410 3.410 0.657 0.000 0.000 0.000 3/24336 650.0 3.359 3.359 0.647 0.000 0.000 0.000 3/24336 660.0 3.309 3.309 0.638 0.000 0.000 0.000 3/24336 670.0 3.261 3.261 0.628 0.000 0.000 0.000 3/24336 680.0 3.214 3.214 0.619 0.000 0.000 0.000 3/24336 690.0 3.169 3.169 0.610 0.000 0.000 0.000 3/24336 700.0 3.124 3.124 0.602 0.000 0.000 0.000 3/24336 710.0 3.081 3.081 0.593 0.000 0.000 0.000 3/24336 720.0 3.040 3.040 0.585 0.000 0.000 0.000 3/24336 730.0 2.999 2.999 0.577 0.000 0.000 0.000 3/24336 740.0 2.959 2.959 0.569 0.000 0.000 0.000 3/24336 750.0 2.920 2.920 0.562 0.000 0.000 0.000 3/24336 760.0 2.883 2.883 0.555 0.000 0.000 0.000 3/24336 770.0 2.846 2.846 0.547 0.000 0.000 0.000 3/24336 780.0 2.810 2.810 0.540 0.000 0.000 0.000 3/24336 790.0 2.775 2.775 0.534 0.000 0.000 0.000 3/24336 800.0 2.741 2.741 0.527 0.000 0.000 0.000 3/24336 810.0 2.708 2.708 0.521 0.000 0.000 0.000 3/24336 820.0 2.675 2.675 0.514 0.000 0.000 0.000 3/24336 830.0 2.644 2.644 0.508 0.000 0.000 0.000 3/24336 840.0 2.613 2.613 0.502 0.000 0.000 0.000 3/24336 850.0 2.582 2.582 0.496 0.000 0.000 0.000 3/24336 860.0 2.553 2.553 0.491 0.000 0.000 0.000 3/24336 870.0 2.524 2.524 0.485 0.000 0.000 0.000 3/24336 880.0 2.496 2.496 0.479 0.000 0.000 0.000 3/24336 890.0 2.468 2.468 0.474 0.000 0.000 0.000 3/24336 900.0 2.441 2.441 0.469 0.000 0.000 0.000 3/24336 910.0 2.415 2.415 0.464 0.000 0.000 0.000 3/24336 920.0 2.389 2.389 0.459 0.000 0.000 0.000 3/24336 930.0 2.363 2.363 0.454 0.000 0.000 0.000 3/24336 940.0 2.339 2.339 0.449 0.000 0.000 0.000 3/24336 950.0 2.314 2.314 0.444 0.000 0.000 0.000 3/24336 960.0 2.291 2.291 0.440 0.000 0.000 0.000 3/24336 970.0 2.267 2.267 0.435 0.000 0.000 0.000 3/24336 980.0 2.244 2.244 0.431 0.000 0.000 0.000 3/24336 990.0 2.222 2.222 0.426 0.000 0.000 0.000 3/24336 1000.0 2.200 2.200 0.422 0.000 0.000 0.000 3/24336 Thermal conductivity related properties were written into "kappa-m13138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:19:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|