----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:34:48]------------------------- Compiled with OpenMP support (max 48 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 3.726249370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.726249370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.603546120000000 Atomic positions (fractional): *1 Yb 0.00000000000000 0.50000000000000 0.80757673379265 173.054 2 Yb 0.50000000000000 0.00000000000000 0.19242326620735 173.054 *3 Cl 0.00000000000000 0.50000000000000 0.35515849780543 35.453 4 Cl 0.50000000000000 0.00000000000000 0.64484150219457 35.453 *5 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 6 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.726249370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.726249370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.603546120000000 Atomic positions (fractional): *1 Yb 0.00000000000000 0.50000000000000 0.80757673379265 173.054 > 1 2 Yb 0.50000000000000 0.00000000000000 0.19242326620735 173.054 > 2 *3 Cl 0.00000000000000 0.50000000000000 0.35515849780543 35.453 > 3 4 Cl 0.50000000000000 0.00000000000000 0.64484150219457 35.453 > 4 *5 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 5 6 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.178748110000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.178748110000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.207092240000000 Atomic positions (fractional): *1 Yb 0.00000000000000 0.16666666666667 0.40378836689632 173.054 > 1 2 Yb 0.33333333333333 0.16666666666667 0.40378836689632 173.054 > 1 3 Yb 0.66666666666667 0.16666666666667 0.40378836689632 173.054 > 1 4 Yb 0.00000000000000 0.50000000000000 0.40378836689632 173.054 > 1 5 Yb 0.33333333333333 0.50000000000000 0.40378836689632 173.054 > 1 6 Yb 0.66666666666667 0.50000000000000 0.40378836689632 173.054 > 1 7 Yb 0.00000000000000 0.83333333333333 0.40378836689632 173.054 > 1 8 Yb 0.33333333333333 0.83333333333333 0.40378836689632 173.054 > 1 9 Yb 0.66666666666667 0.83333333333333 0.40378836689632 173.054 > 1 10 Yb 0.00000000000000 0.16666666666667 0.90378836689632 173.054 > 1 11 Yb 0.33333333333333 0.16666666666667 0.90378836689632 173.054 > 1 12 Yb 0.66666666666667 0.16666666666667 0.90378836689632 173.054 > 1 13 Yb 0.00000000000000 0.50000000000000 0.90378836689632 173.054 > 1 14 Yb 0.33333333333333 0.50000000000000 0.90378836689632 173.054 > 1 15 Yb 0.66666666666667 0.50000000000000 0.90378836689632 173.054 > 1 16 Yb 0.00000000000000 0.83333333333333 0.90378836689632 173.054 > 1 17 Yb 0.33333333333333 0.83333333333333 0.90378836689632 173.054 > 1 18 Yb 0.66666666666667 0.83333333333333 0.90378836689632 173.054 > 1 19 Yb 0.16666666666667 0.00000000000000 0.09621163310368 173.054 > 2 20 Yb 0.50000000000000 0.00000000000000 0.09621163310368 173.054 > 2 21 Yb 0.83333333333333 0.00000000000000 0.09621163310368 173.054 > 2 22 Yb 0.16666666666667 0.33333333333333 0.09621163310368 173.054 > 2 23 Yb 0.50000000000000 0.33333333333333 0.09621163310368 173.054 > 2 24 Yb 0.83333333333333 0.33333333333333 0.09621163310368 173.054 > 2 25 Yb 0.16666666666667 0.66666666666667 0.09621163310368 173.054 > 2 26 Yb 0.50000000000000 0.66666666666667 0.09621163310368 173.054 > 2 27 Yb 0.83333333333333 0.66666666666667 0.09621163310368 173.054 > 2 28 Yb 0.16666666666667 0.00000000000000 0.59621163310368 173.054 > 2 29 Yb 0.50000000000000 0.00000000000000 0.59621163310368 173.054 > 2 30 Yb 0.83333333333333 0.00000000000000 0.59621163310368 173.054 > 2 31 Yb 0.16666666666667 0.33333333333333 0.59621163310368 173.054 > 2 32 Yb 0.50000000000000 0.33333333333333 0.59621163310368 173.054 > 2 33 Yb 0.83333333333333 0.33333333333333 0.59621163310368 173.054 > 2 34 Yb 0.16666666666667 0.66666666666667 0.59621163310368 173.054 > 2 35 Yb 0.50000000000000 0.66666666666667 0.59621163310368 173.054 > 2 36 Yb 0.83333333333333 0.66666666666667 0.59621163310368 173.054 > 2 *37 Cl 0.00000000000000 0.16666666666667 0.17757924890271 35.453 > 3 38 Cl 0.33333333333333 0.16666666666667 0.17757924890271 35.453 > 3 39 Cl 0.66666666666667 0.16666666666667 0.17757924890271 35.453 > 3 40 Cl 0.00000000000000 0.50000000000000 0.17757924890271 35.453 > 3 41 Cl 0.33333333333333 0.50000000000000 0.17757924890271 35.453 > 3 42 Cl 0.66666666666667 0.50000000000000 0.17757924890271 35.453 > 3 43 Cl 0.00000000000000 0.83333333333333 0.17757924890271 35.453 > 3 44 Cl 0.33333333333333 0.83333333333333 0.17757924890271 35.453 > 3 45 Cl 0.66666666666667 0.83333333333333 0.17757924890271 35.453 > 3 46 Cl 0.00000000000000 0.16666666666667 0.67757924890271 35.453 > 3 47 Cl 0.33333333333333 0.16666666666667 0.67757924890271 35.453 > 3 48 Cl 0.66666666666667 0.16666666666667 0.67757924890271 35.453 > 3 49 Cl 0.00000000000000 0.50000000000000 0.67757924890271 35.453 > 3 50 Cl 0.33333333333333 0.50000000000000 0.67757924890271 35.453 > 3 51 Cl 0.66666666666667 0.50000000000000 0.67757924890271 35.453 > 3 52 Cl 0.00000000000000 0.83333333333333 0.67757924890271 35.453 > 3 53 Cl 0.33333333333333 0.83333333333333 0.67757924890271 35.453 > 3 54 Cl 0.66666666666667 0.83333333333333 0.67757924890271 35.453 > 3 55 Cl 0.16666666666667 0.00000000000000 0.32242075109729 35.453 > 4 56 Cl 0.50000000000000 0.00000000000000 0.32242075109729 35.453 > 4 57 Cl 0.83333333333333 0.00000000000000 0.32242075109729 35.453 > 4 58 Cl 0.16666666666667 0.33333333333333 0.32242075109729 35.453 > 4 59 Cl 0.50000000000000 0.33333333333333 0.32242075109729 35.453 > 4 60 Cl 0.83333333333333 0.33333333333333 0.32242075109729 35.453 > 4 61 Cl 0.16666666666667 0.66666666666667 0.32242075109729 35.453 > 4 62 Cl 0.50000000000000 0.66666666666667 0.32242075109729 35.453 > 4 63 Cl 0.83333333333333 0.66666666666667 0.32242075109729 35.453 > 4 64 Cl 0.16666666666667 0.00000000000000 0.82242075109729 35.453 > 4 65 Cl 0.50000000000000 0.00000000000000 0.82242075109729 35.453 > 4 66 Cl 0.83333333333333 0.00000000000000 0.82242075109729 35.453 > 4 67 Cl 0.16666666666667 0.33333333333333 0.82242075109729 35.453 > 4 68 Cl 0.50000000000000 0.33333333333333 0.82242075109729 35.453 > 4 69 Cl 0.83333333333333 0.33333333333333 0.82242075109729 35.453 > 4 70 Cl 0.16666666666667 0.66666666666667 0.82242075109729 35.453 > 4 71 Cl 0.50000000000000 0.66666666666667 0.82242075109729 35.453 > 4 72 Cl 0.83333333333333 0.66666666666667 0.82242075109729 35.453 > 4 *73 F 0.16666666666667 0.16666666666667 0.00000000000000 18.998 > 5 74 F 0.50000000000000 0.16666666666667 0.00000000000000 18.998 > 5 75 F 0.83333333333333 0.16666666666667 0.00000000000000 18.998 > 5 76 F 0.16666666666667 0.50000000000000 0.00000000000000 18.998 > 5 77 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 5 78 F 0.83333333333333 0.50000000000000 0.00000000000000 18.998 > 5 79 F 0.16666666666667 0.83333333333333 0.00000000000000 18.998 > 5 80 F 0.50000000000000 0.83333333333333 0.00000000000000 18.998 > 5 81 F 0.83333333333333 0.83333333333333 0.00000000000000 18.998 > 5 82 F 0.16666666666667 0.16666666666667 0.50000000000000 18.998 > 5 83 F 0.50000000000000 0.16666666666667 0.50000000000000 18.998 > 5 84 F 0.83333333333333 0.16666666666667 0.50000000000000 18.998 > 5 85 F 0.16666666666667 0.50000000000000 0.50000000000000 18.998 > 5 86 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998 > 5 87 F 0.83333333333333 0.50000000000000 0.50000000000000 18.998 > 5 88 F 0.16666666666667 0.83333333333333 0.50000000000000 18.998 > 5 89 F 0.50000000000000 0.83333333333333 0.50000000000000 18.998 > 5 90 F 0.83333333333333 0.83333333333333 0.50000000000000 18.998 > 5 91 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 6 92 F 0.33333333333333 0.00000000000000 0.00000000000000 18.998 > 6 93 F 0.66666666666667 0.00000000000000 0.00000000000000 18.998 > 6 94 F 0.00000000000000 0.33333333333333 0.00000000000000 18.998 > 6 95 F 0.33333333333333 0.33333333333333 0.00000000000000 18.998 > 6 96 F 0.66666666666667 0.33333333333333 0.00000000000000 18.998 > 6 97 F 0.00000000000000 0.66666666666667 0.00000000000000 18.998 > 6 98 F 0.33333333333333 0.66666666666667 0.00000000000000 18.998 > 6 99 F 0.66666666666667 0.66666666666667 0.00000000000000 18.998 > 6 100 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 6 101 F 0.33333333333333 0.00000000000000 0.50000000000000 18.998 > 6 102 F 0.66666666666667 0.00000000000000 0.50000000000000 18.998 > 6 103 F 0.00000000000000 0.33333333333333 0.50000000000000 18.998 > 6 104 F 0.33333333333333 0.33333333333333 0.50000000000000 18.998 > 6 105 F 0.66666666666667 0.33333333333333 0.50000000000000 18.998 > 6 106 F 0.00000000000000 0.66666666666667 0.50000000000000 18.998 > 6 107 F 0.33333333333333 0.66666666666667 0.50000000000000 18.998 > 6 108 F 0.66666666666667 0.66666666666667 0.50000000000000 18.998 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3279718 0.0000000 0.0000000 0.0000000 3.3279718 0.0000000 0.0000000 0.0000000 3.2127581 -------------------------- Born effective charges -------------------------- 1 Yb 2.5740538 0.0000000 0.0000000 0.0000000 2.5740538 0.0000000 0.0000000 0.0000000 2.5865535 2 Yb 2.5740538 0.0000000 0.0000000 0.0000000 2.5740538 0.0000000 0.0000000 0.0000000 2.5865535 3 Cl -1.2382534 0.0000000 0.0000000 0.0000000 -1.2382534 0.0000000 0.0000000 0.0000000 -0.9955103 4 Cl -1.2382534 0.0000000 0.0000000 0.0000000 -1.2382534 0.0000000 0.0000000 0.0000000 -0.9955103 5 F -1.3358004 0.0000000 0.0000000 0.0000000 -1.3358004 0.0000000 0.0000000 0.0000000 -1.5910433 6 F -1.3358004 0.0000000 0.0000000 0.0000000 -1.3358004 0.0000000 0.0000000 0.0000000 -1.5910433 ---------------------------------------------------------------------------- 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): 0.007 Solver_block: 80 / 80 - Time: 0.169 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.178 --------------------------------- 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 13:34:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:34:53]------------------------- Compiled with OpenMP support (max 48 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 3.726249370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.726249370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.603546120000000 Atomic positions (fractional): 1 Yb 0.00000000000000 0.50000000000000 0.80757673379265 173.054 2 Yb 0.50000000000000 0.00000000000000 0.19242326620735 173.054 3 Cl 0.00000000000000 0.50000000000000 0.35515849780543 35.453 4 Cl 0.50000000000000 0.00000000000000 0.64484150219457 35.453 5 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 6 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.178748110000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.178748110000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.207092240000000 Atomic positions (fractional): 1 Yb 0.00000000000000 0.16666666666667 0.40378836689632 173.054 > 1 2 Yb 0.33333333333333 0.16666666666667 0.40378836689632 173.054 > 1 3 Yb 0.66666666666667 0.16666666666667 0.40378836689632 173.054 > 1 4 Yb 0.00000000000000 0.50000000000000 0.40378836689632 173.054 > 1 5 Yb 0.33333333333333 0.50000000000000 0.40378836689632 173.054 > 1 6 Yb 0.66666666666667 0.50000000000000 0.40378836689632 173.054 > 1 7 Yb 0.00000000000000 0.83333333333333 0.40378836689632 173.054 > 1 8 Yb 0.33333333333333 0.83333333333333 0.40378836689632 173.054 > 1 9 Yb 0.66666666666667 0.83333333333333 0.40378836689632 173.054 > 1 10 Yb 0.00000000000000 0.16666666666667 0.90378836689632 173.054 > 1 11 Yb 0.33333333333333 0.16666666666667 0.90378836689632 173.054 > 1 12 Yb 0.66666666666667 0.16666666666667 0.90378836689632 173.054 > 1 13 Yb 0.00000000000000 0.50000000000000 0.90378836689632 173.054 > 1 14 Yb 0.33333333333333 0.50000000000000 0.90378836689632 173.054 > 1 15 Yb 0.66666666666667 0.50000000000000 0.90378836689632 173.054 > 1 16 Yb 0.00000000000000 0.83333333333333 0.90378836689632 173.054 > 1 17 Yb 0.33333333333333 0.83333333333333 0.90378836689632 173.054 > 1 18 Yb 0.66666666666667 0.83333333333333 0.90378836689632 173.054 > 1 19 Yb 0.16666666666667 0.00000000000000 0.09621163310368 173.054 > 19 20 Yb 0.50000000000000 0.00000000000000 0.09621163310368 173.054 > 19 21 Yb 0.83333333333333 0.00000000000000 0.09621163310368 173.054 > 19 22 Yb 0.16666666666667 0.33333333333333 0.09621163310368 173.054 > 19 23 Yb 0.50000000000000 0.33333333333333 0.09621163310368 173.054 > 19 24 Yb 0.83333333333333 0.33333333333333 0.09621163310368 173.054 > 19 25 Yb 0.16666666666667 0.66666666666667 0.09621163310368 173.054 > 19 26 Yb 0.50000000000000 0.66666666666667 0.09621163310368 173.054 > 19 27 Yb 0.83333333333333 0.66666666666667 0.09621163310368 173.054 > 19 28 Yb 0.16666666666667 0.00000000000000 0.59621163310368 173.054 > 19 29 Yb 0.50000000000000 0.00000000000000 0.59621163310368 173.054 > 19 30 Yb 0.83333333333333 0.00000000000000 0.59621163310368 173.054 > 19 31 Yb 0.16666666666667 0.33333333333333 0.59621163310368 173.054 > 19 32 Yb 0.50000000000000 0.33333333333333 0.59621163310368 173.054 > 19 33 Yb 0.83333333333333 0.33333333333333 0.59621163310368 173.054 > 19 34 Yb 0.16666666666667 0.66666666666667 0.59621163310368 173.054 > 19 35 Yb 0.50000000000000 0.66666666666667 0.59621163310368 173.054 > 19 36 Yb 0.83333333333333 0.66666666666667 0.59621163310368 173.054 > 19 37 Cl 0.00000000000000 0.16666666666667 0.17757924890271 35.453 > 37 38 Cl 0.33333333333333 0.16666666666667 0.17757924890271 35.453 > 37 39 Cl 0.66666666666667 0.16666666666667 0.17757924890271 35.453 > 37 40 Cl 0.00000000000000 0.50000000000000 0.17757924890271 35.453 > 37 41 Cl 0.33333333333333 0.50000000000000 0.17757924890271 35.453 > 37 42 Cl 0.66666666666667 0.50000000000000 0.17757924890271 35.453 > 37 43 Cl 0.00000000000000 0.83333333333333 0.17757924890271 35.453 > 37 44 Cl 0.33333333333333 0.83333333333333 0.17757924890271 35.453 > 37 45 Cl 0.66666666666667 0.83333333333333 0.17757924890271 35.453 > 37 46 Cl 0.00000000000000 0.16666666666667 0.67757924890271 35.453 > 37 47 Cl 0.33333333333333 0.16666666666667 0.67757924890271 35.453 > 37 48 Cl 0.66666666666667 0.16666666666667 0.67757924890271 35.453 > 37 49 Cl 0.00000000000000 0.50000000000000 0.67757924890271 35.453 > 37 50 Cl 0.33333333333333 0.50000000000000 0.67757924890271 35.453 > 37 51 Cl 0.66666666666667 0.50000000000000 0.67757924890271 35.453 > 37 52 Cl 0.00000000000000 0.83333333333333 0.67757924890271 35.453 > 37 53 Cl 0.33333333333333 0.83333333333333 0.67757924890271 35.453 > 37 54 Cl 0.66666666666667 0.83333333333333 0.67757924890271 35.453 > 37 55 Cl 0.16666666666667 0.00000000000000 0.32242075109729 35.453 > 55 56 Cl 0.50000000000000 0.00000000000000 0.32242075109729 35.453 > 55 57 Cl 0.83333333333333 0.00000000000000 0.32242075109729 35.453 > 55 58 Cl 0.16666666666667 0.33333333333333 0.32242075109729 35.453 > 55 59 Cl 0.50000000000000 0.33333333333333 0.32242075109729 35.453 > 55 60 Cl 0.83333333333333 0.33333333333333 0.32242075109729 35.453 > 55 61 Cl 0.16666666666667 0.66666666666667 0.32242075109729 35.453 > 55 62 Cl 0.50000000000000 0.66666666666667 0.32242075109729 35.453 > 55 63 Cl 0.83333333333333 0.66666666666667 0.32242075109729 35.453 > 55 64 Cl 0.16666666666667 0.00000000000000 0.82242075109729 35.453 > 55 65 Cl 0.50000000000000 0.00000000000000 0.82242075109729 35.453 > 55 66 Cl 0.83333333333333 0.00000000000000 0.82242075109729 35.453 > 55 67 Cl 0.16666666666667 0.33333333333333 0.82242075109729 35.453 > 55 68 Cl 0.50000000000000 0.33333333333333 0.82242075109729 35.453 > 55 69 Cl 0.83333333333333 0.33333333333333 0.82242075109729 35.453 > 55 70 Cl 0.16666666666667 0.66666666666667 0.82242075109729 35.453 > 55 71 Cl 0.50000000000000 0.66666666666667 0.82242075109729 35.453 > 55 72 Cl 0.83333333333333 0.66666666666667 0.82242075109729 35.453 > 55 73 F 0.16666666666667 0.16666666666667 0.00000000000000 18.998 > 73 74 F 0.50000000000000 0.16666666666667 0.00000000000000 18.998 > 73 75 F 0.83333333333333 0.16666666666667 0.00000000000000 18.998 > 73 76 F 0.16666666666667 0.50000000000000 0.00000000000000 18.998 > 73 77 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 73 78 F 0.83333333333333 0.50000000000000 0.00000000000000 18.998 > 73 79 F 0.16666666666667 0.83333333333333 0.00000000000000 18.998 > 73 80 F 0.50000000000000 0.83333333333333 0.00000000000000 18.998 > 73 81 F 0.83333333333333 0.83333333333333 0.00000000000000 18.998 > 73 82 F 0.16666666666667 0.16666666666667 0.50000000000000 18.998 > 73 83 F 0.50000000000000 0.16666666666667 0.50000000000000 18.998 > 73 84 F 0.83333333333333 0.16666666666667 0.50000000000000 18.998 > 73 85 F 0.16666666666667 0.50000000000000 0.50000000000000 18.998 > 73 86 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998 > 73 87 F 0.83333333333333 0.50000000000000 0.50000000000000 18.998 > 73 88 F 0.16666666666667 0.83333333333333 0.50000000000000 18.998 > 73 89 F 0.50000000000000 0.83333333333333 0.50000000000000 18.998 > 73 90 F 0.83333333333333 0.83333333333333 0.50000000000000 18.998 > 73 91 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 91 92 F 0.33333333333333 0.00000000000000 0.00000000000000 18.998 > 91 93 F 0.66666666666667 0.00000000000000 0.00000000000000 18.998 > 91 94 F 0.00000000000000 0.33333333333333 0.00000000000000 18.998 > 91 95 F 0.33333333333333 0.33333333333333 0.00000000000000 18.998 > 91 96 F 0.66666666666667 0.33333333333333 0.00000000000000 18.998 > 91 97 F 0.00000000000000 0.66666666666667 0.00000000000000 18.998 > 91 98 F 0.33333333333333 0.66666666666667 0.00000000000000 18.998 > 91 99 F 0.66666666666667 0.66666666666667 0.00000000000000 18.998 > 91 100 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 91 101 F 0.33333333333333 0.00000000000000 0.50000000000000 18.998 > 91 102 F 0.66666666666667 0.00000000000000 0.50000000000000 18.998 > 91 103 F 0.00000000000000 0.33333333333333 0.50000000000000 18.998 > 91 104 F 0.33333333333333 0.33333333333333 0.50000000000000 18.998 > 91 105 F 0.66666666666667 0.33333333333333 0.50000000000000 18.998 > 91 106 F 0.00000000000000 0.66666666666667 0.50000000000000 18.998 > 91 107 F 0.33333333333333 0.66666666666667 0.50000000000000 18.998 > 91 108 F 0.66666666666667 0.66666666666667 0.50000000000000 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3279718 0.0000000 0.0000000 0.0000000 3.3279718 0.0000000 0.0000000 0.0000000 3.2127581 -------------------------- Born effective charges -------------------------- 1 Yb 2.5740538 0.0000000 0.0000000 0.0000000 2.5740538 0.0000000 0.0000000 0.0000000 2.5865535 2 Yb 2.5740538 0.0000000 0.0000000 0.0000000 2.5740538 0.0000000 0.0000000 0.0000000 2.5865535 3 Cl -1.2382534 0.0000000 0.0000000 0.0000000 -1.2382534 0.0000000 0.0000000 0.0000000 -0.9955103 4 Cl -1.2382534 0.0000000 0.0000000 0.0000000 -1.2382534 0.0000000 0.0000000 0.0000000 -0.9955103 5 F -1.3358004 0.0000000 0.0000000 0.0000000 -1.3358004 0.0000000 0.0000000 0.0000000 -1.5910433 6 F -1.3358004 0.0000000 0.0000000 0.0000000 -1.3358004 0.0000000 0.0000000 0.0000000 -1.5910433 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) 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 13:34:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:34:58]------------------------- Compiled with OpenMP support (max 48 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 3.726249370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.726249370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.603546120000000 Atomic positions (fractional): 1 Yb 0.00000000000000 0.50000000000000 0.80757673379265 173.054 2 Yb 0.50000000000000 0.00000000000000 0.19242326620735 173.054 3 Cl 0.00000000000000 0.50000000000000 0.35515849780543 35.453 4 Cl 0.50000000000000 0.00000000000000 0.64484150219457 35.453 5 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 6 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.178748110000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.178748110000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.207092240000000 Atomic positions (fractional): 1 Yb 0.00000000000000 0.16666666666667 0.40378836689632 173.054 > 1 2 Yb 0.33333333333333 0.16666666666667 0.40378836689632 173.054 > 1 3 Yb 0.66666666666667 0.16666666666667 0.40378836689632 173.054 > 1 4 Yb 0.00000000000000 0.50000000000000 0.40378836689632 173.054 > 1 5 Yb 0.33333333333333 0.50000000000000 0.40378836689632 173.054 > 1 6 Yb 0.66666666666667 0.50000000000000 0.40378836689632 173.054 > 1 7 Yb 0.00000000000000 0.83333333333333 0.40378836689632 173.054 > 1 8 Yb 0.33333333333333 0.83333333333333 0.40378836689632 173.054 > 1 9 Yb 0.66666666666667 0.83333333333333 0.40378836689632 173.054 > 1 10 Yb 0.00000000000000 0.16666666666667 0.90378836689632 173.054 > 1 11 Yb 0.33333333333333 0.16666666666667 0.90378836689632 173.054 > 1 12 Yb 0.66666666666667 0.16666666666667 0.90378836689632 173.054 > 1 13 Yb 0.00000000000000 0.50000000000000 0.90378836689632 173.054 > 1 14 Yb 0.33333333333333 0.50000000000000 0.90378836689632 173.054 > 1 15 Yb 0.66666666666667 0.50000000000000 0.90378836689632 173.054 > 1 16 Yb 0.00000000000000 0.83333333333333 0.90378836689632 173.054 > 1 17 Yb 0.33333333333333 0.83333333333333 0.90378836689632 173.054 > 1 18 Yb 0.66666666666667 0.83333333333333 0.90378836689632 173.054 > 1 19 Yb 0.16666666666667 0.00000000000000 0.09621163310368 173.054 > 19 20 Yb 0.50000000000000 0.00000000000000 0.09621163310368 173.054 > 19 21 Yb 0.83333333333333 0.00000000000000 0.09621163310368 173.054 > 19 22 Yb 0.16666666666667 0.33333333333333 0.09621163310368 173.054 > 19 23 Yb 0.50000000000000 0.33333333333333 0.09621163310368 173.054 > 19 24 Yb 0.83333333333333 0.33333333333333 0.09621163310368 173.054 > 19 25 Yb 0.16666666666667 0.66666666666667 0.09621163310368 173.054 > 19 26 Yb 0.50000000000000 0.66666666666667 0.09621163310368 173.054 > 19 27 Yb 0.83333333333333 0.66666666666667 0.09621163310368 173.054 > 19 28 Yb 0.16666666666667 0.00000000000000 0.59621163310368 173.054 > 19 29 Yb 0.50000000000000 0.00000000000000 0.59621163310368 173.054 > 19 30 Yb 0.83333333333333 0.00000000000000 0.59621163310368 173.054 > 19 31 Yb 0.16666666666667 0.33333333333333 0.59621163310368 173.054 > 19 32 Yb 0.50000000000000 0.33333333333333 0.59621163310368 173.054 > 19 33 Yb 0.83333333333333 0.33333333333333 0.59621163310368 173.054 > 19 34 Yb 0.16666666666667 0.66666666666667 0.59621163310368 173.054 > 19 35 Yb 0.50000000000000 0.66666666666667 0.59621163310368 173.054 > 19 36 Yb 0.83333333333333 0.66666666666667 0.59621163310368 173.054 > 19 37 Cl 0.00000000000000 0.16666666666667 0.17757924890271 35.453 > 37 38 Cl 0.33333333333333 0.16666666666667 0.17757924890271 35.453 > 37 39 Cl 0.66666666666667 0.16666666666667 0.17757924890271 35.453 > 37 40 Cl 0.00000000000000 0.50000000000000 0.17757924890271 35.453 > 37 41 Cl 0.33333333333333 0.50000000000000 0.17757924890271 35.453 > 37 42 Cl 0.66666666666667 0.50000000000000 0.17757924890271 35.453 > 37 43 Cl 0.00000000000000 0.83333333333333 0.17757924890271 35.453 > 37 44 Cl 0.33333333333333 0.83333333333333 0.17757924890271 35.453 > 37 45 Cl 0.66666666666667 0.83333333333333 0.17757924890271 35.453 > 37 46 Cl 0.00000000000000 0.16666666666667 0.67757924890271 35.453 > 37 47 Cl 0.33333333333333 0.16666666666667 0.67757924890271 35.453 > 37 48 Cl 0.66666666666667 0.16666666666667 0.67757924890271 35.453 > 37 49 Cl 0.00000000000000 0.50000000000000 0.67757924890271 35.453 > 37 50 Cl 0.33333333333333 0.50000000000000 0.67757924890271 35.453 > 37 51 Cl 0.66666666666667 0.50000000000000 0.67757924890271 35.453 > 37 52 Cl 0.00000000000000 0.83333333333333 0.67757924890271 35.453 > 37 53 Cl 0.33333333333333 0.83333333333333 0.67757924890271 35.453 > 37 54 Cl 0.66666666666667 0.83333333333333 0.67757924890271 35.453 > 37 55 Cl 0.16666666666667 0.00000000000000 0.32242075109729 35.453 > 55 56 Cl 0.50000000000000 0.00000000000000 0.32242075109729 35.453 > 55 57 Cl 0.83333333333333 0.00000000000000 0.32242075109729 35.453 > 55 58 Cl 0.16666666666667 0.33333333333333 0.32242075109729 35.453 > 55 59 Cl 0.50000000000000 0.33333333333333 0.32242075109729 35.453 > 55 60 Cl 0.83333333333333 0.33333333333333 0.32242075109729 35.453 > 55 61 Cl 0.16666666666667 0.66666666666667 0.32242075109729 35.453 > 55 62 Cl 0.50000000000000 0.66666666666667 0.32242075109729 35.453 > 55 63 Cl 0.83333333333333 0.66666666666667 0.32242075109729 35.453 > 55 64 Cl 0.16666666666667 0.00000000000000 0.82242075109729 35.453 > 55 65 Cl 0.50000000000000 0.00000000000000 0.82242075109729 35.453 > 55 66 Cl 0.83333333333333 0.00000000000000 0.82242075109729 35.453 > 55 67 Cl 0.16666666666667 0.33333333333333 0.82242075109729 35.453 > 55 68 Cl 0.50000000000000 0.33333333333333 0.82242075109729 35.453 > 55 69 Cl 0.83333333333333 0.33333333333333 0.82242075109729 35.453 > 55 70 Cl 0.16666666666667 0.66666666666667 0.82242075109729 35.453 > 55 71 Cl 0.50000000000000 0.66666666666667 0.82242075109729 35.453 > 55 72 Cl 0.83333333333333 0.66666666666667 0.82242075109729 35.453 > 55 73 F 0.16666666666667 0.16666666666667 0.00000000000000 18.998 > 73 74 F 0.50000000000000 0.16666666666667 0.00000000000000 18.998 > 73 75 F 0.83333333333333 0.16666666666667 0.00000000000000 18.998 > 73 76 F 0.16666666666667 0.50000000000000 0.00000000000000 18.998 > 73 77 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 73 78 F 0.83333333333333 0.50000000000000 0.00000000000000 18.998 > 73 79 F 0.16666666666667 0.83333333333333 0.00000000000000 18.998 > 73 80 F 0.50000000000000 0.83333333333333 0.00000000000000 18.998 > 73 81 F 0.83333333333333 0.83333333333333 0.00000000000000 18.998 > 73 82 F 0.16666666666667 0.16666666666667 0.50000000000000 18.998 > 73 83 F 0.50000000000000 0.16666666666667 0.50000000000000 18.998 > 73 84 F 0.83333333333333 0.16666666666667 0.50000000000000 18.998 > 73 85 F 0.16666666666667 0.50000000000000 0.50000000000000 18.998 > 73 86 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998 > 73 87 F 0.83333333333333 0.50000000000000 0.50000000000000 18.998 > 73 88 F 0.16666666666667 0.83333333333333 0.50000000000000 18.998 > 73 89 F 0.50000000000000 0.83333333333333 0.50000000000000 18.998 > 73 90 F 0.83333333333333 0.83333333333333 0.50000000000000 18.998 > 73 91 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 91 92 F 0.33333333333333 0.00000000000000 0.00000000000000 18.998 > 91 93 F 0.66666666666667 0.00000000000000 0.00000000000000 18.998 > 91 94 F 0.00000000000000 0.33333333333333 0.00000000000000 18.998 > 91 95 F 0.33333333333333 0.33333333333333 0.00000000000000 18.998 > 91 96 F 0.66666666666667 0.33333333333333 0.00000000000000 18.998 > 91 97 F 0.00000000000000 0.66666666666667 0.00000000000000 18.998 > 91 98 F 0.33333333333333 0.66666666666667 0.00000000000000 18.998 > 91 99 F 0.66666666666667 0.66666666666667 0.00000000000000 18.998 > 91 100 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 91 101 F 0.33333333333333 0.00000000000000 0.50000000000000 18.998 > 91 102 F 0.66666666666667 0.00000000000000 0.50000000000000 18.998 > 91 103 F 0.00000000000000 0.33333333333333 0.50000000000000 18.998 > 91 104 F 0.33333333333333 0.33333333333333 0.50000000000000 18.998 > 91 105 F 0.66666666666667 0.33333333333333 0.50000000000000 18.998 > 91 106 F 0.00000000000000 0.66666666666667 0.50000000000000 18.998 > 91 107 F 0.33333333333333 0.66666666666667 0.50000000000000 18.998 > 91 108 F 0.66666666666667 0.66666666666667 0.50000000000000 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3279718 0.0000000 0.0000000 0.0000000 3.3279718 0.0000000 0.0000000 0.0000000 3.2127581 -------------------------- Born effective charges -------------------------- 1 Yb 2.5740538 0.0000000 0.0000000 0.0000000 2.5740538 0.0000000 0.0000000 0.0000000 2.5865535 2 Yb 2.5740538 0.0000000 0.0000000 0.0000000 2.5740538 0.0000000 0.0000000 0.0000000 2.5865535 3 Cl -1.2382534 0.0000000 0.0000000 0.0000000 -1.2382534 0.0000000 0.0000000 0.0000000 -0.9955103 4 Cl -1.2382534 0.0000000 0.0000000 0.0000000 -1.2382534 0.0000000 0.0000000 0.0000000 -0.9955103 5 F -1.3358004 0.0000000 0.0000000 0.0000000 -1.3358004 0.0000000 0.0000000 0.0000000 -1.5910433 6 F -1.3358004 0.0000000 0.0000000 0.0000000 -1.3358004 0.0000000 0.0000000 0.0000000 -1.5910433 ---------------------------------------------------------------------------- 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: 0.92, Number of G-points: 297, Lambda: 0.17 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: 8.55e-05 8.55e-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 2.770 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 3.867 ( -0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 -0.000 -0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 -0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 8.237 ( -0.000 0.000 -0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 9.181 ( -0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.394 ( 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: 8.55e-05 8.55e-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| 0.514 ( 24.469 0.000 0.000) 24.469 0.525 ( 25.117 0.000 0.000) 25.117 0.849 ( 40.506 0.000 0.000) 40.506 2.771 ( 0.136 0.000 0.000) 0.136 2.875 ( 9.834 0.000 0.000) 9.834 3.821 ( -4.339 0.000 0.000) 4.339 4.391 ( 0.019 0.000 0.000) 0.019 4.580 ( 1.523 0.000 0.000) 1.523 5.619 ( -4.787 0.000 0.000) 4.787 6.088 ( -2.585 0.000 0.000) 2.585 6.119 ( 0.378 0.000 0.000) 0.378 6.868 ( 1.047 0.000 0.000) 1.047 8.294 ( 5.408 0.000 0.000) 5.408 9.191 ( 1.066 0.000 0.000) 1.066 10.373 ( 1.031 0.000 0.000) 1.031 11.210 ( -6.775 0.000 0.000) 6.775 11.357 ( -3.617 0.000 0.000) 3.617 11.406 ( 0.148 0.000 0.000) 0.148 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.001 ( 22.461 0.000 0.000) 22.461 1.030 ( 23.624 0.000 0.000) 23.624 1.657 ( 37.272 0.000 0.000) 37.272 2.774 ( 0.087 0.000 0.000) 0.087 3.149 ( 15.905 0.000 0.000) 15.905 3.695 ( -7.486 0.000 0.000) 7.486 4.397 ( 0.798 0.000 0.000) 0.798 4.626 ( 2.972 0.000 0.000) 2.972 5.493 ( -7.064 0.000 0.000) 7.064 6.009 ( -5.024 0.000 0.000) 5.024 6.130 ( 0.653 0.000 0.000) 0.653 6.881 ( -0.234 0.000 0.000) 0.234 8.457 ( 10.321 0.000 0.000) 10.321 9.229 ( 2.680 0.000 0.000) 2.680 10.403 ( 1.803 0.000 0.000) 1.803 11.032 ( -10.209 0.000 0.000) 10.209 11.246 ( -7.130 0.000 0.000) 7.130 11.385 ( -2.266 0.000 0.000) 2.266 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.432 ( 19.091 0.000 0.000) 19.091 1.494 ( 21.132 0.000 0.000) 21.132 2.358 ( 29.394 0.000 0.000) 29.394 2.772 ( -0.343 0.000 0.000) 0.343 3.500 ( 17.351 0.000 0.000) 17.351 3.538 ( -6.535 0.000 0.000) 6.535 4.431 ( 2.612 0.000 0.000) 2.612 4.702 ( 4.411 0.000 0.000) 4.411 5.342 ( -7.309 0.000 0.000) 7.309 5.883 ( -7.160 0.000 0.000) 7.160 6.146 ( 0.933 0.000 0.000) 0.933 6.847 ( -3.148 0.000 0.000) 3.148 8.713 ( 14.298 0.000 0.000) 14.298 9.305 ( 4.768 0.000 0.000) 4.768 10.447 ( 2.491 0.000 0.000) 2.491 10.798 ( -12.270 0.000 0.000) 12.270 11.064 ( -10.428 0.000 0.000) 10.428 11.312 ( -4.696 0.000 0.000) 4.696 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.785 ( 15.118 0.000 0.000) 15.118 1.896 ( 17.721 0.000 0.000) 17.721 2.756 ( -1.361 0.000 0.000) 1.361 2.766 ( 7.082 0.000 0.000) 7.082 3.528 ( 8.542 0.000 0.000) 8.542 3.839 ( 14.992 0.000 0.000) 14.992 4.508 ( 4.776 0.000 0.000) 4.776 4.809 ( 5.972 0.000 0.000) 5.972 5.195 ( -6.960 0.000 0.000) 6.960 5.717 ( -8.812 0.000 0.000) 8.812 6.171 ( 1.624 0.000 0.000) 1.624 6.751 ( -6.026 0.000 0.000) 6.026 9.039 ( 17.040 0.000 0.000) 17.040 9.426 ( 6.881 0.000 0.000) 6.881 10.508 ( 3.530 0.000 0.000) 3.530 10.535 ( -13.029 0.000 0.000) 13.029 10.818 ( -13.385 0.000 0.000) 13.385 11.194 ( -6.733 0.000 0.000) 6.733 ======================= Grid point 5 (6/140) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.062 ( 11.979 0.000 0.000) 11.979 2.221 ( 13.676 0.000 0.000) 13.676 2.711 ( -3.170 0.000 0.000) 3.170 2.711 ( -8.398 0.000 0.000) 8.398 3.827 ( 16.319 0.000 0.000) 16.319 4.097 ( 9.394 0.000 0.000) 9.394 4.622 ( 6.160 0.000 0.000) 6.160 4.950 ( 7.630 0.000 0.000) 7.630 5.052 ( -6.925 0.000 0.000) 6.925 5.524 ( -9.774 0.000 0.000) 9.774 6.220 ( 3.222 0.000 0.000) 3.222 6.607 ( -7.671 0.000 0.000) 7.671 9.408 ( 18.445 0.000 0.000) 18.445 9.587 ( 8.750 0.000 0.000) 8.750 10.267 ( -12.731 0.000 0.000) 12.731 10.515 ( -15.853 0.000 0.000) 15.853 10.596 ( 5.099 0.000 0.000) 5.099 11.040 ( -7.943 0.000 0.000) 7.943 ======================= Grid point 6 (7/140) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.292 ( 10.624 0.000 0.000) 10.624 2.460 ( 9.538 0.000 0.000) 9.538 2.509 ( -10.415 0.000 0.000) 10.415 2.618 ( -5.913 0.000 0.000) 5.913 4.106 ( 9.620 0.000 0.000) 9.620 4.203 ( 0.391 0.000 0.000) 0.391 4.758 ( 6.985 0.000 0.000) 6.985 4.906 ( -7.204 0.000 0.000) 7.204 5.123 ( 9.073 0.000 0.000) 9.073 5.320 ( -9.870 0.000 0.000) 9.870 6.310 ( 5.596 0.000 0.000) 5.596 6.447 ( -7.479 0.000 0.000) 7.479 9.785 ( 10.369 0.000 0.000) 10.369 9.792 ( 18.591 0.000 0.000) 18.591 10.014 ( -11.744 0.000 0.000) 11.744 10.168 ( -17.656 0.000 0.000) 17.656 10.720 ( 6.823 0.000 0.000) 6.823 10.874 ( -7.960 0.000 0.000) 7.960 ======================= Grid point 14 (8/140) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.690 ( 16.524 16.524 0.000) 23.368 0.718 ( 16.644 16.644 0.000) 23.539 1.214 ( 28.017 28.017 0.000) 39.622 2.867 ( 4.564 4.564 0.000) 6.454 2.883 ( 5.072 5.072 0.000) 7.173 3.780 ( -3.850 -3.850 0.000) 5.445 4.389 ( -0.041 -0.041 0.000) 0.058 4.550 ( -0.688 -0.688 0.000) 0.973 5.644 ( -1.435 -1.435 0.000) 2.029 6.033 ( -3.767 -3.767 0.000) 5.327 6.155 ( 1.871 1.871 0.000) 2.646 6.885 ( 1.313 1.313 0.000) 1.857 8.194 ( -2.012 -2.012 0.000) 2.846 9.203 ( 1.013 1.013 0.000) 1.432 10.480 ( 5.595 5.595 0.000) 7.913 11.154 ( -5.569 -5.569 0.000) 7.876 11.235 ( -7.686 -7.686 0.000) 10.870 11.478 ( 3.057 3.057 0.000) 4.323 ======================= Grid point 15 (9/140) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.102 ( 19.342 9.213 0.000) 21.424 1.106 ( 21.789 7.889 0.000) 23.173 1.843 ( 31.080 16.171 0.000) 35.035 2.872 ( -0.257 9.132 0.000) 9.135 3.144 ( 15.602 -0.469 0.000) 15.609 3.670 ( -6.528 -2.352 0.000) 6.939 4.395 ( 0.725 -0.169 0.000) 0.744 4.567 ( 2.158 -4.042 0.000) 4.583 5.548 ( -6.724 3.102 0.000) 7.406 5.942 ( -5.115 -4.915 0.000) 7.094 6.187 ( 1.305 3.890 0.000) 4.103 6.903 ( 0.000 1.903 0.000) 1.903 8.264 ( 7.727 -13.087 0.000) 15.198 9.237 ( 2.447 0.646 0.000) 2.531 10.571 ( 3.754 12.358 0.000) 12.916 10.982 ( -10.562 -4.957 0.000) 11.667 11.063 ( -9.259 -12.183 0.000) 15.302 11.513 ( 0.326 7.095 0.000) 7.103 ======================= Grid point 16 (10/140) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.486 ( 17.403 5.061 0.000) 18.123 1.548 ( 20.566 5.263 0.000) 21.229 2.437 ( 24.707 6.953 0.000) 25.666 2.860 ( -0.942 8.214 0.000) 8.268 3.489 ( 17.031 -1.099 0.000) 17.067 3.540 ( -4.720 0.428 0.000) 4.739 4.427 ( 2.565 -0.269 0.000) 2.580 4.632 ( 3.982 -5.612 0.000) 6.881 5.398 ( -7.369 4.080 0.000) 8.423 5.822 ( -6.475 -4.767 0.000) 8.040 6.210 ( 0.962 5.012 0.000) 5.104 6.873 ( -3.011 2.301 0.000) 3.789 8.480 ( 12.618 -18.141 0.000) 22.098 9.308 ( 4.522 0.035 0.000) 4.522 10.648 ( 3.940 15.993 0.000) 16.471 10.738 ( -12.874 -7.245 0.000) 14.772 10.845 ( -11.896 -13.410 0.000) 17.926 11.491 ( -2.420 10.925 0.000) 11.190 ======================= Grid point 17 (11/140) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.811 ( 14.055 2.513 0.000) 14.278 1.941 ( 17.343 4.271 0.000) 17.862 2.760 ( 4.574 -0.724 0.000) 4.630 2.830 ( -2.100 6.884 0.000) 7.197 3.568 ( 9.331 3.955 0.000) 10.134 3.822 ( 14.702 -1.698 0.000) 14.800 4.503 ( 4.703 -0.359 0.000) 4.717 4.728 ( 5.154 -6.540 0.000) 8.327 5.256 ( -6.163 4.664 0.000) 7.729 5.676 ( -7.674 -3.418 0.000) 8.401 6.231 ( 1.261 5.137 0.000) 5.289 6.779 ( -5.938 2.542 0.000) 6.459 8.771 ( 15.360 -21.177 0.000) 26.162 9.424 ( 6.706 -0.620 0.000) 6.734 10.458 ( -14.119 -10.945 0.000) 17.864 10.577 ( -13.802 -12.627 0.000) 18.707 10.738 ( 4.861 18.375 0.000) 19.008 11.415 ( -4.890 14.384 0.000) 15.192 ======================= Grid point 18 (12/140) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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 ( 11.183 0.789 0.000) 11.211 2.257 ( 13.063 3.359 0.000) 13.488 2.696 ( -7.593 -1.415 0.000) 7.724 2.770 ( -3.745 5.550 0.000) 6.696 3.851 ( 14.800 2.244 0.000) 14.969 4.075 ( 9.266 -2.115 0.000) 9.504 4.614 ( 5.803 -0.744 0.000) 5.851 4.828 ( 3.650 -7.780 0.000) 8.593 5.158 ( -2.598 6.337 0.000) 6.849 5.508 ( -8.422 -1.256 0.000) 8.515 6.270 ( 2.708 4.544 0.000) 5.290 6.637 ( -7.565 2.747 0.000) 8.048 9.105 ( 16.865 -23.302 0.000) 28.765 9.583 ( 8.687 -1.285 0.000) 8.782 10.154 ( -15.486 -17.301 0.000) 23.219 10.288 ( -13.853 -8.358 0.000) 16.179 10.851 ( 6.140 19.881 0.000) 20.808 11.294 ( -6.715 17.289 0.000) 18.547 ======================= Grid point 19 (13/140) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.283 ( 9.654 -0.685 0.000) 9.679 2.440 ( -0.550 -1.222 0.000) 1.340 2.558 ( 0.239 3.959 0.000) 3.966 2.672 ( -5.864 4.830 0.000) 7.597 4.101 ( 8.547 -0.375 0.000) 8.555 4.183 ( 0.802 -1.850 0.000) 2.016 4.734 ( 5.696 -2.207 0.000) 6.109 4.833 ( -3.161 -5.693 0.000) 6.511 5.187 ( 5.267 4.922 0.000) 7.209 5.334 ( -8.219 1.424 0.000) 8.341 6.350 ( 5.164 3.714 0.000) 6.361 6.481 ( -7.243 3.083 0.000) 7.871 9.461 ( 17.419 -24.145 0.000) 29.772 9.782 ( 10.498 -2.146 0.000) 10.715 9.818 ( -16.956 -22.664 0.000) 28.305 10.017 ( -12.286 -3.979 0.000) 12.914 10.990 ( 7.238 20.266 0.000) 21.519 11.145 ( -7.535 19.355 0.000) 20.770 ======================= Grid point 28 (14/140) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.345 ( 13.419 13.419 0.000) 18.977 1.356 ( 15.620 15.620 0.000) 22.091 2.236 ( 20.025 20.025 0.000) 28.319 3.124 ( 7.521 7.521 0.000) 10.637 3.129 ( 5.980 5.980 0.000) 8.457 3.609 ( -3.094 -3.094 0.000) 4.376 4.397 ( 0.603 0.603 0.000) 0.853 4.508 ( -1.261 -1.261 0.000) 1.784 5.554 ( -2.722 -2.722 0.000) 3.850 5.833 ( -5.500 -5.500 0.000) 7.778 6.263 ( 3.261 3.261 0.000) 4.611 6.939 ( 0.937 0.937 0.000) 1.325 8.084 ( -3.100 -3.100 0.000) 4.384 9.258 ( 1.573 1.573 0.000) 2.224 10.765 ( -14.970 -14.970 0.000) 21.171 10.807 ( 9.965 9.965 0.000) 14.093 10.857 ( -8.593 -8.593 0.000) 12.152 11.633 ( 4.425 4.425 0.000) 6.257 ======================= Grid point 29 (15/140) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.627 ( 13.379 8.189 0.000) 15.686 1.711 ( 17.925 10.451 0.000) 20.749 2.598 ( 13.252 7.313 0.000) 15.136 3.087 ( -2.593 12.983 0.000) 13.240 3.453 ( 16.174 -2.270 0.000) 16.332 3.575 ( 1.014 3.463 0.000) 3.608 4.428 ( 2.501 0.547 0.000) 2.560 4.517 ( 2.017 -4.761 0.000) 5.171 5.460 ( -5.663 1.272 0.000) 5.804 5.717 ( -5.637 -5.041 0.000) 7.563 6.319 ( 2.123 5.092 0.000) 5.516 6.925 ( -2.402 2.158 0.000) 3.229 8.127 ( 6.442 -13.740 0.000) 15.175 9.308 ( 3.424 0.195 0.000) 3.430 10.432 ( -17.079 -18.817 0.000) 25.412 10.654 ( -10.891 -8.050 0.000) 13.543 10.987 ( 7.749 15.449 0.000) 17.284 11.694 ( 1.432 8.422 0.000) 8.543 ======================= Grid point 30 (16/140) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.884 ( 11.357 4.371 0.000) 12.169 2.067 ( 16.004 7.743 0.000) 17.779 2.731 ( -0.082 -2.047 0.000) 2.049 3.019 ( -4.047 10.716 0.000) 11.455 3.690 ( 9.746 7.539 0.000) 12.321 3.770 ( 14.019 -3.189 0.000) 14.377 4.500 ( 4.392 0.302 0.000) 4.403 4.583 ( 4.073 -6.818 0.000) 7.942 5.348 ( -4.671 3.794 0.000) 6.018 5.601 ( -5.644 -3.429 0.000) 6.604 6.354 ( 1.416 6.163 0.000) 6.324 6.841 ( -5.509 3.017 0.000) 6.281 8.320 ( 11.709 -20.362 0.000) 23.489 9.402 ( 5.630 -1.322 0.000) 5.783 10.065 ( -18.343 -22.326 0.000) 28.895 10.416 ( -12.006 -7.088 0.000) 13.942 11.137 ( 6.983 18.727 0.000) 19.987 11.693 ( -1.416 12.128 0.000) 12.210 ======================= Grid point 31 (17/140) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.096 ( 9.280 1.773 0.000) 9.447 2.352 ( 10.873 5.616 0.000) 12.237 2.658 ( -5.020 -2.028 0.000) 5.414 2.922 ( -5.333 8.524 0.000) 10.054 3.917 ( 10.800 4.020 0.000) 11.524 4.013 ( 9.148 -3.614 0.000) 9.836 4.597 ( 4.576 -0.783 0.000) 4.643 4.667 ( 3.426 -7.548 0.000) 8.289 5.283 ( -1.312 5.719 0.000) 5.868 5.486 ( -5.445 -0.624 0.000) 5.480 6.386 ( 2.048 6.222 0.000) 6.551 6.708 ( -7.112 3.728 0.000) 8.030 8.596 ( 14.847 -24.184 0.000) 28.378 9.540 ( 7.705 -2.704 0.000) 8.166 9.680 ( -18.834 -24.935 0.000) 31.249 10.167 ( -11.912 -6.016 0.000) 13.345 11.279 ( 6.778 20.054 0.000) 21.168 11.638 ( -3.814 15.413 0.000) 15.878 ======================= Grid point 32 (18/140) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.273 ( 8.033 -0.057 0.000) 8.033 2.420 ( -5.021 -0.659 0.000) 5.064 2.657 ( 6.174 5.384 0.000) 8.192 2.799 ( -6.588 6.976 0.000) 9.595 4.094 ( 5.637 -0.283 0.000) 5.644 4.132 ( 2.055 -2.871 0.000) 3.531 4.676 ( 2.817 -3.267 0.000) 4.313 4.705 ( 0.125 -6.338 0.000) 6.339 5.299 ( 2.680 5.740 0.000) 6.335 5.379 ( -4.768 2.949 0.000) 5.606 6.449 ( 4.251 5.477 0.000) 6.933 6.563 ( -6.560 4.522 0.000) 7.968 8.927 ( 17.026 -26.062 0.000) 31.130 9.294 ( -18.398 -26.261 0.000) 32.065 9.718 ( 9.501 -3.888 0.000) 10.265 9.930 ( -10.964 -4.957 0.000) 12.032 11.416 ( 6.441 19.725 0.000) 20.750 11.541 ( -5.515 18.055 0.000) 18.879 ======================= Grid point 42 (19/140) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.807 ( 8.930 8.930 0.000) 12.629 1.966 ( 13.754 13.754 0.000) 19.451 2.696 ( 1.714 1.714 0.000) 2.424 3.309 ( 2.142 2.142 0.000) 3.029 3.453 ( 8.001 8.001 0.000) 11.315 3.691 ( 7.542 7.542 0.000) 10.666 4.452 ( -1.339 -1.339 0.000) 1.893 4.457 ( 2.312 2.312 0.000) 3.270 5.451 ( -1.741 -1.741 0.000) 2.462 5.621 ( -4.258 -4.258 0.000) 6.022 6.411 ( 3.694 3.694 0.000) 5.224 6.941 ( -0.881 -0.881 0.000) 1.246 7.952 ( -3.200 -3.200 0.000) 4.525 9.325 ( 1.593 1.593 0.000) 2.252 10.022 ( -20.579 -20.579 0.000) 29.103 10.468 ( -9.939 -9.939 0.000) 14.056 11.269 ( 11.889 11.889 0.000) 16.813 11.835 ( 5.184 5.184 0.000) 7.332 ======================= Grid point 43 (20/140) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.985 ( 8.202 5.339 0.000) 9.787 2.254 ( 13.468 10.160 0.000) 16.871 2.677 ( -2.934 -3.128 0.000) 4.288 3.232 ( -6.033 8.448 0.000) 10.382 3.709 ( 12.833 -1.721 0.000) 12.948 3.859 ( 8.048 8.236 0.000) 11.515 4.464 ( 2.230 -4.460 0.000) 4.987 4.519 ( 3.426 1.409 0.000) 3.704 5.410 ( -1.642 2.397 0.000) 2.906 5.544 ( -3.146 -1.955 0.000) 3.704 6.471 ( 2.215 4.942 0.000) 5.415 6.886 ( -4.296 0.970 0.000) 4.405 7.979 ( 5.297 -12.109 0.000) 13.217 9.379 ( 3.762 -0.611 0.000) 3.812 9.591 ( -20.957 -23.206 0.000) 31.268 10.251 ( -10.897 -8.799 0.000) 14.006 11.484 ( 9.169 14.727 0.000) 17.348 11.908 ( 1.977 8.608 0.000) 8.832 ======================= Grid point 44 (21/140) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.144 ( 7.214 2.947 0.000) 7.792 2.474 ( 4.470 5.404 0.000) 7.013 2.626 ( 1.453 -0.396 0.000) 1.506 3.093 ( -7.179 7.280 0.000) 10.224 3.940 ( 9.128 -3.022 0.000) 9.615 4.006 ( 5.914 4.247 0.000) 7.281 4.526 ( 3.250 -5.875 0.000) 6.714 4.583 ( 2.399 -0.618 0.000) 2.478 5.397 ( 0.434 5.382 0.000) 5.400 5.491 ( -2.001 1.246 0.000) 2.357 6.510 ( 1.867 5.420 0.000) 5.733 6.776 ( -6.037 2.550 0.000) 6.553 8.151 ( 10.950 -18.400 0.000) 21.411 9.165 ( -20.176 -24.566 0.000) 31.789 9.481 ( 6.067 -2.758 0.000) 6.665 10.026 ( -10.746 -7.547 0.000) 13.132 11.652 ( 7.186 15.884 0.000) 17.434 11.918 ( -0.922 11.597 0.000) 11.634 ======================= Grid point 45 (22/140) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.286 ( 6.590 1.375 0.000) 6.732 2.416 ( -5.824 0.340 0.000) 5.833 2.770 ( 8.592 5.352 0.000) 10.122 2.939 ( -7.773 6.113 0.000) 9.889 4.074 ( 3.722 -2.495 0.000) 4.481 4.091 ( 1.958 0.017 0.000) 1.958 4.583 ( 2.096 -5.341 0.000) 5.737 4.607 ( -0.110 -3.233 0.000) 3.235 5.422 ( 1.680 6.164 0.000) 6.389 5.456 ( -1.579 4.463 0.000) 4.734 6.561 ( 3.354 4.986 0.000) 6.010 6.653 ( -5.482 3.910 0.000) 6.733 8.421 ( 15.086 -22.362 0.000) 26.975 8.767 ( -18.192 -24.355 0.000) 30.399 9.628 ( 8.116 -4.613 0.000) 9.336 9.813 ( -9.733 -6.178 0.000) 11.528 11.782 ( 5.390 15.531 0.000) 16.439 11.873 ( -3.372 13.991 0.000) 14.392 ======================= Grid point 56 (23/140) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.100 ( 5.659 5.659 0.000) 8.004 2.473 ( 10.535 10.535 0.000) 14.899 2.607 ( -3.453 -3.453 0.000) 4.883 3.299 ( -2.308 -2.308 0.000) 3.265 3.755 ( 6.357 6.357 0.000) 8.990 4.004 ( 5.350 5.350 0.000) 7.567 4.411 ( -0.497 -0.497 0.000) 0.703 4.551 ( 1.469 1.469 0.000) 2.078 5.456 ( 2.243 2.243 0.000) 3.172 5.523 ( -0.064 -0.064 0.000) 0.091 6.553 ( 3.066 3.066 0.000) 4.335 6.874 ( -2.174 -2.174 0.000) 3.075 7.827 ( -2.826 -2.826 0.000) 3.996 9.119 ( -22.330 -22.330 0.000) 31.579 9.384 ( 1.254 1.254 0.000) 1.773 10.059 ( -9.594 -9.594 0.000) 13.568 11.746 ( 10.759 10.759 0.000) 15.216 12.048 ( 4.995 4.995 0.000) 7.064 ======================= Grid point 57 (24/140) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.217 ( 5.620 4.021 0.000) 6.910 2.523 ( -3.967 -0.374 0.000) 3.984 2.689 ( 9.426 6.011 0.000) 11.180 3.190 ( -7.012 1.538 0.000) 7.179 3.912 ( 7.542 0.762 0.000) 7.580 4.078 ( 2.051 2.466 0.000) 3.207 4.435 ( 2.377 -2.674 0.000) 3.577 4.568 ( -0.029 -0.888 0.000) 0.888 5.506 ( 2.517 5.158 0.000) 5.739 5.537 ( 1.201 3.076 0.000) 3.302 6.602 ( 1.944 3.482 0.000) 3.988 6.804 ( -4.219 0.120 0.000) 4.220 7.852 ( 4.940 -10.411 0.000) 11.524 8.679 ( -19.972 -22.138 0.000) 29.816 9.435 ( 3.687 -1.492 0.000) 3.977 9.863 ( -9.273 -8.069 0.000) 12.292 11.933 ( 7.409 11.344 0.000) 13.549 12.116 ( 1.597 7.554 0.000) 7.720 ======================= Grid point 58 (25/140) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.330 ( 5.286 2.784 0.000) 5.974 2.433 ( -4.687 1.240 0.000) 4.848 2.870 ( 8.235 4.228 0.000) 9.257 3.035 ( -7.777 2.906 0.000) 8.302 4.039 ( 4.443 -0.778 0.000) 4.511 4.092 ( -0.799 0.037 0.000) 0.800 4.493 ( 2.945 -3.218 0.000) 4.362 4.546 ( -2.006 -2.568 0.000) 3.259 5.550 ( 1.453 6.123 0.000) 6.293 5.559 ( 0.553 5.318 0.000) 5.347 6.646 ( 2.568 3.139 0.000) 4.056 6.715 ( -4.074 1.968 0.000) 4.525 8.020 ( 11.149 -16.250 0.000) 19.707 8.304 ( -16.187 -20.151 0.000) 25.847 9.536 ( 6.072 -4.058 0.000) 7.303 9.683 ( -8.018 -6.250 0.000) 10.166 12.055 ( 4.436 10.894 0.000) 11.762 12.116 ( -1.514 9.567 0.000) 9.686 ======================= Grid point 70 (26/140) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.306 ( 4.485 4.485 0.000) 6.342 2.501 ( -1.439 -1.439 0.000) 2.035 2.820 ( 6.200 6.200 0.000) 8.768 3.159 ( -3.871 -3.871 0.000) 5.474 3.965 ( 3.764 3.764 0.000) 5.323 4.105 ( 0.218 0.218 0.000) 0.308 4.417 ( 0.700 0.700 0.000) 0.990 4.543 ( -1.605 -1.605 0.000) 2.270 5.604 ( 4.133 4.133 0.000) 5.846 5.608 ( 3.491 3.491 0.000) 4.937 6.656 ( 1.880 1.880 0.000) 2.659 6.783 ( -1.985 -1.985 0.000) 2.807 7.722 ( -2.143 -2.143 0.000) 3.030 8.262 ( -18.017 -18.017 0.000) 25.479 9.426 ( 0.765 0.765 0.000) 1.082 9.701 ( -7.404 -7.404 0.000) 10.471 12.124 ( 7.225 7.225 0.000) 10.218 12.231 ( 3.684 3.684 0.000) 5.210 ======================= Grid point 71 (27/140) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.394 ( 3.908 3.267 0.000) 5.093 2.461 ( -2.526 1.318 0.000) 2.849 2.941 ( 5.640 2.651 0.000) 6.232 3.057 ( -5.548 -0.536 0.000) 5.574 4.042 ( 3.263 0.936 0.000) 3.394 4.091 ( -1.482 -0.121 0.000) 1.487 4.451 ( 2.318 -0.895 0.000) 2.485 4.502 ( -2.355 -1.811 0.000) 2.971 5.665 ( 1.637 4.653 0.000) 4.932 5.666 ( 1.607 4.847 0.000) 5.106 6.691 ( 1.742 1.308 0.000) 2.178 6.734 ( -2.448 0.003 0.000) 2.448 7.759 ( 5.561 -8.858 0.000) 10.459 7.946 ( -12.387 -14.273 0.000) 18.898 9.469 ( 3.373 -2.280 0.000) 4.071 9.564 ( -5.730 -5.068 0.000) 7.649 12.234 ( 3.509 6.532 0.000) 7.414 12.270 ( 0.045 5.337 0.000) 5.337 ======================= Grid point 84 (28/140) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.454 ( 2.190 2.190 0.000) 3.097 2.477 ( -0.051 -0.051 0.000) 0.073 2.986 ( 1.934 1.934 0.000) 2.735 3.027 ( -1.981 -1.981 0.000) 2.802 4.067 ( 1.201 1.201 0.000) 1.699 4.085 ( -0.551 -0.551 0.000) 0.780 4.450 ( 0.598 0.598 0.000) 0.846 4.470 ( -1.272 -1.272 0.000) 1.799 5.737 ( 1.964 1.964 0.000) 2.778 5.738 ( 1.864 1.864 0.000) 2.637 6.708 ( 0.662 0.662 0.000) 0.936 6.724 ( -0.784 -0.784 0.000) 1.108 7.658 ( -0.849 -0.849 0.000) 1.201 7.724 ( -7.099 -7.099 0.000) 10.040 9.447 ( 0.253 0.253 0.000) 0.358 9.480 ( -2.902 -2.902 0.000) 4.104 12.327 ( 2.507 2.507 0.000) 3.545 12.338 ( 1.367 1.367 0.000) 1.933 ======================= Grid point 169 (29/140) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.473 ( 0.000 0.000 24.279) 24.279 0.473 ( -0.000 0.000 24.279) 24.279 0.588 ( 0.000 0.000 30.186) 30.186 2.742 ( -0.000 -0.000 -2.885) 2.885 2.742 ( 0.000 0.000 -2.885) 2.885 3.822 ( 0.000 0.000 -4.598) 4.598 4.553 ( 0.000 0.000 -1.081) 1.081 4.553 ( -0.000 0.000 -1.081) 1.081 6.115 ( 0.000 0.000 0.005) 0.005 6.115 ( 0.000 0.000 0.005) 0.005 6.372 ( 0.000 0.000 -0.062) 0.062 6.850 ( 0.000 0.000 -0.443) 0.443 8.239 ( 0.000 0.000 0.136) 0.136 8.239 ( 0.000 0.000 0.136) 0.136 9.181 ( 0.000 0.000 0.078) 0.078 11.394 ( 0.000 0.000 -0.039) 0.039 11.394 ( 0.000 0.000 -0.039) 0.039 12.894 ( 0.000 0.000 0.405) 0.405 ======================= Grid point 170 (30/140) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.486 ( 16.607 0.000 6.695) 17.906 0.701 ( 18.282 0.000 15.781) 24.152 1.121 ( 32.079 0.000 20.055) 37.832 2.746 ( 0.359 0.000 -2.635) 2.660 2.848 ( 9.751 0.000 -2.835) 10.155 3.780 ( -3.631 0.000 -3.719) 5.198 4.478 ( -4.035 0.000 4.072) 5.733 4.568 ( 1.475 0.000 -1.138) 1.862 5.640 ( -18.957 0.000 1.344) 19.005 6.088 ( -2.581 0.000 0.008) 2.582 6.297 ( -1.196 0.000 12.413) 12.471 6.860 ( 0.777 0.000 -0.771) 1.095 8.295 ( 5.403 0.000 0.132) 5.405 9.188 ( 2.927 0.000 -1.922) 3.502 9.313 ( 46.631 0.000 -42.824) 63.311 11.357 ( -3.617 0.000 -0.039) 3.617 11.369 ( -2.694 0.000 0.238) 2.704 12.180 ( -39.992 0.000 35.232) 53.297 ======================= Grid point 171 (31/140) ======================= q-point: ( 0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.923 ( 22.489 0.000 -4.917) 23.020 1.120 ( 21.071 0.000 8.793) 22.832 1.794 ( 32.015 0.000 11.134) 33.896 2.755 ( 0.445 0.000 -1.986) 2.035 3.111 ( 14.663 0.000 -3.431) 15.059 3.690 ( -4.417 0.000 -0.308) 4.428 4.427 ( -1.050 0.000 2.378) 2.599 4.614 ( 2.930 0.000 -1.245) 3.184 5.384 ( -8.946 0.000 -8.114) 12.077 6.010 ( -5.019 0.000 0.017) 5.019 6.280 ( -0.523 0.000 11.892) 11.904 6.868 ( -0.402 0.000 -1.301) 1.362 8.458 ( 10.310 0.000 0.116) 10.311 9.231 ( 2.760 0.000 0.245) 2.771 9.956 ( 19.148 0.000 -28.903) 34.671 11.245 ( -7.130 0.000 -0.039) 7.130 11.250 ( -10.305 0.000 5.182) 11.535 11.589 ( -17.879 0.000 21.258) 27.777 ======================= Grid point 172 (32/140) ======================= q-point: ( 0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.365 ( 19.824 0.000 -6.007) 20.715 1.545 ( 19.760 0.000 5.114) 20.411 2.393 ( 24.376 0.000 1.933) 24.453 2.761 ( 0.023 0.000 -1.181) 1.181 3.379 ( 8.762 0.000 -4.933) 10.056 3.670 ( 5.619 0.000 7.030) 9.000 4.431 ( 1.425 0.000 -0.063) 1.426 4.690 ( 4.440 0.000 -1.270) 4.618 5.220 ( -7.305 0.000 -10.376) 12.689 5.883 ( -7.157 0.000 0.027) 7.157 6.274 ( -0.025 0.000 10.897) 10.897 6.835 ( -2.868 0.000 -1.232) 3.122 8.714 ( 14.282 0.000 0.089) 14.283 9.307 ( 4.658 0.000 0.237) 4.664 10.232 ( 9.285 0.000 -15.616) 18.168 10.951 ( -16.357 0.000 9.196) 18.764 11.064 ( -10.427 0.000 -0.038) 10.427 11.360 ( -7.537 0.000 4.947) 9.015 ======================= Grid point 173 (33/140) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.734 ( 15.880 0.000 -5.047) 16.663 1.925 ( 16.865 0.000 2.869) 17.107 2.707 ( 4.640 0.000 -6.302) 7.826 2.751 ( -1.086 0.000 -0.478) 1.186 3.551 ( 12.222 0.000 3.315) 12.664 3.903 ( 13.326 0.000 5.638) 14.469 4.485 ( 3.757 0.000 -2.201) 4.355 4.798 ( 6.093 0.000 -1.113) 6.194 5.076 ( -6.754 0.000 -10.751) 12.696 5.717 ( -8.821 0.000 0.023) 8.821 6.281 ( 0.752 0.000 9.738) 9.767 6.750 ( -5.210 0.000 -0.098) 5.211 9.040 ( 17.023 0.000 0.056) 17.023 9.424 ( 6.608 0.000 -0.174) 6.611 10.372 ( 3.958 0.000 -8.073) 8.991 10.634 ( -13.040 0.000 4.488) 13.791 10.817 ( -13.383 0.000 -0.035) 13.383 11.209 ( -7.591 0.000 1.420) 7.722 ======================= Grid point 174 (34/140) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.025 ( 12.539 0.000 -3.753) 13.088 2.236 ( 13.161 0.000 1.456) 13.241 2.654 ( -7.158 0.000 -5.586) 9.080 2.710 ( -3.006 0.000 -0.014) 3.006 3.865 ( 15.724 0.000 3.710) 16.156 4.142 ( 8.935 0.000 4.374) 9.948 4.578 ( 4.985 0.000 -4.302) 6.585 4.939 ( -6.568 0.000 -10.684) 12.542 4.942 ( 7.804 0.000 -0.794) 7.845 5.524 ( -9.816 0.000 -0.026) 9.816 6.311 ( 2.298 0.000 8.375) 8.685 6.627 ( -6.490 0.000 1.977) 6.784 9.408 ( 18.431 0.000 0.023) 18.431 9.580 ( 8.477 0.000 -0.776) 8.513 10.263 ( -12.375 0.000 -0.379) 12.381 10.515 ( -15.849 0.000 -0.029) 15.849 10.568 ( 4.888 0.000 -2.803) 5.635 11.043 ( -8.433 0.000 0.178) 8.435 ======================= Grid point 175 (35/140) ======================= q-point: ( 0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.262 ( 10.705 0.000 -2.979) 11.111 2.467 ( 9.278 0.000 0.666) 9.302 2.473 ( -9.731 0.000 -3.493) 10.339 2.621 ( -5.776 0.000 0.279) 5.783 4.137 ( 9.733 0.000 2.965) 10.174 4.240 ( 0.009 0.000 3.681) 3.681 4.686 ( 5.477 0.000 -6.991) 8.881 4.806 ( -6.190 0.000 -9.669) 11.481 5.118 ( 9.231 0.000 -0.438) 9.241 5.318 ( -9.969 0.000 -0.169) 9.970 6.381 ( 4.494 0.000 6.646) 8.023 6.493 ( -6.224 0.000 4.427) 7.638 9.774 ( 10.306 0.000 -1.165) 10.372 9.792 ( 18.581 0.000 -0.002) 18.581 10.005 ( -12.032 0.000 -0.931) 12.068 10.168 ( -17.649 0.000 -0.019) 17.649 10.701 ( 7.422 0.000 -1.851) 7.649 10.866 ( -8.444 0.000 -0.755) 8.477 ======================= Grid point 183 (36/140) ======================= q-point: ( 0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.664 ( 15.055 15.055 -0.010) 21.291 0.831 ( 13.483 13.483 13.299) 23.247 1.410 ( 23.344 23.344 15.625) 36.525 2.841 ( 4.634 4.634 -2.700) 7.088 2.858 ( 5.132 5.132 -2.443) 7.658 3.748 ( -2.968 -2.968 -2.962) 5.137 4.464 ( -1.647 -1.647 4.917) 5.441 4.544 ( -0.443 -0.443 -0.559) 0.839 5.518 ( -7.940 -7.940 -6.830) 13.143 6.148 ( 1.586 1.586 -0.631) 2.331 6.243 ( -3.020 -3.020 14.028) 14.664 6.873 ( 0.992 0.992 -1.157) 1.819 8.196 ( -1.969 -1.969 0.237) 2.795 9.205 ( 1.098 1.098 0.287) 1.579 9.746 ( 27.202 27.202 -38.735) 54.592 11.235 ( -7.696 -7.696 -0.064) 10.884 11.417 ( -0.110 -0.110 1.581) 1.589 11.892 ( -20.227 -20.227 32.284) 43.134 ======================= Grid point 184 (37/140) ======================= q-point: ( 0.15 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.034 ( 19.378 9.914 -4.820) 22.294 1.192 ( 19.660 7.396 8.437) 22.636 1.948 ( 26.833 13.515 8.460) 31.213 2.853 ( 0.188 9.143 -1.833) 9.327 3.110 ( 14.557 -0.092 -2.973) 14.858 3.672 ( -3.666 -1.603 0.326) 4.014 4.429 ( -1.065 0.280 2.918) 3.119 4.569 ( 2.506 -3.374 0.168) 4.207 5.364 ( -7.078 -2.079 -12.666) 14.657 6.067 ( -6.891 4.174 4.590) 9.272 6.252 ( 1.752 -2.450 8.571) 9.085 6.885 ( -0.223 1.471 -1.803) 2.338 8.265 ( 7.598 -12.890 0.061) 14.963 9.241 ( 2.485 0.742 0.432) 2.629 10.189 ( 15.779 17.373 -24.220) 33.725 11.044 ( -10.773 -12.014 0.141) 16.137 11.284 ( -13.528 -4.561 12.243) 18.807 11.598 ( -6.405 2.194 10.514) 12.505 ======================= Grid point 185 (38/140) ======================= q-point: ( 0.23 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.426 ( 18.053 5.717 -5.394) 19.690 1.600 ( 19.254 5.286 5.126) 20.614 2.451 ( 19.983 5.036 -0.055) 20.608 2.852 ( -0.371 8.516 -0.729) 8.555 3.389 ( 10.413 1.024 -3.848) 11.149 3.661 ( 5.284 -0.738 6.860) 8.691 4.430 ( 1.270 0.100 0.360) 1.324 4.640 ( 4.239 -4.217 0.663) 6.016 5.223 ( -6.507 -0.001 -13.532) 15.015 5.910 ( -8.107 2.041 4.537) 9.512 6.282 ( 1.170 0.786 7.511) 7.642 6.855 ( -2.779 1.772 -1.843) 3.776 8.478 ( 12.555 -18.105 -0.142) 22.033 9.312 ( 4.388 0.116 0.350) 4.403 10.432 ( 8.285 14.903 -13.218) 21.575 10.793 ( -13.277 -14.713 0.580) 19.827 10.972 ( -14.919 -3.873 9.269) 17.986 11.515 ( -3.604 10.161 2.388) 11.043 ======================= Grid point 186 (39/140) ======================= q-point: ( 0.31 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.766 ( 14.758 3.060 -4.457) 15.717 1.972 ( 16.514 4.396 2.973) 17.345 2.692 ( 2.878 -1.038 -6.646) 7.317 2.834 ( -1.671 7.286 0.052) 7.475 3.590 ( 12.320 3.703 3.038) 13.218 3.883 ( 12.941 -1.861 5.429) 14.156 4.482 ( 3.655 -0.148 -1.834) 4.092 4.739 ( 5.153 -4.924 0.923) 7.187 5.100 ( -5.131 1.878 -12.920) 14.028 5.734 ( -8.939 1.348 3.350) 9.640 6.305 ( 1.185 2.215 7.159) 7.587 6.772 ( -5.154 1.931 -0.792) 5.561 8.769 ( 15.355 -21.227 -0.212) 26.199 9.423 ( 6.416 -0.547 -0.103) 6.440 10.452 ( -11.206 -6.685 -0.771) 13.072 10.552 ( -9.250 -9.288 -2.188) 13.290 10.743 ( -2.610 11.140 0.327) 11.446 11.424 ( -5.359 14.172 0.826) 15.174 ======================= Grid point 187 (40/140) ======================= q-point: ( 0.38 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.037 ( 11.702 1.244 -3.259) 12.210 2.274 ( 12.564 3.520 1.625) 13.149 2.637 ( -6.208 -1.211 -5.422) 8.331 2.776 ( -3.810 5.832 0.332) 6.975 3.884 ( 14.365 1.880 3.365) 14.873 4.117 ( 8.814 -2.369 4.108) 10.008 4.572 ( 4.757 -0.464 -3.825) 6.122 4.818 ( 0.825 -6.218 -2.220) 6.653 5.044 ( 1.248 4.656 -8.715) 9.960 5.543 ( -9.543 1.662 1.980) 9.887 6.339 ( 2.328 2.608 6.582) 7.452 6.650 ( -6.421 2.072 1.228) 6.858 9.103 ( 16.887 -23.358 -0.192) 28.824 9.576 ( 8.404 -1.211 -0.733) 8.523 10.154 ( -15.655 -17.382 0.025) 23.393 10.288 ( -14.163 -8.077 0.024) 16.304 10.824 ( 6.598 19.882 -2.810) 21.135 11.295 ( -7.066 17.221 0.057) 18.615 ======================= Grid point 188 (41/140) ======================= q-point: ( 0.46 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.257 ( 9.807 -0.260 -2.511) 10.127 2.429 ( -3.811 -1.488 -1.508) 4.360 2.544 ( 4.025 4.611 -0.919) 6.189 2.676 ( -5.952 4.944 0.399) 7.748 4.131 ( 8.690 -0.516 2.867) 9.165 4.218 ( 0.477 -2.040 3.497) 4.077 4.671 ( 4.724 -1.380 -6.044) 7.794 4.766 ( -4.364 -3.410 -7.134) 9.032 5.157 ( 8.159 3.371 -1.981) 9.048 5.344 ( -9.571 2.377 0.428) 9.871 6.407 ( 4.387 2.499 5.447) 7.427 6.518 ( -6.119 2.264 3.559) 7.432 9.459 ( 17.441 -24.163 -0.141) 29.800 9.770 ( 10.422 -2.096 -1.134) 10.691 9.816 ( -16.948 -22.559 -0.113) 28.216 10.008 ( -12.615 -4.039 -0.865) 13.274 10.974 ( 7.776 20.339 -1.631) 21.836 11.138 ( -7.938 19.356 -0.680) 20.931 ======================= Grid point 197 (42/140) ======================= q-point: ( 0.15 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.290 ( 14.032 14.032 -4.635) 20.378 1.425 ( 14.601 14.601 6.905) 21.773 2.277 ( 16.549 16.549 2.536) 23.541 3.101 ( 7.589 7.589 -2.347) 10.987 3.111 ( 6.514 6.514 -0.801) 9.246 3.636 ( -1.328 -1.328 2.485) 3.114 4.437 ( 0.255 0.255 3.769) 3.786 4.517 ( -0.850 -0.850 0.834) 1.463 5.300 ( -3.944 -3.944 -16.582) 17.495 6.078 ( -4.818 -4.818 15.717) 17.130 6.243 ( 2.904 2.904 -2.049) 4.590 6.911 ( 0.555 0.555 -2.759) 2.869 8.089 ( -3.066 -3.066 0.418) 4.356 9.264 ( 1.617 1.617 0.592) 2.362 10.517 ( 12.606 12.606 -15.494) 23.619 10.764 ( -14.972 -14.972 -0.096) 21.174 11.112 ( -9.903 -9.903 11.915) 18.388 11.664 ( 3.138 3.138 3.053) 5.386 ======================= Grid point 198 (43/140) ======================= q-point: ( 0.23 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.585 ( 14.000 9.177 -3.941) 17.197 1.760 ( 16.975 10.083 4.815) 20.323 2.565 ( 9.984 5.047 -4.173) 11.940 3.088 ( -1.655 13.550 0.247) 13.653 3.414 ( 14.559 0.831 -1.389) 14.649 3.657 ( 4.592 1.251 6.155) 7.781 4.443 ( 0.862 1.285 1.590) 2.218 4.546 ( 3.171 -4.293 2.708) 5.985 5.212 ( -4.206 -1.013 -16.629) 17.183 5.932 ( -8.191 -0.764 12.825) 15.236 6.313 ( 3.129 2.420 -0.022) 3.956 6.894 ( -2.299 1.586 -3.098) 4.172 8.130 ( 6.286 -13.522 0.236) 14.914 9.314 ( 3.310 0.278 0.533) 3.364 10.431 ( -17.045 -18.839 -0.065) 25.406 10.631 ( -3.988 -0.752 -2.319) 4.674 10.988 ( 0.973 8.370 0.151) 8.428 11.707 ( 0.929 8.078 1.280) 8.232 ======================= Grid point 199 (44/140) ======================= q-point: ( 0.31 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.855 ( 11.963 5.357 -2.875) 13.419 2.098 ( 15.272 7.654 3.034) 17.350 2.663 ( 0.001 -1.786 -6.614) 6.851 3.030 ( -3.905 11.117 0.947) 11.821 3.690 ( 12.518 4.744 1.205) 13.441 3.837 ( 11.253 -1.632 5.442) 12.606 4.485 ( 3.160 0.430 -0.723) 3.270 4.627 ( 4.212 -5.293 3.497) 7.615 5.140 ( -2.333 1.958 -14.681) 14.994 5.758 ( -8.471 0.652 9.332) 12.620 6.366 ( 2.144 3.582 1.663) 4.494 6.819 ( -4.834 2.287 -2.290) 5.818 8.320 ( 11.613 -20.207 -0.043) 23.306 9.403 ( 5.368 -1.182 0.131) 5.498 10.065 ( -18.342 -22.357 -0.044) 28.919 10.431 ( -12.407 -6.831 1.577) 14.251 11.099 ( 7.268 18.554 -3.832) 20.291 11.699 ( -1.733 11.996 0.522) 12.132 ======================= Grid point 200 (45/140) ======================= q-point: ( 0.38 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.077 ( 9.687 2.645 -1.848) 10.210 2.370 ( 10.111 5.443 1.640) 11.599 2.610 ( -3.442 -1.236 -4.468) 5.774 2.932 ( -5.494 8.722 0.914) 10.348 3.937 ( 10.981 2.819 2.109) 11.531 4.052 ( 8.560 -3.486 3.660) 9.941 4.561 ( 3.861 -0.648 -2.480) 4.634 4.693 ( 1.522 -5.564 1.093) 5.871 5.138 ( 2.587 4.606 -10.044) 11.348 5.584 ( -8.441 2.151 5.655) 10.386 6.411 ( 2.422 4.114 2.595) 5.434 6.704 ( -6.092 2.841 -0.482) 6.739 8.595 ( 14.831 -24.121 -0.155) 28.316 9.535 ( 7.440 -2.516 -0.446) 7.866 9.679 ( -18.842 -24.941 -0.050) 31.258 10.169 ( -12.529 -6.006 0.220) 13.896 11.252 ( 7.375 20.145 -2.678) 21.619 11.638 ( -4.118 15.335 -0.075) 15.879 ======================= Grid point 201 (46/140) ======================= q-point: ( 0.46 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.260 ( 8.100 0.642 -1.320) 8.232 2.408 ( -5.544 -0.502 -1.280) 5.712 2.654 ( 7.299 5.833 -0.088) 9.344 2.805 ( -6.803 7.065 0.625) 9.828 4.118 ( 5.949 -0.703 2.443) 6.470 4.163 ( 1.780 -3.070 3.050) 4.680 4.633 ( 3.008 -2.179 -3.698) 5.241 4.685 ( -1.849 -4.064 -2.861) 5.302 5.245 ( 7.154 4.972 -3.559) 9.411 5.409 ( -8.405 3.826 1.506) 9.357 6.476 ( 4.063 3.924 2.651) 6.239 6.579 ( -5.732 3.403 1.509) 6.834 8.925 ( 17.049 -26.046 -0.141) 31.130 9.293 ( -18.423 -26.261 -0.086) 32.078 9.709 ( 9.416 -3.688 -0.842) 10.147 9.923 ( -11.210 -4.816 -0.698) 12.220 11.400 ( 6.907 19.726 -1.576) 20.960 11.533 ( -5.876 18.004 -0.739) 18.953 ======================= Grid point 211 (47/140) ======================= q-point: ( 0.23 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.784 ( 9.768 9.768 -2.284) 14.001 2.005 ( 13.173 13.173 3.840) 19.021 2.632 ( 1.210 1.210 -6.421) 6.645 3.339 ( 2.973 2.973 3.377) 5.393 3.433 ( 8.057 8.057 -2.043) 11.577 3.744 ( 6.817 6.817 4.893) 10.812 4.479 ( -0.851 -0.851 2.730) 2.983 4.489 ( 2.210 2.210 3.279) 4.530 5.189 ( -0.963 -0.963 -16.363) 16.419 5.870 ( -4.817 -4.817 15.183) 16.641 6.378 ( 3.471 3.471 -3.320) 5.925 6.903 ( -0.996 -0.996 -3.882) 4.129 7.956 ( -3.218 -3.218 0.455) 4.574 9.331 ( 1.564 1.564 0.603) 2.293 10.021 ( -20.568 -20.568 -0.077) 29.088 10.491 ( -10.028 -10.028 2.322) 14.371 11.225 ( 11.938 11.938 -4.363) 17.437 11.842 ( 4.936 4.936 0.718) 7.017 ======================= Grid point 212 (48/140) ======================= q-point: ( 0.31 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.977 ( 8.778 6.303 -0.892) 10.843 2.280 ( 12.880 9.785 2.581) 16.380 2.620 ( -1.997 -2.373 -5.524) 6.335 3.255 ( -6.439 9.172 2.152) 11.411 3.700 ( 13.116 -1.942 -0.536) 13.270 3.901 ( 7.674 6.582 3.939) 10.850 4.482 ( 1.602 -1.440 2.114) 3.018 4.558 ( 3.427 -0.421 3.659) 5.031 5.186 ( 0.967 2.606 -13.926) 14.201 5.754 ( -6.067 -1.071 12.365) 13.815 6.444 ( 2.843 3.756 -2.566) 5.364 6.852 ( -3.828 0.592 -3.505) 5.224 7.982 ( 5.153 -12.011 0.245) 13.072 9.383 ( 3.595 -0.508 0.396) 3.652 9.591 ( -20.947 -23.197 -0.052) 31.256 10.264 ( -11.497 -9.082 1.302) 14.709 11.449 ( 9.708 15.032 -3.498) 18.233 11.911 ( 1.735 8.456 0.250) 8.636 ======================= Grid point 213 (49/140) ======================= q-point: ( 0.38 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.145 ( 7.458 3.825 -0.020) 8.382 2.477 ( 2.056 3.928 -0.069) 4.434 2.604 ( 4.634 1.566 -1.671) 5.169 3.108 ( -7.555 7.479 1.438) 10.727 3.938 ( 9.633 -2.842 0.163) 10.045 4.041 ( 5.615 2.858 3.276) 7.101 4.530 ( 2.613 -2.639 0.801) 3.800 4.612 ( 1.473 -1.810 2.454) 3.387 5.240 ( 4.397 5.382 -9.618) 11.866 5.628 ( -6.100 2.124 7.670) 10.027 6.497 ( 2.519 4.035 -1.119) 4.887 6.755 ( -5.241 1.901 -2.131) 5.969 8.151 ( 10.865 -18.329 -0.005) 21.307 9.164 ( -20.184 -24.561 -0.049) 31.790 9.481 ( 5.863 -2.537 -0.010) 6.388 10.028 ( -11.148 -7.538 0.217) 13.459 11.628 ( 7.652 16.013 -2.441) 17.915 11.916 ( -1.196 11.489 -0.260) 11.554 ======================= Grid point 214 (50/140) ======================= q-point: ( 0.46 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.287 ( 6.408 2.044 0.098) 6.727 2.409 ( -5.335 0.686 -0.655) 5.418 2.774 ( 8.809 5.488 0.419) 10.387 2.947 ( -8.037 6.141 0.813) 10.147 4.087 ( 4.517 -2.565 1.415) 5.384 4.118 ( 1.403 -0.755 2.584) 3.036 4.580 ( 2.107 -2.925 -0.153) 3.608 4.615 ( -1.064 -2.556 0.460) 2.806 5.359 ( 6.652 6.010 -3.972) 9.806 5.498 ( -6.587 4.690 1.989) 8.327 6.558 ( 3.560 3.757 -0.246) 5.181 6.647 ( -4.967 2.970 -0.661) 5.825 8.420 ( 15.077 -22.338 -0.097) 26.950 8.766 ( -18.210 -24.349 -0.079) 30.405 9.625 ( 8.021 -4.345 -0.345) 9.129 9.810 ( -9.860 -5.971 -0.330) 11.532 11.766 ( 5.770 15.532 -1.578) 16.644 11.865 ( -3.693 13.923 -0.863) 14.431 ======================= Grid point 225 (51/140) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.108 ( 6.241 6.241 0.695) 8.854 2.490 ( 10.076 10.076 1.703) 14.351 2.568 ( -2.478 -2.478 -3.774) 5.151 3.328 ( -2.734 -2.734 2.955) 4.866 3.738 ( 6.481 6.481 -1.612) 9.306 4.028 ( 4.956 4.956 2.360) 7.395 4.458 ( -0.066 -0.066 4.663) 4.664 4.579 ( 1.385 1.385 2.756) 3.381 5.255 ( 4.250 4.250 -11.562) 13.031 5.719 ( -2.078 -2.078 11.143) 11.524 6.515 ( 3.030 3.030 -3.870) 5.774 6.837 ( -2.025 -2.025 -3.740) 4.710 7.829 ( -2.882 -2.882 0.284) 4.085 9.118 ( -22.323 -22.323 -0.035) 31.570 9.389 ( 1.251 1.251 0.503) 1.839 10.066 ( -9.853 -9.853 0.694) 13.952 11.718 ( 11.093 11.093 -2.809) 15.937 12.048 ( 4.805 4.805 -0.088) 6.797 ======================= Grid point 226 (52/140) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.232 ( 5.734 4.546 1.435) 7.457 2.507 ( -3.090 -0.098 -1.560) 3.463 2.695 ( 9.199 6.096 0.620) 11.053 3.206 ( -7.610 1.438 1.705) 7.931 3.904 ( 8.120 0.407 -0.713) 8.161 4.099 ( 2.007 2.070 2.041) 3.532 4.481 ( 1.977 -1.455 4.565) 5.183 4.594 ( -0.095 -0.556 2.602) 2.662 5.362 ( 5.935 6.337 -8.120) 11.888 5.670 ( -2.752 1.915 7.038) 7.796 6.570 ( 2.421 2.915 -3.266) 5.003 6.774 ( -3.757 -0.109 -3.045) 4.837 7.853 ( 4.840 -10.389 0.097) 11.462 8.679 ( -19.981 -22.133 -0.036) 29.818 9.439 ( 3.602 -1.323 0.402) 3.858 9.865 ( -9.408 -8.017 0.278) 12.364 11.911 ( 7.711 11.490 -2.156) 14.004 12.111 ( 1.368 7.415 -0.511) 7.557 ======================= Grid point 227 (53/140) ======================= q-point: ( 0.46 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.343 ( 4.942 3.233 1.239) 6.035 2.435 ( -3.955 1.669 0.162) 4.296 2.873 ( 8.249 4.036 0.318) 9.189 3.041 ( -8.120 2.735 0.718) 8.598 4.044 ( 5.127 -1.201 0.568) 5.296 4.109 ( -1.182 -0.366 1.654) 2.065 4.528 ( 2.407 -1.802 3.507) 4.620 4.574 ( -1.809 -1.562 2.704) 3.609 5.489 ( 6.045 6.469 -3.699) 9.595 5.598 ( -4.387 4.880 1.610) 6.757 6.623 ( 2.902 2.414 -2.322) 4.432 6.693 ( -3.848 1.398 -2.236) 4.665 8.019 ( 11.113 -16.229 -0.047) 19.669 8.303 ( -16.198 -20.142 -0.062) 25.847 9.538 ( 5.993 -3.794 0.218) 7.097 9.684 ( -8.026 -6.020 0.134) 10.033 12.039 ( 4.715 10.910 -1.562) 11.987 12.106 ( -1.773 9.493 -1.010) 9.710 ======================= Grid point 239 (54/140) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.328 ( 4.584 4.584 2.090) 6.811 2.498 ( -0.708 -0.708 -0.275) 1.038 2.821 ( 5.884 5.884 0.063) 8.322 3.169 ( -4.331 -4.331 1.078) 6.219 3.955 ( 3.972 3.972 -0.839) 5.680 4.120 ( 0.022 0.022 1.531) 1.531 4.477 ( 0.899 0.899 5.961) 6.095 4.578 ( -1.128 -1.128 3.508) 3.853 5.496 ( 6.467 6.467 -5.947) 10.909 5.700 ( 0.729 0.729 4.354) 4.475 6.619 ( 1.941 1.941 -3.782) 4.673 6.752 ( -1.920 -1.920 -3.170) 4.174 7.723 ( -2.185 -2.185 0.069) 3.090 8.262 ( -18.022 -18.022 -0.037) 25.488 9.433 ( 0.832 0.832 0.647) 1.342 9.705 ( -7.326 -7.326 0.417) 10.369 12.105 ( 7.382 7.382 -1.846) 10.602 12.223 ( 3.523 3.523 -0.819) 5.049 ======================= Grid point 240 (55/140) ======================= q-point: ( 0.46 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.414 ( 3.635 3.496 1.941) 5.404 2.472 ( -1.943 1.769 1.088) 2.844 2.938 ( 5.640 2.329 -0.283) 6.109 3.058 ( -5.904 -0.893 0.148) 5.972 4.041 ( 3.795 0.732 -0.066) 3.865 4.101 ( -1.923 -0.472 0.919) 2.183 4.508 ( 1.890 -0.199 5.670) 5.980 4.547 ( -1.784 -1.018 4.615) 5.052 5.617 ( 4.938 5.667 -3.051) 8.112 5.690 ( -1.971 3.653 0.611) 4.195 6.658 ( 1.991 1.047 -3.363) 4.046 6.704 ( -2.465 -0.244 -3.059) 3.937 7.759 ( 5.526 -8.856 -0.021) 10.439 7.946 ( -12.389 -14.270 -0.050) 18.898 9.476 ( 3.348 -2.102 0.685) 4.012 9.570 ( -5.658 -4.879 0.578) 7.493 12.219 ( 3.677 6.565 -1.512) 7.675 12.258 ( -0.127 5.264 -1.162) 5.392 ======================= Grid point 253 (56/140) ======================= q-point: ( 0.46 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.476 ( 2.187 2.187 2.220) 3.807 2.496 ( 0.255 0.255 1.916) 1.950 2.978 ( 1.832 1.832 -0.789) 2.708 3.021 ( -2.245 -2.245 -0.581) 3.227 4.064 ( 1.311 1.311 -0.131) 1.858 4.087 ( -0.864 -0.864 0.285) 1.254 4.514 ( 0.624 0.624 6.370) 6.430 4.529 ( -0.799 -0.799 5.911) 6.018 5.710 ( 3.098 3.098 -2.061) 4.841 5.736 ( 0.629 0.629 -0.737) 1.155 6.674 ( 0.691 0.691 -3.566) 3.698 6.690 ( -0.895 -0.895 -3.400) 3.628 7.658 ( -0.860 -0.860 -0.035) 1.217 7.723 ( -7.098 -7.098 -0.049) 10.038 9.457 ( 0.299 0.299 0.918) 1.011 9.489 ( -2.814 -2.814 0.871) 4.073 12.312 ( 2.558 2.558 -1.426) 3.888 12.325 ( 1.302 1.302 -1.305) 2.257 ======================= Grid point 338 (57/140) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.904 ( 0.000 0.000 20.836) 20.836 0.904 ( -0.000 -0.000 20.836) 20.836 1.123 ( 0.000 0.000 25.775) 25.775 2.664 ( -0.000 0.000 -5.208) 5.208 2.664 ( 0.000 0.000 -5.208) 5.208 3.701 ( 0.000 0.000 -7.793) 7.793 4.527 ( 0.000 -0.000 -1.518) 1.518 4.527 ( 0.000 0.000 -1.518) 1.518 6.115 ( -0.000 -0.000 0.006) 0.006 6.115 ( -0.000 -0.000 0.006) 0.006 6.371 ( 0.000 0.000 -0.079) 0.079 6.839 ( 0.000 0.000 -0.613) 0.613 8.242 ( 0.000 0.000 0.191) 0.191 8.242 ( -0.000 0.000 0.191) 0.191 9.183 ( 0.000 0.000 0.110) 0.110 11.393 ( 0.000 0.000 -0.055) 0.055 11.393 ( 0.000 0.000 -0.055) 0.055 12.904 ( 0.000 0.000 0.569) 0.569 ======================= Grid point 339 (58/140) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.780 ( -1.421 0.000 20.705) 20.754 1.031 ( 11.373 0.000 17.530) 20.896 1.470 ( 23.115 0.000 15.079) 27.599 2.674 ( 0.997 0.000 -4.751) 4.855 2.781 ( 10.744 0.000 -3.558) 11.318 3.687 ( -1.023 0.000 -5.915) 6.002 4.507 ( -1.853 0.000 -0.217) 1.865 4.541 ( 1.351 0.000 -1.605) 2.097 5.663 ( -25.392 0.000 1.030) 25.413 6.089 ( -2.574 0.000 0.010) 2.574 6.468 ( 2.128 0.000 5.758) 6.138 6.842 ( 0.114 0.000 -1.087) 1.093 8.298 ( 5.392 0.000 0.185) 5.396 8.795 ( 38.857 0.000 -14.540) 41.488 9.200 ( 1.760 0.000 0.202) 1.772 11.356 ( -3.617 0.000 -0.056) 3.617 11.371 ( -2.250 0.000 0.056) 2.251 12.554 ( -28.598 0.000 9.883) 30.258 ======================= Grid point 340 (59/140) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.920 ( 13.431 0.000 5.691) 14.586 1.326 ( 16.195 0.000 11.943) 20.122 1.957 ( 22.696 0.000 3.704) 22.996 2.701 ( 1.468 0.000 -3.563) 3.854 3.066 ( 15.599 0.000 0.111) 15.599 3.681 ( 1.242 0.000 -0.955) 1.567 4.461 ( -2.279 0.000 0.863) 2.437 4.584 ( 2.818 0.000 -1.774) 3.330 5.258 ( -14.363 0.000 -4.751) 15.129 6.010 ( -5.007 0.000 0.022) 5.007 6.482 ( -0.087 0.000 8.559) 8.559 6.836 ( -0.825 0.000 -1.855) 2.030 8.461 ( 10.285 0.000 0.163) 10.287 9.235 ( 3.367 0.000 0.003) 3.367 9.517 ( 27.442 0.000 -16.854) 32.205 11.245 ( -7.129 0.000 -0.055) 7.129 11.289 ( -6.273 0.000 0.799) 6.323 11.935 ( -28.182 0.000 13.411) 31.210 ======================= Grid point 341 (60/140) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.256 ( 17.707 0.000 -4.264) 18.214 1.669 ( 16.563 0.000 7.425) 18.151 2.356 ( 14.867 0.000 -6.549) 16.245 2.729 ( 1.063 0.000 -2.099) 2.353 3.379 ( 14.191 0.000 5.281) 15.141 3.778 ( 8.713 0.000 4.084) 9.623 4.426 ( -0.803 0.000 -0.499) 0.946 4.659 ( 4.504 0.000 -1.825) 4.860 5.024 ( -9.224 0.000 -9.352) 13.136 5.884 ( -7.150 0.000 0.035) 7.150 6.477 ( -0.304 0.000 9.408) 9.413 6.805 ( -2.222 0.000 -1.799) 2.859 8.716 ( 14.246 0.000 0.126) 14.246 9.313 ( 4.425 0.000 0.333) 4.437 9.963 ( 16.454 0.000 -11.922) 20.319 11.063 ( -10.425 0.000 -0.054) 10.425 11.068 ( -15.884 0.000 3.584) 16.283 11.475 ( -15.468 0.000 6.105) 16.629 ======================= Grid point 342 (61/140) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.614 ( 16.555 0.000 -6.887) 17.930 1.995 ( 14.746 0.000 4.207) 15.334 2.543 ( 3.384 0.000 -10.080) 10.632 2.738 ( -0.323 0.000 -0.850) 0.910 3.666 ( 14.132 0.000 8.406) 16.443 4.013 ( 12.470 0.000 5.215) 13.517 4.433 ( 1.529 0.000 -3.064) 3.425 4.771 ( 6.393 0.000 -1.601) 6.590 4.854 ( -7.577 0.000 -11.515) 13.784 5.718 ( -8.844 0.000 0.028) 8.844 6.473 ( 0.039 0.000 9.454) 9.455 6.747 ( -3.307 0.000 -0.283) 3.319 9.041 ( 16.983 0.000 0.078) 16.983 9.420 ( 5.953 0.000 -0.214) 5.957 10.230 ( 9.786 0.000 -6.662) 11.838 10.695 ( -17.961 0.000 2.124) 18.086 10.816 ( -13.378 0.000 -0.049) 13.378 11.238 ( -9.519 0.000 1.400) 9.621 ======================= Grid point 343 (62/140) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.930 ( 13.948 0.000 -5.861) 15.129 2.271 ( 11.881 0.000 2.113) 12.068 2.526 ( -4.193 0.000 -7.082) 8.230 2.710 ( -2.572 0.000 -0.068) 2.573 3.955 ( 13.312 0.000 5.475) 14.394 4.239 ( 8.486 0.000 5.206) 9.955 4.482 ( 2.856 0.000 -5.245) 5.972 4.705 ( -6.804 0.000 -12.701) 14.409 4.922 ( 8.234 0.000 -1.135) 8.311 5.523 ( -9.919 0.000 -0.042) 9.919 6.484 ( 1.143 0.000 8.892) 8.965 6.672 ( -3.876 0.000 2.419) 4.569 9.408 ( 18.397 0.000 0.033) 18.397 9.561 ( 7.794 0.000 -1.086) 7.869 10.258 ( -11.757 0.000 0.061) 11.757 10.498 ( 4.443 0.000 -4.336) 6.208 10.514 ( -15.840 0.000 -0.041) 15.840 11.044 ( -9.440 0.000 -0.028) 9.440 ======================= Grid point 344 (63/140) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.190 ( 11.252 0.000 -4.266) 12.034 2.393 ( -8.346 0.000 -4.406) 9.438 2.483 ( 8.635 0.000 0.953) 8.688 2.628 ( -5.434 0.000 0.388) 5.448 4.197 ( 9.737 0.000 2.677) 10.098 4.324 ( -1.249 0.000 4.456) 4.627 4.537 ( 2.217 0.000 -7.402) 7.727 4.589 ( -3.821 0.000 -11.949) 12.545 5.108 ( 9.614 0.000 -0.623) 9.634 5.314 ( -10.206 0.000 -0.243) 10.209 6.524 ( 2.690 0.000 7.593) 8.056 6.592 ( -3.746 0.000 5.343) 6.525 9.745 ( 10.135 0.000 -1.683) 10.274 9.792 ( 18.556 0.000 -0.003) 18.556 9.982 ( -12.824 0.000 -1.316) 12.891 10.167 ( -17.634 0.000 -0.026) 17.634 10.657 ( 8.859 0.000 -2.606) 9.234 10.848 ( -9.512 0.000 -1.143) 9.580 ======================= Grid point 352 (64/140) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 0.814 ( 4.551 4.551 14.810) 16.148 1.123 ( 9.462 9.462 15.986) 20.848 1.674 ( 16.708 16.708 9.979) 25.649 2.768 ( 4.889 4.889 -4.759) 8.393 2.812 ( 6.575 6.575 -1.576) 9.431 3.677 ( -0.727 -0.727 -4.380) 4.499 4.513 ( -0.484 -0.484 0.281) 0.740 4.530 ( 0.145 0.145 -0.796) 0.822 5.448 ( -14.867 -14.867 -1.048) 21.052 6.133 ( 0.898 0.898 -0.887) 1.549 6.449 ( -1.218 -1.218 7.570) 7.764 6.845 ( 0.193 0.193 -1.659) 1.681 8.202 ( -1.866 -1.866 0.330) 2.659 9.212 ( 1.302 1.302 0.408) 1.886 9.236 ( 30.299 30.299 -17.101) 46.136 11.233 ( -7.721 -7.721 -0.091) 10.919 11.429 ( 1.286 1.286 0.300) 1.843 12.302 ( -21.270 -21.270 12.917) 32.736 ======================= Grid point 353 (65/140) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.004 ( 13.403 7.841 2.995) 15.814 1.391 ( 15.420 6.490 11.562) 20.336 2.054 ( 18.423 8.534 0.665) 20.315 2.809 ( 1.417 9.851 -2.822) 10.344 3.079 ( 15.666 1.324 1.041) 15.756 3.677 ( 1.385 -0.245 -0.101) 1.410 4.474 ( -2.261 1.324 1.328) 2.937 4.569 ( 2.909 -1.434 -0.433) 3.272 5.176 ( -10.958 -6.575 -6.592) 14.379 6.085 ( -5.064 5.967 -0.681) 7.856 6.439 ( 0.198 -4.196 8.763) 9.718 6.841 ( -0.787 0.376 -2.620) 2.762 8.267 ( 7.300 -12.426 0.121) 14.412 9.251 ( 2.586 0.991 0.604) 2.834 9.813 ( 23.809 22.426 -15.139) 36.041 11.044 ( -10.590 -12.285 -0.065) 16.220 11.391 ( -6.460 1.806 2.118) 7.034 11.835 ( -20.185 -7.739 11.120) 24.310 ======================= Grid point 354 (66/140) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.325 ( 16.616 6.412 -4.260) 18.313 1.724 ( 16.195 5.174 7.365) 18.529 2.379 ( 12.019 2.078 -7.689) 14.419 2.832 ( 0.648 9.459 -1.555) 9.607 3.402 ( 14.931 2.071 5.318) 15.984 3.768 ( 8.028 -0.740 4.217) 9.098 4.438 ( -0.874 1.276 0.329) 1.581 4.647 ( 4.617 -1.297 -0.189) 4.799 4.987 ( -7.673 -2.918 -10.299) 13.170 5.947 ( -7.954 5.537 0.158) 9.693 6.449 ( 0.598 -2.864 8.584) 9.069 6.810 ( -2.248 0.428 -2.723) 3.556 8.475 ( 12.392 -17.992 -0.169) 21.847 9.320 ( 4.080 0.308 0.509) 4.123 10.211 ( 15.180 19.110 -9.718) 26.269 10.797 ( -13.312 -16.046 0.042) 20.849 11.109 ( -18.732 -3.876 5.063) 19.788 11.570 ( -7.169 7.774 3.001) 10.992 ======================= Grid point 355 (67/140) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.661 ( 15.511 4.365 -6.088) 17.225 2.043 ( 14.433 4.465 4.200) 15.681 2.531 ( 2.825 -0.917 -9.583) 10.033 2.828 ( -1.208 8.080 -0.627) 8.194 3.694 ( 13.722 2.549 7.613) 15.898 3.988 ( 11.915 -2.243 4.935) 13.090 4.445 ( 1.479 1.177 -2.038) 2.780 4.749 ( 3.864 -2.283 -0.272) 4.497 4.857 ( -3.759 0.672 -11.466) 12.085 5.766 ( -9.442 4.295 0.402) 10.381 6.461 ( 0.707 -1.174 8.280) 8.393 6.751 ( -3.310 0.411 -1.298) 3.579 8.764 ( 15.329 -21.328 -0.288) 26.267 9.421 ( 5.721 -0.370 -0.112) 5.734 10.426 ( 0.271 7.409 -1.895) 7.653 10.515 ( -10.317 -13.072 -1.338) 16.706 10.745 ( -13.116 1.614 -0.214) 13.216 11.441 ( -6.359 13.740 0.809) 15.162 ======================= Grid point 356 (68/140) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.956 ( 13.013 2.491 -5.002) 14.162 2.311 ( 11.234 3.600 2.069) 11.977 2.518 ( -3.267 -0.511 -6.454) 7.252 2.780 ( -3.440 6.377 0.105) 7.247 3.968 ( 12.488 1.212 5.208) 13.584 4.208 ( 8.397 -2.930 4.827) 10.119 4.491 ( 2.639 0.901 -4.388) 5.199 4.692 ( -5.654 -1.121 -10.016) 11.557 4.941 ( 8.196 1.790 -2.111) 8.651 5.561 ( -10.316 3.457 0.205) 10.881 6.483 ( 1.506 -0.121 7.717) 7.863 6.677 ( -3.841 0.455 1.389) 4.109 9.099 ( 16.938 -23.492 -0.272) 28.963 9.559 ( 7.697 -1.023 -1.019) 7.832 10.155 ( -16.117 -17.773 0.074) 23.992 10.291 ( -15.255 -7.420 0.317) 16.967 10.754 ( 8.004 20.040 -4.181) 21.980 11.295 ( -7.811 17.114 -0.079) 18.813 ======================= Grid point 357 (69/140) ======================= q-point: ( 0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.197 ( 10.388 0.822 -3.522) 10.999 2.380 ( -6.745 -0.744 -3.246) 7.522 2.539 ( 7.806 4.770 0.364) 9.155 2.684 ( -5.875 5.124 0.433) 7.808 4.193 ( 8.865 -0.388 3.216) 9.439 4.299 ( -0.371 -2.291 4.542) 5.101 4.540 ( 1.936 0.319 -6.871) 7.145 4.589 ( -3.660 0.079 -10.424) 11.049 5.131 ( 9.951 2.221 -0.828) 10.229 5.345 ( -10.559 2.841 -0.219) 10.937 6.527 ( 2.835 0.373 6.505) 7.106 6.597 ( -3.752 0.503 4.309) 5.736 9.456 ( 17.496 -24.206 -0.199) 29.868 9.743 ( 10.250 -1.948 -1.633) 10.560 9.814 ( -16.958 -22.270 -0.171) 27.993 9.987 ( -13.459 -4.240 -1.244) 14.166 10.935 ( 9.062 20.517 -2.285) 22.545 11.121 ( -8.849 19.373 -1.001) 21.322 ======================= Grid point 366 (70/140) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.222 ( 12.653 12.653 -1.509) 17.958 1.591 ( 12.383 12.383 9.741) 20.039 2.258 ( 10.002 10.002 -5.385) 15.135 3.041 ( 7.874 7.874 -3.841) 11.780 3.149 ( 8.986 8.986 5.224) 13.740 3.687 ( 1.702 1.702 2.523) 3.487 4.509 ( 0.532 0.532 2.759) 2.859 4.537 ( 0.163 0.163 1.203) 1.225 5.038 ( -6.119 -6.119 -10.078) 13.284 6.193 ( 2.010 2.010 -2.952) 4.098 6.330 ( -4.226 -4.226 10.533) 12.110 6.843 ( -0.426 -0.426 -4.092) 4.136 8.099 ( -2.985 -2.985 0.581) 4.261 9.278 ( 1.719 1.719 0.830) 2.568 10.266 ( 19.652 19.652 -10.729) 29.792 10.762 ( -14.979 -14.979 -0.136) 21.183 11.276 ( -12.568 -12.568 5.722) 18.672 11.735 ( -1.063 -1.063 3.912) 4.191 ======================= Grid point 367 (71/140) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.503 ( 14.081 10.341 -3.993) 17.921 1.876 ( 14.573 9.346 6.869) 18.625 2.431 ( 6.324 2.653 -9.303) 11.558 3.087 ( -0.522 14.392 -0.847) 14.426 3.444 ( 15.728 1.140 4.535) 16.409 3.768 ( 6.389 1.474 5.171) 8.350 4.482 ( -1.043 2.979 2.212) 3.854 4.604 ( 4.469 -2.628 2.905) 5.943 4.932 ( -4.112 -2.037 -12.078) 12.920 6.080 ( -9.432 6.443 2.272) 11.646 6.357 ( 3.678 -5.673 5.108) 8.474 6.817 ( -2.075 0.128 -4.650) 5.094 8.135 ( 5.925 -13.030 0.346) 14.318 9.326 ( 3.045 0.464 0.751) 3.171 10.430 ( -16.978 -18.903 -0.095) 25.409 10.576 ( 8.082 11.809 -3.131) 14.648 10.993 ( -10.811 -3.647 0.358) 11.415 11.734 ( -0.143 7.307 1.322) 7.427 ======================= Grid point 368 (72/140) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.785 ( 12.951 7.391 -4.118) 15.470 2.169 ( 13.345 7.462 4.072) 15.823 2.512 ( 1.552 -0.866 -8.548) 8.731 3.044 ( -3.473 12.185 0.338) 12.675 3.748 ( 13.334 1.269 4.699) 14.194 3.941 ( 9.714 -1.085 5.054) 11.003 4.484 ( 1.180 2.555 0.408) 2.844 4.687 ( 2.207 -3.239 2.147) 4.469 4.887 ( 0.991 2.234 -10.904) 11.175 5.871 ( -10.527 5.140 2.610) 12.002 6.425 ( 2.832 -2.167 4.310) 5.594 6.761 ( -3.221 0.461 -3.522) 4.795 8.319 ( 11.373 -19.843 -0.045) 22.871 9.406 ( 4.745 -0.858 0.206) 4.827 10.064 ( -18.336 -22.422 -0.067) 28.965 10.473 ( -13.719 -6.504 2.847) 15.447 11.004 ( 8.210 18.375 -5.860) 20.962 11.709 ( -2.370 11.737 0.491) 11.984 ======================= Grid point 369 (73/140) ======================= q-point: ( 0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.030 ( 10.740 4.623 -2.923) 12.052 2.399 ( 6.805 4.183 0.900) 8.038 2.520 ( 1.527 1.232 -4.100) 4.545 2.950 ( -5.529 9.452 0.864) 10.984 3.995 ( 10.644 0.681 3.896) 11.356 4.132 ( 7.912 -3.569 4.258) 9.668 4.519 ( 1.847 1.731 -2.072) 3.271 4.667 ( -3.144 -1.157 -4.107) 5.300 4.996 ( 8.401 3.526 -4.116) 9.998 5.650 ( -10.878 4.675 1.518) 11.937 6.479 ( 2.592 -0.190 4.255) 4.986 6.689 ( -3.714 0.679 -1.029) 3.913 8.591 ( 14.787 -23.967 -0.217) 28.163 9.525 ( 6.789 -2.062 -0.606) 7.121 9.678 ( -18.863 -24.954 -0.073) 31.282 10.175 ( -14.135 -6.043 0.377) 15.377 11.188 ( 8.875 20.411 -3.786) 22.576 11.635 ( -4.784 15.174 -0.210) 15.912 ======================= Grid point 370 (74/140) ======================= q-point: ( 0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.228 ( 8.401 2.200 -1.865) 8.882 2.374 ( -5.520 0.293 -2.037) 5.891 2.658 ( 8.420 6.364 0.499) 10.566 2.819 ( -7.082 7.409 0.782) 10.279 4.178 ( 6.537 -1.318 3.615) 7.585 4.235 ( 1.402 -3.573 4.201) 5.691 4.552 ( 1.439 0.915 -4.659) 4.962 4.595 ( -3.081 0.626 -6.034) 6.804 5.197 ( 10.618 4.069 -1.428) 11.460 5.423 ( -11.081 4.487 0.100) 11.956 6.539 ( 3.216 0.668 3.561) 4.844 6.611 ( -3.739 0.830 1.699) 4.190 8.922 ( 17.104 -26.008 -0.202) 31.129 9.291 ( -18.483 -26.260 -0.124) 32.113 9.689 ( 9.192 -3.192 -1.195) 9.804 9.906 ( -11.811 -4.465 -1.009) 12.667 11.363 ( 8.007 19.730 -2.205) 21.406 11.515 ( -6.708 17.888 -1.071) 19.135 ======================= Grid point 380 (75/140) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.730 ( 11.174 11.174 -3.143) 16.112 2.097 ( 11.729 11.729 5.486) 17.470 2.477 ( 1.585 1.585 -9.108) 9.380 3.383 ( 8.348 8.348 -2.908) 12.158 3.432 ( 3.059 3.059 5.925) 7.336 3.849 ( 6.035 6.035 5.641) 10.230 4.546 ( 0.331 0.331 3.978) 4.005 4.567 ( 2.143 2.143 4.421) 5.360 4.911 ( 0.106 0.106 -12.455) 12.456 6.122 ( -5.522 -5.522 11.033) 13.516 6.296 ( 2.870 2.870 -4.938) 6.392 6.806 ( -1.301 -1.301 -5.870) 6.152 7.967 ( -3.268 -3.268 0.618) 4.663 9.345 ( 1.495 1.495 0.836) 2.274 10.019 ( -20.543 -20.543 -0.109) 29.052 10.552 ( -10.469 -10.469 3.969) 15.328 11.117 ( 12.213 12.213 -6.652) 18.508 11.857 ( 4.455 4.455 0.710) 6.340 ======================= Grid point 381 (76/140) ======================= q-point: ( 0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.951 ( 10.046 8.316 -1.825) 13.168 2.341 ( 11.154 8.934 3.400) 14.690 2.496 ( 0.509 -0.627 -6.754) 6.802 3.298 ( -6.818 11.295 2.076) 13.355 3.703 ( 13.474 -4.268 1.042) 14.172 3.987 ( 6.787 4.622 4.659) 9.441 4.540 ( 0.407 2.384 3.602) 4.338 4.637 ( 2.493 -1.142 4.115) 4.945 4.950 ( 4.178 3.969 -10.387) 11.879 5.945 ( -9.800 1.218 7.299) 12.280 6.391 ( 4.729 -0.518 -2.469) 5.359 6.764 ( -2.696 -0.346 -5.340) 5.992 7.988 ( 4.816 -11.796 0.332) 12.746 9.393 ( 3.205 -0.273 0.555) 3.264 9.589 ( -20.924 -23.178 -0.074) 31.226 10.296 ( -13.080 -9.884 1.981) 16.514 11.365 ( 11.089 15.851 -4.973) 19.974 11.915 ( 1.231 8.144 0.198) 8.239 ======================= Grid point 382 (77/140) ======================= q-point: ( 0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.140 ( 8.171 5.744 -0.585) 10.005 2.452 ( -1.186 1.148 -2.526) 3.018 2.592 ( 9.478 5.357 0.613) 10.904 3.141 ( -8.176 8.238 1.898) 11.761 3.952 ( 10.495 -4.152 1.345) 11.366 4.113 ( 5.076 1.453 3.913) 6.572 4.556 ( 0.960 1.750 1.713) 2.630 4.651 ( -0.933 -0.224 1.165) 1.509 5.089 ( 8.921 5.534 -5.775) 11.982 5.738 ( -10.236 3.498 3.785) 11.460 6.478 ( 3.809 0.156 -0.709) 3.877 6.700 ( -3.371 0.313 -3.416) 4.809 8.150 ( 10.662 -18.165 -0.012) 21.063 9.163 ( -20.202 -24.547 -0.070) 31.791 9.481 ( 5.374 -2.016 -0.001) 5.739 10.033 ( -12.143 -7.528 0.312) 14.290 11.569 ( 8.767 16.328 -3.408) 18.844 11.909 ( -1.812 11.248 -0.436) 11.402 ======================= Grid point 383 (78/140) ======================= q-point: ( 0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.288 ( 6.166 3.498 -0.100) 7.090 2.394 ( -4.067 1.585 -0.924) 4.461 2.786 ( 9.035 5.656 0.816) 10.690 2.967 ( -8.602 6.352 1.244) 10.765 4.125 ( 5.804 -3.635 2.389) 7.253 4.178 ( 0.653 -1.782 3.423) 3.914 4.577 ( 1.237 1.513 -0.173) 1.962 4.614 ( -2.192 1.099 -0.642) 2.534 5.297 ( 10.795 5.591 -2.272) 12.367 5.521 ( -10.739 4.906 0.618) 11.822 6.553 ( 3.598 0.698 -0.245) 3.673 6.628 ( -3.609 0.686 -1.311) 3.901 8.418 ( 15.055 -22.279 -0.139) 26.889 8.764 ( -18.254 -24.333 -0.113) 30.419 9.616 ( 7.781 -3.695 -0.480) 8.627 9.802 ( -10.162 -5.462 -0.473) 11.547 11.728 ( 6.666 15.534 -2.209) 17.048 11.844 ( -4.440 13.765 -1.236) 14.516 ======================= Grid point 394 (79/140) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.117 ( 7.606 7.606 0.117) 10.757 2.484 ( -0.326 -0.326 -4.565) 4.588 2.530 ( 8.936 8.936 2.283) 12.841 3.402 ( -3.614 -3.614 4.523) 6.825 3.704 ( 6.922 6.922 -1.804) 9.954 4.084 ( 4.136 4.136 3.236) 6.685 4.571 ( 0.916 0.916 6.700) 6.825 4.644 ( 1.125 1.125 3.690) 4.018 5.058 ( 6.656 6.656 -8.921) 12.968 5.908 ( -4.444 -4.444 8.530) 10.595 6.418 ( 2.898 2.898 -5.937) 7.214 6.743 ( -1.671 -1.671 -5.701) 6.171 7.836 ( -3.015 -3.015 0.367) 4.280 9.117 ( -22.307 -22.307 -0.048) 31.547 9.401 ( 1.245 1.245 0.695) 1.893 10.083 ( -10.505 -10.505 0.997) 14.890 11.651 ( 11.895 11.895 -3.923) 17.274 12.045 ( 4.387 4.387 -0.210) 6.208 ======================= Grid point 395 (80/140) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.260 ( 6.151 5.772 1.246) 8.527 2.472 ( -0.943 1.025 -1.907) 2.362 2.710 ( 8.438 5.693 0.934) 10.221 3.250 ( -9.017 1.449 2.741) 9.535 3.892 ( 9.387 -0.469 -0.368) 9.406 4.147 ( 1.804 1.276 2.769) 3.542 4.590 ( 0.981 1.525 6.332) 6.586 4.655 ( -0.201 0.447 3.485) 3.520 5.224 ( 9.162 7.432 -6.160) 13.309 5.784 ( -7.144 0.897 4.902) 8.710 6.490 ( 3.713 1.084 -4.780) 6.149 6.697 ( -2.693 -0.676 -4.758) 5.509 7.855 ( 4.612 -10.345 0.119) 11.327 8.678 ( -20.002 -22.121 -0.050) 29.824 9.449 ( 3.405 -0.927 0.561) 3.573 9.872 ( -9.736 -7.893 0.389) 12.540 11.860 ( 8.425 11.833 -3.009) 14.834 12.098 ( 0.843 7.097 -0.760) 7.187 ======================= Grid point 396 (81/140) ======================= q-point: ( 0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.369 ( 4.347 4.267 1.315) 6.231 2.438 ( -2.407 2.689 0.227) 3.616 2.882 ( 8.368 3.521 0.565) 9.096 3.061 ( -9.019 2.405 1.302) 9.425 4.060 ( 6.438 -2.158 1.011) 6.865 4.148 ( -1.995 -1.292 2.210) 3.245 4.612 ( 1.172 1.716 4.827) 5.256 4.638 ( -1.270 1.169 3.735) 4.114 5.424 ( 9.861 6.508 -2.945) 12.176 5.619 ( -8.849 4.369 0.668) 9.891 6.565 ( 3.541 0.433 -3.522) 5.013 6.635 ( -3.248 -0.019 -3.634) 4.874 8.018 ( 11.033 -16.177 -0.069) 19.581 8.302 ( -16.224 -20.121 -0.087) 25.847 9.544 ( 5.805 -3.167 0.310) 6.620 9.687 ( -8.042 -5.464 0.189) 9.724 12.002 ( 5.373 10.945 -2.190) 12.388 12.082 ( -2.378 9.320 -1.434) 9.725 ======================= Grid point 408 (82/140) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.372 ( 4.943 4.943 2.222) 7.335 2.494 ( 0.927 0.927 -0.099) 1.315 2.822 ( 5.152 5.152 -0.023) 7.286 3.200 ( -5.469 -5.469 2.024) 7.995 3.941 ( 4.465 4.465 -0.556) 6.339 4.156 ( -0.484 -0.484 2.092) 2.201 4.620 ( 1.366 1.366 8.468) 8.686 4.663 ( 0.162 0.162 4.992) 4.997 5.389 ( 8.345 8.345 -5.158) 12.880 5.771 ( -2.213 -2.213 3.184) 4.464 6.523 ( 2.075 2.075 -5.929) 6.615 6.672 ( -1.802 -1.802 -4.995) 5.608 7.725 ( -2.279 -2.279 0.079) 3.224 8.261 ( -18.036 -18.036 -0.050) 25.506 9.448 ( 0.990 0.990 0.896) 1.662 9.715 ( -7.138 -7.138 0.585) 10.111 12.061 ( 7.752 7.752 -2.584) 11.264 12.203 ( 3.146 3.146 -1.173) 4.602 ======================= Grid point 409 (83/140) ======================= q-point: ( 0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.458 ( 3.185 4.133 2.316) 5.709 2.498 ( -0.734 2.877 1.533) 3.342 2.932 ( 5.789 1.497 -0.352) 5.990 3.064 ( -6.910 -1.799 0.543) 7.161 4.043 ( 4.770 0.411 0.297) 4.797 4.123 ( -2.804 -1.162 1.304) 3.304 4.645 ( 1.002 1.423 8.076) 8.261 4.660 ( -0.444 0.908 6.707) 6.783 5.557 ( 7.632 6.136 -3.084) 10.268 5.693 ( -5.329 2.557 -0.107) 5.912 6.572 ( 2.596 0.334 -5.294) 5.905 6.626 ( -2.509 -0.863 -4.883) 5.558 7.758 ( 5.451 -8.853 -0.034) 10.397 7.944 ( -12.395 -14.264 -0.069) 18.897 9.492 ( 3.293 -1.681 0.952) 3.818 9.583 ( -5.488 -4.430 0.809) 7.099 12.182 ( 4.074 6.642 -2.125) 8.077 12.230 ( -0.531 5.091 -1.642) 5.376 ======================= Grid point 422 (84/140) ======================= q-point: ( 0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.528 ( 2.330 2.330 2.938) 4.415 2.543 ( 0.971 0.971 2.726) 3.053 2.959 ( 1.605 1.605 -1.128) 2.534 3.008 ( -3.020 -3.020 -0.658) 4.321 4.066 ( 1.527 1.527 0.288) 2.179 4.097 ( -1.394 -1.394 0.678) 2.085 4.667 ( 0.709 0.709 9.091) 9.146 4.672 ( 0.220 0.220 8.512) 8.517 5.665 ( 4.040 4.040 -2.568) 6.264 5.714 ( -0.645 -0.645 -1.423) 1.690 6.583 ( 0.766 0.766 -5.636) 5.739 6.604 ( -1.169 -1.169 -5.393) 5.641 7.657 ( -0.885 -0.885 -0.052) 1.252 7.722 ( -7.095 -7.095 -0.068) 10.034 9.478 ( 0.407 0.407 1.272) 1.396 9.510 ( -2.606 -2.606 1.211) 3.880 12.278 ( 2.679 2.679 -2.006) 4.287 12.294 ( 1.147 1.147 -1.840) 2.453 ======================= Grid point 507 (85/140) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.237 ( 0.000 0.000 13.404) 13.404 1.237 ( -0.000 -0.000 13.404) 13.404 1.532 ( 0.000 0.000 16.292) 16.292 2.560 ( 0.000 0.000 -5.127) 5.127 2.560 ( -0.000 -0.000 -5.127) 5.127 3.552 ( 0.000 0.000 -7.029) 7.029 4.501 ( 0.000 0.000 -1.064) 1.064 4.501 ( 0.000 0.000 -1.064) 1.064 6.115 ( -0.000 0.000 0.003) 0.003 6.115 ( -0.000 0.000 0.003) 0.003 6.370 ( 0.000 0.000 -0.049) 0.049 6.829 ( 0.000 0.000 -0.424) 0.424 8.245 ( 0.000 0.000 0.134) 0.134 8.245 ( 0.000 0.000 0.134) 0.134 9.185 ( -0.000 0.000 0.078) 0.078 11.392 ( -0.000 0.000 -0.039) 0.039 11.392 ( 0.000 0.000 -0.039) 0.039 12.914 ( 0.000 0.000 0.401) 0.401 ======================= Grid point 508 (86/140) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.181 ( -4.888 0.000 20.287) 20.868 1.320 ( 7.723 0.000 11.929) 14.210 1.633 ( 10.221 0.000 1.003) 10.270 2.580 ( 1.872 0.000 -4.649) 5.011 2.742 ( 15.823 0.000 -0.196) 15.825 3.571 ( 2.008 0.000 -5.688) 6.032 4.493 ( -0.869 0.000 -0.831) 1.202 4.514 ( 1.216 0.000 -1.130) 1.660 5.679 ( -26.537 0.000 0.618) 26.544 6.089 ( -2.567 0.000 0.006) 2.567 6.536 ( 5.639 0.000 1.922) 5.957 6.823 ( -0.569 0.000 -0.768) 0.956 8.301 ( 5.382 0.000 0.130) 5.383 8.629 ( 30.633 0.000 -4.647) 30.983 9.204 ( 1.840 0.000 0.179) 1.848 11.355 ( -3.617 0.000 -0.039) 3.617 11.372 ( -2.065 0.000 0.026) 2.065 12.664 ( -22.270 0.000 3.021) 22.474 ======================= Grid point 509 (87/140) ======================= q-point: ( 0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.115 ( 0.369 0.000 12.938) 12.943 1.532 ( 12.155 0.000 8.757) 14.981 1.906 ( 14.625 0.000 -7.748) 16.551 2.631 ( 2.860 0.000 -3.423) 4.461 3.132 ( 20.472 0.000 5.774) 21.271 3.645 ( 5.528 0.000 -2.705) 6.154 4.462 ( -2.095 0.000 -0.374) 2.128 4.553 ( 2.688 0.000 -1.263) 2.970 5.200 ( -18.999 0.000 -1.639) 19.070 6.010 ( -4.995 0.000 0.014) 4.995 6.598 ( 1.336 0.000 3.831) 4.057 6.804 ( -1.262 0.000 -1.324) 1.829 8.464 ( 10.261 0.000 0.115) 10.262 9.217 ( 11.653 0.000 -2.454) 11.909 9.315 ( 20.464 0.000 -4.653) 20.986 11.244 ( -7.128 0.000 -0.039) 7.128 11.299 ( -5.438 0.000 0.297) 5.446 12.105 ( -29.155 0.000 5.256) 29.625 ======================= Grid point 510 (88/140) ======================= q-point: ( 0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.226 ( 10.085 0.000 0.831) 10.119 1.799 ( 13.338 0.000 5.590) 14.462 2.186 ( 11.685 0.000 -9.355) 14.968 2.688 ( 2.440 0.000 -1.961) 3.130 3.536 ( 17.659 0.000 9.592) 20.096 3.813 ( 10.902 0.000 -0.624) 10.920 4.412 ( -2.487 0.000 -0.825) 2.620 4.627 ( 4.561 0.000 -1.312) 4.746 4.885 ( -12.178 0.000 -5.067) 13.190 5.884 ( -7.143 0.000 0.022) 7.143 6.613 ( 0.307 0.000 4.806) 4.816 6.773 ( -1.661 0.000 -1.340) 2.134 8.719 ( 14.209 0.000 0.088) 14.209 9.319 ( 4.270 0.000 0.222) 4.276 9.793 ( 19.838 0.000 -5.993) 20.723 11.062 ( -10.422 0.000 -0.038) 10.422 11.110 ( -14.263 0.000 1.208) 14.314 11.565 ( -20.833 0.000 3.161) 21.072 ======================= Grid point 511 (89/140) ======================= q-point: ( 0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.498 ( 15.289 0.000 -4.829) 16.034 2.069 ( 12.491 0.000 3.139) 12.879 2.367 ( 5.557 0.000 -7.444) 9.290 2.722 ( 0.636 0.000 -0.778) 1.005 3.845 ( 12.574 0.000 9.795) 15.939 4.076 ( 13.241 0.000 0.736) 13.261 4.374 ( -0.882 0.000 -3.020) 3.147 4.673 ( -8.838 0.000 -6.895) 11.210 4.743 ( 6.702 0.000 -1.152) 6.801 5.718 ( -8.868 0.000 0.017) 8.868 6.616 ( 0.157 0.000 5.411) 5.413 6.739 ( -1.584 0.000 -0.499) 1.660 9.042 ( 16.943 0.000 0.055) 16.943 9.417 ( 5.304 0.000 -0.129) 5.305 10.130 ( 13.394 0.000 -3.649) 13.883 10.721 ( -20.939 0.000 0.740) 20.952 10.816 ( -13.373 0.000 -0.035) 13.373 11.257 ( -11.130 0.000 0.644) 11.149 ======================= Grid point 512 (90/140) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.823 ( 15.516 0.000 -4.800) 16.241 2.308 ( 10.533 0.000 1.543) 10.646 2.412 ( -1.168 0.000 -4.472) 4.622 2.708 ( -2.067 0.000 -0.092) 2.070 4.065 ( 8.752 0.000 6.222) 10.739 4.310 ( 8.780 0.000 0.421) 8.790 4.384 ( 1.580 0.000 -4.541) 4.808 4.510 ( -6.823 0.000 -6.312) 9.295 4.903 ( 8.675 0.000 -0.812) 8.713 5.522 ( -10.020 0.000 -0.033) 10.020 6.624 ( 0.655 0.000 5.539) 5.578 6.708 ( -1.516 0.000 1.151) 1.903 9.409 ( 18.363 0.000 0.023) 18.363 9.543 ( 7.074 0.000 -0.759) 7.115 10.271 ( -12.654 0.000 1.304) 12.721 10.414 ( 5.314 0.000 -4.228) 6.790 10.513 ( -15.831 0.000 -0.029) 15.831 11.042 ( -10.254 0.000 -0.156) 10.255 ======================= Grid point 513 (91/140) ======================= q-point: ( 0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.116 ( 12.433 0.000 -3.172) 12.831 2.323 ( -7.365 0.000 -2.758) 7.864 2.499 ( 7.972 0.000 0.683) 8.002 2.634 ( -5.073 0.000 0.268) 5.080 4.216 ( 6.367 0.000 -0.393) 6.379 4.343 ( -5.884 0.000 -5.869) 8.311 4.433 ( 3.313 0.000 -0.331) 3.330 4.456 ( 0.738 0.000 -1.305) 1.499 5.097 ( 10.000 0.000 -0.443) 10.010 5.310 ( -10.442 0.000 -0.174) 10.444 6.645 ( 1.336 0.000 4.801) 4.983 6.676 ( -1.584 0.000 3.159) 3.534 9.716 ( 9.933 0.000 -1.217) 10.008 9.792 ( 18.532 0.000 -0.002) 18.532 9.960 ( -13.769 0.000 -0.930) 13.800 10.167 ( -17.619 0.000 -0.019) 17.619 10.612 ( 10.346 0.000 -1.854) 10.511 10.828 ( -10.480 0.000 -0.843) 10.514 ======================= Grid point 521 (92/140) ======================= q-point: ( 0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.148 ( -2.439 -2.439 18.592) 18.909 1.390 ( 6.970 6.970 11.111) 14.853 1.732 ( 9.064 9.064 -4.041) 13.441 2.675 ( 5.348 5.348 -4.516) 8.809 2.825 ( 10.542 10.542 2.728) 15.156 3.590 ( 1.993 1.993 -4.351) 5.184 4.497 ( -0.054 -0.054 -1.233) 1.235 4.517 ( 0.726 0.726 -0.566) 1.173 5.450 ( -17.102 -17.102 0.640) 24.194 6.118 ( 0.208 0.208 -0.624) 0.689 6.544 ( 0.664 0.664 2.915) 3.063 6.817 ( -0.656 -0.656 -1.201) 1.518 8.208 ( -1.764 -1.764 0.230) 2.506 9.027 ( 28.201 28.201 -6.278) 40.374 9.219 ( 1.506 1.506 0.290) 2.150 11.232 ( -7.745 -7.745 -0.064) 10.953 11.433 ( 1.621 1.621 0.141) 2.297 12.454 ( -18.875 -18.875 4.356) 27.047 ======================= Grid point 522 (93/140) ======================= q-point: ( 0.15 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.140 ( 2.935 2.820 9.846) 10.654 1.591 ( 11.803 5.694 8.471) 15.604 1.965 ( 12.334 5.343 -8.414) 15.858 2.748 ( 2.745 10.258 -3.162) 11.079 3.157 ( 19.079 2.641 5.858) 20.132 3.662 ( 5.202 1.742 -1.395) 5.661 4.478 ( -1.682 1.502 -0.657) 2.349 4.554 ( 2.805 0.024 -0.753) 2.905 5.107 ( -14.857 -7.856 -1.426) 16.866 6.069 ( -4.638 4.563 -0.782) 6.553 6.560 ( 0.809 -3.529 4.098) 5.468 6.796 ( -1.384 -0.834 -1.930) 2.517 8.269 ( 7.023 -11.976 0.105) 13.884 9.262 ( 2.716 1.303 0.414) 3.041 9.609 ( 26.044 24.102 -6.748) 36.121 11.043 ( -10.538 -12.388 -0.057) 16.264 11.414 ( -4.421 3.529 0.643) 5.693 11.984 ( -23.658 -10.375 4.810) 26.277 ======================= Grid point 523 (94/140) ======================= q-point: ( 0.23 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.286 ( 10.790 5.716 0.046) 12.210 1.852 ( 13.065 4.978 5.489) 15.020 2.204 ( 10.179 1.723 -8.991) 13.690 2.796 ( 1.762 9.881 -1.890) 10.213 3.547 ( 17.595 0.768 8.317) 19.476 3.813 ( 9.588 0.366 0.485) 9.608 4.435 ( -2.170 2.246 -0.724) 3.206 4.633 ( 4.819 0.371 -0.937) 4.923 4.851 ( -10.168 -2.949 -4.233) 11.402 5.941 ( -7.536 5.082 -0.473) 9.102 6.576 ( 0.728 -3.650 4.599) 5.916 6.762 ( -1.764 -1.022 -2.021) 2.871 8.472 ( 12.216 -17.846 -0.100) 21.626 9.329 ( 3.792 0.497 0.368) 3.842 10.072 ( 18.784 21.594 -4.931) 29.042 10.797 ( -13.268 -16.332 -0.009) 21.042 11.173 ( -19.347 -3.329 1.983) 19.731 11.616 ( -10.633 5.444 1.701) 12.066 ======================= Grid point 524 (95/140) ======================= q-point: ( 0.31 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.557 ( 14.703 5.569 -4.298) 16.299 2.115 ( 12.146 4.343 3.024) 13.249 2.366 ( 5.231 0.008 -6.845) 8.615 2.814 ( -0.260 8.444 -0.736) 8.480 3.857 ( 12.450 0.872 8.900) 15.329 4.048 ( 12.245 -2.334 0.834) 12.493 4.401 ( -0.842 2.648 -2.593) 3.801 4.671 ( -7.557 -0.036 -5.680) 9.453 4.755 ( 6.992 0.942 -0.881) 7.110 5.765 ( -9.323 4.357 -0.212) 10.293 6.590 ( 0.661 -2.624 4.913) 5.609 6.727 ( -1.594 -1.127 -1.158) 2.270 8.759 ( 15.289 -21.407 -0.196) 26.306 9.419 ( 5.032 -0.194 -0.057) 5.036 10.391 ( 11.106 18.401 -1.504) 21.545 10.500 ( -14.514 -17.719 -0.392) 22.908 10.738 ( -19.976 -4.092 -0.400) 20.395 11.452 ( -7.168 13.436 0.377) 15.233 ======================= Grid point 525 (96/140) ======================= q-point: ( 0.38 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.865 ( 14.501 3.933 -4.077) 15.568 2.342 ( 8.789 2.779 0.876) 9.260 2.419 ( 0.742 1.077 -3.449) 3.688 2.781 ( -2.953 6.719 -0.003) 7.340 4.075 ( 8.981 0.832 6.136) 10.909 4.274 ( 8.877 -3.379 1.033) 9.554 4.403 ( 0.693 2.001 -4.851) 5.293 4.530 ( -6.146 1.857 -5.365) 8.367 4.920 ( 8.964 1.547 -0.617) 9.118 5.560 ( -10.415 3.568 -0.122) 11.010 6.606 ( 0.999 -1.699 4.944) 5.322 6.696 ( -1.453 -1.081 0.525) 1.886 9.094 ( 16.987 -23.622 -0.192) 29.096 9.541 ( 6.958 -0.821 -0.709) 7.042 10.156 ( -16.632 -18.466 0.078) 24.853 10.300 ( -17.344 -7.025 0.578) 18.722 10.680 ( 10.353 20.701 -3.290) 23.378 11.292 ( -8.447 17.067 -0.136) 19.043 ======================= Grid point 526 (97/140) ======================= q-point: ( 0.46 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.136 ( 11.454 1.987 -2.595) 11.912 2.325 ( -6.489 0.314 -2.233) 6.870 2.549 ( 7.997 4.545 0.525) 9.213 2.692 ( -5.675 5.257 0.295) 7.741 4.236 ( 6.841 1.560 1.304) 7.137 4.362 ( -4.663 0.724 -0.731) 4.775 4.411 ( 3.425 -1.050 -4.202) 5.522 4.453 ( -0.996 0.206 -2.789) 2.969 5.120 ( 10.327 2.188 -0.365) 10.563 5.340 ( -10.803 2.862 -0.185) 11.177 6.632 ( 1.486 -1.174 4.191) 4.599 6.665 ( -1.578 -1.019 2.547) 3.165 9.453 ( 17.552 -24.254 -0.139) 29.939 9.715 ( 10.055 -1.777 -1.177) 10.279 9.811 ( -16.975 -21.887 -0.131) 27.699 9.966 ( -14.377 -4.545 -0.894) 15.105 10.896 ( 10.355 20.703 -1.608) 23.204 11.104 ( -9.695 19.405 -0.726) 21.704 ======================= Grid point 535 (98/140) ======================= q-point: ( 0.15 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.247 ( 7.685 7.685 3.573) 11.440 1.760 ( 10.285 10.285 7.182) 16.222 2.104 ( 7.498 7.498 -9.031) 13.929 2.969 ( 8.409 8.409 -3.303) 12.343 3.272 ( 9.784 9.784 6.263) 15.188 3.725 ( 4.471 4.471 1.410) 6.479 4.517 ( 1.291 1.291 -1.555) 2.398 4.558 ( 1.217 1.217 0.873) 1.930 4.931 ( -8.206 -8.206 -1.867) 11.754 6.142 ( 1.057 1.057 -2.132) 2.603 6.476 ( -3.459 -3.459 5.023) 7.012 6.771 ( -1.526 -1.526 -3.129) 3.802 8.108 ( -2.908 -2.908 0.404) 4.133 9.292 ( 1.815 1.815 0.582) 2.632 10.114 ( 22.998 22.998 -5.301) 32.953 10.759 ( -14.985 -14.985 -0.096) 21.192 11.347 ( -11.824 -11.824 2.152) 16.860 11.795 ( -4.966 -4.966 2.211) 7.363 ======================= Grid point 536 (99/140) ======================= q-point: ( 0.23 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.452 ( 11.766 9.963 -1.309) 15.473 1.995 ( 12.007 8.548 5.033) 15.575 2.254 ( 6.733 2.976 -8.124) 10.963 3.058 ( 1.192 14.452 -1.727) 14.604 3.550 ( 15.257 -0.790 5.274) 16.162 3.847 ( 7.233 3.197 3.108) 8.497 4.505 ( -1.371 4.529 -0.311) 4.742 4.635 ( 5.436 -0.340 0.304) 5.455 4.786 ( -5.827 -2.833 -3.094) 7.180 6.073 ( -7.242 7.239 -1.403) 10.335 6.459 ( 1.513 -7.679 4.333) 8.946 6.735 ( -1.857 -1.520 -3.572) 4.303 8.141 ( 5.583 -12.580 0.252) 13.766 9.339 ( 2.795 0.632 0.529) 2.914 10.428 ( -16.952 -19.014 -0.066) 25.474 10.524 ( 16.015 19.849 -2.101) 25.591 11.000 ( -18.519 -11.177 0.277) 21.633 11.753 ( -0.996 6.680 0.681) 6.788 ======================= Grid point 537 (100/140) ======================= q-point: ( 0.31 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.714 ( 13.120 9.134 -3.050) 16.275 2.236 ( 10.848 6.972 2.526) 13.140 2.372 ( 4.565 0.631 -5.438) 7.128 3.043 ( -2.428 13.074 -0.300) 13.301 3.848 ( 12.975 -2.915 5.141) 14.257 4.015 ( 8.790 0.344 2.575) 9.166 4.481 ( -0.799 4.979 -1.206) 5.185 4.676 ( -4.405 0.571 -2.440) 5.068 4.778 ( 7.720 1.277 -1.035) 7.893 5.885 ( -10.348 6.798 -0.295) 12.384 6.505 ( 2.464 -5.632 3.413) 7.031 6.698 ( -1.616 -1.484 -2.739) 3.509 8.318 ( 11.124 -19.494 -0.021) 22.444 9.410 ( 4.140 -0.553 0.160) 4.180 10.062 ( -18.324 -22.475 -0.050) 28.998 10.533 ( -16.697 -7.484 3.126) 18.563 10.894 ( 10.737 19.442 -5.185) 22.807 11.716 ( -2.875 11.551 0.228) 11.906 ======================= Grid point 538 (101/140) ======================= q-point: ( 0.38 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.976 ( 11.978 6.605 -2.452) 13.897 2.382 ( 1.360 1.005 -2.070) 2.673 2.488 ( 8.440 5.437 0.235) 10.042 2.963 ( -5.244 10.229 0.463) 11.504 4.079 ( 9.555 -1.657 4.711) 10.782 4.193 ( 7.834 -3.194 1.677) 8.625 4.471 ( -0.414 4.522 -3.195) 5.552 4.583 ( -4.622 3.180 -3.129) 6.424 4.962 ( 9.968 2.509 -0.422) 10.287 5.660 ( -11.329 5.691 -0.030) 12.678 6.553 ( 2.244 -3.391 3.131) 5.132 6.668 ( -1.407 -1.485 -1.038) 2.294 8.588 ( 14.734 -23.815 -0.152) 28.005 9.515 ( 6.127 -1.610 -0.411) 6.348 9.677 ( -18.885 -24.968 -0.053) 31.306 10.182 ( -15.954 -6.192 0.328) 17.117 11.123 ( 10.529 20.775 -2.713) 23.449 11.631 ( -5.380 15.042 -0.200) 15.976 ======================= Grid point 539 (102/140) ======================= q-point: ( 0.46 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.196 ( 9.026 3.678 -1.382) 9.844 2.340 ( -4.772 1.261 -1.370) 5.122 2.669 ( 8.520 6.579 0.513) 10.777 2.833 ( -7.225 7.834 0.553) 10.671 4.247 ( 6.546 -1.390 3.633) 7.615 4.307 ( 2.047 -4.278 2.872) 5.544 4.459 ( -0.379 4.395 -5.026) 6.687 4.492 ( -3.617 3.903 -3.974) 6.641 5.183 ( 11.272 3.776 -0.250) 11.891 5.421 ( -11.657 4.784 -0.105) 12.601 6.598 ( 2.054 -2.103 2.430) 3.814 6.637 ( -1.687 -1.595 0.908) 2.493 8.918 ( 17.159 -25.970 -0.145) 31.127 9.289 ( -18.545 -26.260 -0.089) 32.148 9.669 ( 8.940 -2.678 -0.848) 9.371 9.888 ( -12.422 -4.101 -0.730) 13.102 11.325 ( 9.088 19.735 -1.547) 21.782 11.497 ( -7.496 17.781 -0.768) 19.311 ======================= Grid point 549 (103/140) ======================= q-point: ( 0.23 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.679 ( 11.587 11.587 -1.973) 16.505 2.192 ( 10.174 10.174 3.971) 14.926 2.320 ( 3.249 3.249 -6.625) 8.062 3.333 ( 8.871 8.871 -2.134) 12.726 3.537 ( 2.401 2.401 4.507) 5.644 3.941 ( 5.571 5.571 3.794) 8.744 4.615 ( 1.578 1.578 2.974) 3.718 4.623 ( 3.717 3.717 0.067) 5.258 4.746 ( -0.867 -0.867 -3.755) 3.950 6.209 ( 2.152 2.152 -3.722) 4.808 6.282 ( -5.676 -5.676 5.782) 9.893 6.702 ( -1.657 -1.657 -4.599) 5.162 7.978 ( -3.325 -3.325 0.421) 4.721 9.359 ( 1.425 1.425 0.580) 2.097 10.017 ( -20.517 -20.517 -0.077) 29.016 10.633 ( -12.466 -12.466 4.301) 18.146 10.991 ( 13.980 13.980 -6.123) 20.698 11.867 ( 4.099 4.099 0.361) 5.807 ======================= Grid point 550 (104/140) ======================= q-point: ( 0.31 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.915 ( 11.022 9.975 -1.686) 14.960 2.370 ( 3.454 3.530 -2.740) 5.647 2.414 ( 9.060 5.711 0.729) 10.734 3.324 ( -5.767 13.398 0.685) 14.603 3.736 ( 12.726 -6.968 2.044) 14.652 4.063 ( 5.947 3.493 3.016) 7.528 4.598 ( -0.821 5.877 1.908) 6.233 4.692 ( -0.693 0.767 1.321) 1.677 4.815 ( 8.563 2.891 -3.301) 9.622 6.023 ( -11.626 5.659 1.381) 13.004 6.369 ( 5.735 -6.704 0.132) 8.823 6.669 ( -1.512 -1.381 -4.177) 4.652 7.993 ( 4.492 -11.608 0.226) 12.449 9.402 ( 2.833 -0.055 0.389) 2.860 9.588 ( -20.902 -23.158 -0.053) 31.196 10.332 ( -14.967 -10.945 1.550) 18.607 11.279 ( 12.728 16.895 -3.623) 21.461 11.918 ( 0.803 7.887 0.068) 7.929 ======================= Grid point 551 (105/140) ======================= q-point: ( 0.38 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.124 ( 9.076 7.451 -0.851) 11.773 2.404 ( 0.314 1.365 -2.026) 2.463 2.611 ( 9.359 6.034 0.988) 11.179 3.173 ( -8.421 9.258 1.278) 12.580 3.984 ( 10.809 -6.101 1.686) 12.526 4.177 ( 4.743 0.704 2.513) 5.414 4.583 ( -0.730 5.932 0.758) 6.025 4.653 ( -2.721 3.349 -0.543) 4.349 5.027 ( 11.362 3.964 -1.207) 12.094 5.778 ( -12.002 5.312 0.900) 13.156 6.473 ( 4.337 -4.055 0.090) 5.938 6.638 ( -1.502 -1.359 -2.747) 3.413 8.150 ( 10.462 -18.010 -0.011) 20.828 9.162 ( -20.220 -24.532 -0.049) 31.791 9.481 ( 4.891 -1.511 0.008) 5.119 10.039 ( -13.181 -7.540 0.227) 15.187 11.511 ( 9.896 16.657 -2.397) 19.523 11.901 ( -2.382 11.032 -0.339) 11.291 ======================= Grid point 552 (106/140) ======================= q-point: ( 0.46 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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 ( 6.247 4.747 -0.243) 7.850 2.379 ( -2.881 2.490 -0.586) 3.853 2.801 ( 9.107 5.727 0.645) 10.777 2.989 ( -9.136 6.714 0.963) 11.378 4.168 ( 6.626 -5.117 1.963) 8.599 4.236 ( 0.267 -2.756 2.405) 3.667 4.571 ( -0.101 6.071 -0.450) 6.089 4.594 ( -2.411 5.392 -1.173) 6.022 5.273 ( 12.286 4.897 -0.460) 13.234 5.528 ( -12.279 5.269 0.174) 13.363 6.549 ( 3.097 -2.464 -0.152) 3.961 6.602 ( -2.082 -1.674 -1.186) 2.924 8.416 ( 15.034 -22.219 -0.100) 26.827 8.762 ( -18.298 -24.315 -0.080) 30.431 9.608 ( 7.528 -3.043 -0.333) 8.127 9.794 ( -10.457 -4.943 -0.340) 11.571 11.691 ( 7.541 15.534 -1.550) 17.337 11.822 ( -5.157 13.615 -0.879) 14.585 ======================= Grid point 563 (107/140) ======================= q-point: ( 0.31 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.112 ( 8.854 8.854 -0.533) 12.533 2.412 ( 1.739 1.739 -2.775) 3.708 2.568 ( 7.752 7.752 1.526) 11.069 3.483 ( -4.390 -4.390 3.562) 7.158 3.676 ( 7.482 7.482 -1.046) 10.633 4.138 ( 3.465 3.465 2.207) 5.375 4.688 ( 1.923 1.923 5.065) 5.749 4.705 ( 0.765 0.765 2.488) 2.713 4.927 ( 8.231 8.231 -4.817) 12.598 6.036 ( -5.857 -5.857 4.834) 9.590 6.312 ( 2.670 2.670 -4.673) 6.007 6.641 ( -1.331 -1.331 -4.508) 4.885 7.842 ( -3.147 -3.147 0.239) 4.457 9.117 ( -22.291 -22.291 -0.033) 31.525 9.413 ( 1.241 1.241 0.480) 1.819 10.100 ( -11.205 -11.205 0.722) 15.863 11.584 ( 12.723 12.723 -2.766) 18.204 12.041 ( 4.009 4.009 -0.187) 5.673 ======================= Grid point 564 (108/140) ======================= q-point: ( 0.38 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.274 ( 6.760 6.877 0.282) 9.647 2.443 ( 1.018 2.377 -1.033) 2.784 2.726 ( 7.678 4.976 0.618) 9.171 3.300 ( -10.402 1.833 2.178) 10.784 3.891 ( 10.463 -1.560 0.107) 10.579 4.193 ( 1.544 0.599 1.902) 2.522 4.694 ( -0.318 4.249 3.874) 5.759 4.716 ( -0.234 2.775 2.763) 3.923 5.137 ( 11.538 6.918 -2.860) 13.754 5.854 ( -10.329 1.376 2.425) 10.699 6.407 ( 5.142 -1.689 -3.446) 6.417 6.611 ( -1.653 -1.332 -3.832) 4.380 7.857 ( 4.400 -10.309 0.073) 11.209 8.677 ( -20.024 -22.108 -0.034) 29.828 9.458 ( 3.218 -0.546 0.392) 3.288 9.879 ( -10.066 -7.772 0.272) 12.720 11.808 ( 9.130 12.170 -2.110) 15.360 12.085 ( 0.344 6.798 -0.554) 6.829 ======================= Grid point 565 (109/140) ======================= q-point: ( 0.46 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.387 ( 4.135 5.183 0.603) 6.657 2.443 ( -1.234 3.685 0.201) 3.891 2.892 ( 8.644 2.991 0.459) 9.158 3.086 ( -10.038 2.199 1.124) 10.337 4.078 ( 7.396 -3.080 0.825) 8.054 4.184 ( -2.722 -2.193 1.499) 3.804 4.690 ( 0.158 5.079 2.993) 5.898 4.702 ( -0.837 4.874 2.739) 5.653 5.384 ( 12.089 5.822 -1.181) 13.469 5.628 ( -11.444 4.216 0.387) 12.202 6.502 ( 3.924 -1.927 -2.733) 5.155 6.569 ( -2.555 -1.586 -2.990) 4.240 8.017 ( 10.959 -16.128 -0.050) 19.499 8.300 ( -16.251 -20.098 -0.061) 25.847 9.549 ( 5.619 -2.552 0.220) 6.175 9.690 ( -8.053 -4.909 0.133) 9.432 11.964 ( 6.017 10.977 -1.538) 12.612 12.057 ( -2.966 9.152 -1.015) 9.674 ======================= Grid point 577 (110/140) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.402 ( 5.432 5.432 0.939) 7.739 2.495 ( 2.419 2.419 0.240) 3.429 2.820 ( 4.463 4.463 -0.083) 6.311 3.239 ( -6.655 -6.655 1.808) 9.584 3.935 ( 4.915 4.915 -0.149) 6.953 4.191 ( -1.017 -1.017 1.426) 2.026 4.748 ( 1.635 1.635 3.564) 4.248 4.769 ( 1.846 1.846 6.401) 6.913 5.309 ( 9.392 9.392 -3.071) 13.633 5.821 ( -4.356 -4.356 2.048) 6.492 6.415 ( 2.181 2.181 -4.800) 5.706 6.580 ( -1.742 -1.742 -4.088) 4.773 7.726 ( -2.366 -2.366 0.044) 3.346 8.260 ( -18.048 -18.048 -0.034) 25.524 9.463 ( 1.146 1.146 0.620) 1.735 9.725 ( -6.950 -6.950 0.410) 9.838 12.017 ( 8.114 8.114 -1.814) 11.617 12.183 ( 2.783 2.783 -0.834) 4.023 ======================= Grid point 578 (111/140) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.493 ( 3.130 4.832 1.247) 5.891 2.525 ( 0.067 4.028 1.134) 4.185 2.926 ( 6.166 0.602 -0.194) 6.199 3.077 ( -8.125 -2.734 0.650) 8.597 4.050 ( 5.501 0.187 0.356) 5.515 4.145 ( -3.514 -1.716 0.914) 4.016 4.775 ( 0.995 3.165 4.907) 5.923 4.786 ( 0.008 3.107 5.962) 6.723 5.508 ( 9.557 6.011 -1.844) 11.440 5.691 ( -7.877 1.642 -0.002) 8.046 6.476 ( 3.215 -0.547 -4.294) 5.392 6.536 ( -2.545 -1.555 -4.020) 5.005 7.758 ( 5.385 -8.851 -0.027) 10.360 7.943 ( -12.402 -14.258 -0.047) 18.898 9.508 ( 3.245 -1.274 0.662) 3.548 9.597 ( -5.323 -3.992 0.566) 6.678 12.146 ( 4.463 6.717 -1.494) 8.202 12.202 ( -0.926 4.922 -1.158) 5.141 ======================= Grid point 591 (112/140) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.575 ( 2.786 2.786 1.850) 4.353 2.590 ( 1.586 1.586 1.987) 2.996 2.940 ( 1.401 1.401 -0.800) 2.136 2.999 ( -4.019 -4.019 -0.302) 5.692 4.073 ( 1.700 1.700 0.361) 2.432 4.110 ( -1.763 -1.763 0.569) 2.558 4.821 ( 1.297 1.297 6.362) 6.622 4.827 ( 0.805 0.805 6.862) 6.955 5.621 ( 4.652 4.652 -1.796) 6.820 5.690 ( -1.783 -1.783 -0.992) 2.710 6.480 ( 0.844 0.844 -4.606) 4.758 6.505 ( -1.455 -1.455 -4.423) 4.878 7.656 ( -0.905 -0.905 -0.038) 1.281 7.721 ( -7.094 -7.094 -0.047) 10.032 9.500 ( 0.513 0.513 0.882) 1.142 9.530 ( -2.408 -2.408 0.842) 3.508 12.244 ( 2.797 2.797 -1.412) 4.200 12.263 ( 0.995 0.995 -1.296) 1.913 ======================= Grid point 676 (113/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.372 ( -0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 2.504 ( -0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 4.491 ( -0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.369 ( -0.000 0.000 0.000) 0.000 6.825 ( -0.000 -0.000 0.000) 0.000 8.247 ( 0.000 0.000 0.000) 0.000 8.247 ( -0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 12.918 ( 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: 8.55e-05 8.55e-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| 1.441 ( 6.454 0.000 0.000) 6.454 1.500 ( 11.398 0.000 0.000) 11.398 1.516 ( -13.049 0.000 -0.000) 13.049 2.529 ( 2.372 0.000 0.000) 2.372 2.750 ( 19.765 0.000 0.000) 19.765 3.509 ( 3.135 0.000 0.000) 3.135 4.484 ( -0.706 0.000 0.000) 0.706 4.502 ( 1.157 0.000 0.000) 1.157 5.685 ( -26.648 0.000 0.000) 26.648 6.089 ( -2.565 0.000 0.000) 2.565 6.553 ( 6.789 0.000 0.000) 6.789 6.816 ( -0.860 0.000 0.000) 0.860 8.303 ( 5.377 0.000 0.000) 5.377 8.588 ( 28.100 0.000 0.000) 28.100 9.206 ( 1.913 0.000 0.000) 1.913 11.354 ( -3.617 0.000 0.000) 3.617 11.372 ( -2.000 0.000 0.000) 2.000 12.691 ( -20.643 0.000 0.000) 20.643 ======================= Grid point 680 (115/140) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.283 ( -7.727 0.000 0.000) 7.727 1.621 ( 10.505 0.000 0.000) 10.505 1.787 ( 15.118 0.000 0.000) 15.118 2.594 ( 3.634 0.000 0.000) 3.634 3.206 ( 22.988 0.000 -0.000) 22.988 3.609 ( 6.577 0.000 0.000) 6.577 4.457 ( -1.981 0.000 0.000) 1.981 4.541 ( 2.629 0.000 0.000) 2.629 5.186 ( -20.621 0.000 0.000) 20.621 6.011 ( -4.991 0.000 0.000) 4.991 6.633 ( 1.968 0.000 0.000) 1.968 6.791 ( -1.443 0.000 0.000) 1.443 8.465 ( 10.251 0.000 0.000) 10.251 9.181 ( 20.862 0.000 0.000) 20.862 9.285 ( 11.167 0.000 0.000) 11.167 11.243 ( -7.128 0.000 0.000) 7.128 11.301 ( -5.230 0.000 0.000) 5.230 12.153 ( -29.064 0.000 0.000) 29.064 ======================= Grid point 682 (116/140) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.246 ( 4.563 0.000 0.000) 4.563 1.856 ( 11.913 0.000 0.000) 11.913 2.082 ( 12.784 0.000 0.000) 12.784 2.667 ( 3.174 0.000 0.000) 3.174 3.664 ( 20.721 0.000 -0.000) 20.721 3.778 ( 9.598 0.000 0.000) 9.598 4.403 ( -3.161 0.000 0.000) 3.161 4.614 ( 4.582 0.000 0.000) 4.582 4.837 ( -13.600 0.000 -0.000) 13.600 5.885 ( -7.141 0.000 0.000) 7.141 6.658 ( 0.737 0.000 0.000) 0.737 6.760 ( -1.522 0.000 0.000) 1.522 8.719 ( 14.194 0.000 0.000) 14.194 9.321 ( 4.245 0.000 0.000) 4.245 9.736 ( 20.712 0.000 0.000) 20.712 11.062 ( -10.421 0.000 0.000) 10.421 11.121 ( -13.764 0.000 0.000) 13.764 11.594 ( -22.406 0.000 0.000) 22.406 ======================= Grid point 684 (117/140) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.449 ( 14.004 0.000 0.000) 14.004 2.100 ( 11.489 0.000 0.000) 11.489 2.292 ( 7.170 0.000 0.000) 7.170 2.714 ( 1.118 0.000 0.000) 1.118 3.992 ( 10.678 0.000 -0.000) 10.678 4.036 ( 14.575 0.000 0.000) 14.575 4.340 ( -2.233 0.000 0.000) 2.233 4.607 ( -8.984 0.000 -0.000) 8.984 4.732 ( 6.833 0.000 0.000) 6.833 5.719 ( -8.879 0.000 0.000) 8.879 6.671 ( 0.551 0.000 0.000) 0.551 6.732 ( -1.129 0.000 0.000) 1.129 9.043 ( 16.927 0.000 0.000) 16.927 9.415 ( 5.037 0.000 0.000) 5.037 10.095 ( 14.590 0.000 0.000) 14.590 10.727 ( -21.965 0.000 0.000) 21.965 10.815 ( -13.371 0.000 0.000) 13.371 11.263 ( -11.698 0.000 0.000) 11.698 ======================= Grid point 686 (118/140) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.773 ( 16.246 0.000 0.000) 16.246 2.323 ( 9.948 0.000 0.000) 9.948 2.369 ( 0.107 0.000 0.000) 0.107 2.707 ( -1.832 0.000 0.000) 1.832 4.191 ( 7.656 0.000 0.000) 7.656 4.204 ( 1.580 0.000 -0.000) 1.580 4.372 ( 5.554 0.000 0.000) 5.554 4.461 ( -4.847 0.000 0.000) 4.847 4.895 ( 8.861 0.000 0.000) 8.861 5.522 ( -10.062 0.000 0.000) 10.062 6.682 ( 0.596 0.000 0.000) 0.596 6.714 ( -0.629 0.000 0.000) 0.629 9.409 ( 18.349 0.000 0.000) 18.349 9.535 ( 6.766 0.000 0.000) 6.766 10.295 ( -19.103 0.000 0.000) 19.103 10.362 ( 11.705 0.000 -0.000) 11.705 10.513 ( -15.827 0.000 0.000) 15.827 11.040 ( -10.546 0.000 0.000) 10.546 ======================= Grid point 688 (119/140) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.084 ( 13.149 0.000 0.000) 13.149 2.296 ( -7.087 0.000 0.000) 7.087 2.506 ( 7.691 0.000 0.000) 7.691 2.637 ( -4.917 0.000 0.000) 4.917 4.218 ( 1.120 0.000 0.000) 1.120 4.253 ( -1.293 0.000 -0.000) 1.293 4.441 ( 2.110 0.000 0.000) 2.110 4.458 ( 1.571 0.000 0.000) 1.571 5.093 ( 10.161 0.000 0.000) 10.161 5.308 ( -10.540 0.000 0.000) 10.540 6.694 ( 0.518 0.000 -0.000) 0.518 6.704 ( -0.419 0.000 0.000) 0.419 9.704 ( 9.840 0.000 0.000) 9.840 9.792 ( 18.522 0.000 0.000) 18.522 9.950 ( -14.213 0.000 0.000) 14.213 10.166 ( -17.612 0.000 0.000) 17.612 10.594 ( 10.992 0.000 0.000) 10.992 10.819 ( -10.860 0.000 0.000) 10.860 ======================= Grid point 704 (120/140) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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 ( -8.233 -8.233 0.000) 11.644 1.503 ( 6.047 6.047 0.000) 8.551 1.609 ( 9.557 9.557 0.000) 13.516 2.626 ( 5.657 5.657 0.000) 8.000 2.864 ( 12.558 12.558 0.000) 17.760 3.542 ( 3.222 3.222 0.000) 4.556 4.483 ( -0.221 -0.221 0.000) 0.313 4.511 ( 0.965 0.965 0.000) 1.364 5.458 ( -17.367 -17.367 0.000) 24.561 6.112 ( -0.079 -0.079 0.000) 0.111 6.570 ( 1.363 1.363 0.000) 1.928 6.805 ( -1.032 -1.032 0.000) 1.460 8.210 ( -1.723 -1.723 0.000) 2.436 8.971 ( 27.248 27.248 0.000) 38.534 9.222 ( 1.591 1.591 0.000) 2.249 11.231 ( -7.755 -7.755 0.000) 10.967 11.434 ( 1.722 1.722 0.000) 2.436 12.492 ( -18.060 -18.060 0.000) 25.540 ======================= Grid point 706 (121/140) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.268 ( -3.660 -0.564 0.000) 3.703 1.677 ( 10.312 5.333 0.000) 11.610 1.850 ( 12.841 5.727 0.000) 14.060 2.714 ( 3.455 10.313 0.000) 10.876 3.227 ( 20.348 2.430 -0.000) 20.493 3.642 ( 6.489 3.223 0.000) 7.245 4.467 ( -1.447 0.994 0.000) 1.755 4.547 ( 2.638 0.582 0.000) 2.701 5.097 ( -16.157 -7.610 0.000) 17.859 6.061 ( -4.558 3.908 0.000) 6.004 6.598 ( 1.196 -3.212 0.000) 3.427 6.776 ( -1.637 -1.396 0.000) 2.152 8.270 ( 6.914 -11.795 0.000) 13.672 9.266 ( 2.793 1.478 0.000) 3.160 9.546 ( 26.369 24.369 0.000) 35.906 11.042 ( -10.523 -12.424 0.000) 16.281 11.420 ( -3.982 3.912 0.000) 5.582 12.028 ( -24.252 -10.875 0.000) 26.579 ======================= Grid point 708 (122/140) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.296 ( 6.469 4.852 0.000) 8.086 1.908 ( 11.657 4.834 0.000) 12.620 2.106 ( 11.356 2.252 0.000) 11.577 2.776 ( 2.436 9.944 0.000) 10.238 3.646 ( 19.409 -1.567 -0.000) 19.472 3.805 ( 9.038 2.567 0.000) 9.395 4.424 ( -2.671 2.067 0.000) 3.378 4.623 ( 4.783 0.738 0.000) 4.840 4.813 ( -11.322 -2.008 -0.000) 11.499 5.936 ( -7.376 4.636 0.000) 8.712 6.620 ( 0.938 -3.788 0.000) 3.903 6.742 ( -1.592 -1.651 0.000) 2.293 8.471 ( 12.139 -17.776 0.000) 21.526 9.333 ( 3.679 0.575 0.000) 3.723 10.025 ( 19.838 22.353 0.000) 29.887 10.797 ( -13.247 -16.406 0.000) 21.087 11.191 ( -19.335 -3.031 0.000) 19.571 11.632 ( -11.888 4.611 0.000) 12.751 ======================= Grid point 710 (123/140) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.514 ( 13.759 6.044 0.000) 15.028 2.145 ( 11.083 4.145 0.000) 11.833 2.298 ( 6.837 0.616 0.000) 6.865 2.806 ( 0.253 8.520 0.000) 8.524 4.002 ( 14.445 -3.252 -0.000) 14.807 4.003 ( 9.838 1.130 0.000) 9.903 4.368 ( -2.230 2.812 0.000) 3.589 4.620 ( -7.718 1.202 -0.000) 7.811 4.746 ( 7.095 1.212 0.000) 7.198 5.763 ( -9.229 4.160 0.000) 10.124 6.639 ( 0.924 -3.148 0.000) 3.281 6.714 ( -1.071 -1.650 0.000) 1.967 8.757 ( 15.268 -21.432 0.000) 26.315 9.419 ( 4.749 -0.122 0.000) 4.751 10.376 ( 14.575 21.547 0.000) 26.014 10.497 ( -15.720 -18.757 0.000) 24.473 10.733 ( -22.369 -5.979 0.000) 23.154 11.455 ( -7.451 13.346 0.000) 15.285 ======================= Grid point 712 (124/140) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.822 ( 15.193 4.606 0.000) 15.876 2.343 ( 5.170 1.062 0.000) 5.278 2.393 ( 4.999 3.083 0.000) 5.873 2.781 ( -2.710 6.834 0.000) 7.352 4.192 ( 7.792 0.038 -0.000) 7.792 4.211 ( 5.045 -0.393 0.000) 5.060 4.363 ( 2.517 0.256 0.000) 2.530 4.487 ( -5.121 2.456 0.000) 5.680 4.914 ( 9.092 1.735 0.000) 9.256 5.559 ( -10.403 3.503 0.000) 10.977 6.658 ( 0.930 -2.378 0.000) 2.554 6.697 ( -0.563 -1.522 0.000) 1.623 9.092 ( 17.006 -23.675 0.000) 29.149 9.534 ( 6.643 -0.734 0.000) 6.683 10.157 ( -16.850 -18.841 0.000) 25.276 10.307 ( -18.860 -7.132 0.000) 20.163 10.646 ( 11.955 21.319 0.000) 24.442 11.291 ( -8.685 17.060 0.000) 19.143 ======================= Grid point 714 (125/140) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.110 ( 12.080 2.502 0.000) 12.336 2.303 ( -6.257 0.709 0.000) 6.297 2.555 ( 7.837 4.469 0.000) 9.022 2.695 ( -5.577 5.312 0.000) 7.702 4.262 ( 1.709 4.036 0.000) 4.383 4.287 ( 0.638 2.899 -0.000) 2.969 4.423 ( 1.583 -3.156 -0.000) 3.531 4.427 ( -0.256 -1.002 0.000) 1.034 5.117 ( 10.432 2.271 0.000) 10.677 5.338 ( -10.860 2.868 0.000) 11.232 6.675 ( 0.726 -1.800 -0.000) 1.941 6.687 ( -0.470 -1.519 0.000) 1.590 9.451 ( 17.575 -24.276 0.000) 29.971 9.703 ( 9.965 -1.700 0.000) 10.109 9.809 ( -16.982 -21.689 0.000) 27.546 9.957 ( -14.781 -4.713 0.000) 15.514 10.880 ( 10.898 20.784 0.000) 23.468 11.097 ( -10.030 19.421 0.000) 21.858 ======================= Grid point 732 (126/140) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.298 ( 4.071 4.071 0.000) 5.758 1.832 ( 9.379 9.379 0.000) 13.263 1.999 ( 8.169 8.169 0.000) 11.553 2.934 ( 8.750 8.750 0.000) 12.374 3.338 ( 9.362 9.362 0.000) 13.240 3.738 ( 5.918 5.918 0.000) 8.369 4.493 ( 1.027 1.027 0.000) 1.453 4.567 ( 1.669 1.669 0.000) 2.360 4.922 ( -8.427 -8.427 0.000) 11.918 6.121 ( 0.641 0.641 0.000) 0.907 6.523 ( -3.100 -3.100 0.000) 4.384 6.739 ( -2.044 -2.044 0.000) 2.891 8.112 ( -2.877 -2.877 0.000) 4.069 9.298 ( 1.853 1.853 0.000) 2.621 10.064 ( 23.915 23.915 0.000) 33.821 10.758 ( -14.987 -14.987 0.000) 21.195 11.367 ( -11.351 -11.351 0.000) 16.053 11.816 ( -6.293 -6.293 0.000) 8.900 ======================= Grid point 734 (127/140) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.443 ( 9.772 9.199 0.000) 13.421 2.045 ( 10.765 8.177 0.000) 13.518 2.170 ( 8.026 3.715 0.000) 8.844 3.039 ( 2.037 14.463 0.000) 14.606 3.605 ( 14.968 -2.217 0.000) 15.131 3.878 ( 7.449 4.403 0.000) 8.653 4.491 ( -1.157 4.467 0.000) 4.614 4.637 ( 5.164 0.401 0.000) 5.179 4.768 ( -6.331 -2.052 0.000) 6.656 6.057 ( -6.553 6.604 0.000) 9.304 6.501 ( 0.906 -7.556 0.000) 7.610 6.698 ( -1.732 -2.318 0.000) 2.893 8.144 ( 5.446 -12.405 0.000) 13.548 9.344 ( 2.695 0.697 0.000) 2.784 10.427 ( -16.978 -19.108 0.000) 25.561 10.504 ( 18.558 22.378 0.000) 29.072 11.002 ( -20.968 -13.481 0.000) 24.928 11.760 ( -1.289 6.467 0.000) 6.595 ======================= Grid point 736 (128/140) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.683 ( 12.869 9.788 0.000) 16.168 2.255 ( 8.721 5.711 0.000) 10.424 2.324 ( 7.146 2.365 0.000) 7.527 3.039 ( -1.836 13.377 0.000) 13.502 3.905 ( 13.403 -5.995 -0.000) 14.683 4.038 ( 7.824 2.188 0.000) 8.124 4.459 ( -1.616 5.945 0.000) 6.160 4.656 ( -4.853 2.163 -0.000) 5.313 4.773 ( 7.941 1.260 0.000) 8.040 5.880 ( -10.011 6.845 0.000) 12.128 6.539 ( 2.277 -6.529 0.000) 6.915 6.671 ( -0.964 -2.321 0.000) 2.513 8.318 ( 11.018 -19.353 0.000) 22.270 9.412 ( 3.895 -0.432 0.000) 3.919 10.062 ( -18.318 -22.493 0.000) 29.008 10.570 ( -20.199 -9.667 0.000) 22.393 10.837 ( 14.036 21.646 -0.000) 25.798 11.718 ( -3.056 11.492 0.000) 11.892 ======================= Grid point 738 (129/140) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.951 ( 12.563 7.459 0.000) 14.610 2.359 ( 1.421 0.791 0.000) 1.626 2.494 ( 8.942 6.032 0.000) 10.787 2.967 ( -5.033 10.546 0.000) 11.685 4.144 ( 9.643 -5.804 -0.000) 11.255 4.194 ( 7.038 0.194 0.000) 7.041 4.431 ( -1.136 6.093 0.000) 6.198 4.557 ( -4.872 4.135 0.000) 6.390 4.960 ( 10.012 2.577 0.000) 10.338 5.658 ( -11.264 5.826 0.000) 12.682 6.585 ( 2.107 -4.597 0.000) 5.057 6.656 ( -0.505 -2.268 0.000) 2.324 8.586 ( 14.710 -23.752 0.000) 27.938 9.511 ( 5.850 -1.423 0.000) 6.020 9.676 ( -18.894 -24.973 0.000) 31.315 10.185 ( -16.789 -6.297 0.000) 17.931 11.096 ( 11.284 20.966 0.000) 23.810 11.629 ( -5.611 14.994 0.000) 16.010 ======================= Grid point 740 (130/140) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.182 ( 9.406 4.285 0.000) 10.336 2.327 ( -4.428 1.657 0.000) 4.727 2.674 ( 8.453 6.635 0.000) 10.746 2.838 ( -7.266 8.024 0.000) 10.825 4.307 ( 6.144 -4.293 -0.000) 7.496 4.316 ( 4.464 -1.460 0.000) 4.697 4.404 ( -1.444 5.964 -0.000) 6.136 4.451 ( -5.255 4.675 0.000) 7.034 5.181 ( 11.308 3.835 0.000) 11.940 5.420 ( -11.684 4.867 0.000) 12.658 6.622 ( 1.452 -3.228 0.000) 3.540 6.645 ( -0.742 -2.494 0.000) 2.603 8.917 ( 17.181 -25.954 0.000) 31.126 9.288 ( -18.571 -26.260 0.000) 32.163 9.660 ( 8.827 -2.460 0.000) 9.163 9.881 ( -12.678 -3.946 0.000) 13.278 11.310 ( 9.534 19.737 0.000) 21.919 11.489 ( -7.812 17.738 0.000) 19.382 ======================= Grid point 760 (131/140) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.660 ( 11.380 11.380 0.000) 16.093 2.232 ( 9.476 9.476 0.000) 13.402 2.253 ( 4.283 4.283 0.000) 6.058 3.312 ( 9.169 9.169 0.000) 12.967 3.583 ( 2.126 2.126 0.000) 3.007 3.980 ( 5.286 5.286 0.000) 7.475 4.601 ( 4.553 4.553 0.000) 6.439 4.646 ( 2.132 2.132 0.000) 3.015 4.733 ( -1.420 -1.420 0.000) 2.008 6.171 ( 1.807 1.807 0.000) 2.556 6.337 ( -5.654 -5.654 0.000) 7.997 6.654 ( -1.822 -1.822 0.000) 2.577 7.982 ( -3.350 -3.350 0.000) 4.738 9.365 ( 1.395 1.395 0.000) 1.973 10.017 ( -20.506 -20.506 0.000) 29.000 10.685 ( -16.428 -16.428 0.000) 23.233 10.920 ( 17.836 17.836 -0.000) 25.224 11.870 ( 3.978 3.978 0.000) 5.626 ======================= Grid point 762 (132/140) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 1.897 ( 11.305 10.571 0.000) 15.477 2.333 ( 3.453 2.478 0.000) 4.250 2.432 ( 9.472 7.168 0.000) 11.878 3.330 ( -4.922 14.102 0.000) 14.937 3.759 ( 12.148 -7.961 0.000) 14.525 4.093 ( 5.548 3.066 0.000) 6.339 4.609 ( -0.937 8.227 0.000) 8.280 4.701 ( -1.940 2.016 -0.000) 2.797 4.797 ( 9.722 1.269 0.000) 9.805 6.030 ( -11.212 7.097 0.000) 13.269 6.375 ( 5.124 -8.862 0.000) 10.236 6.626 ( -0.963 -1.884 0.000) 2.115 7.995 ( 4.361 -11.537 0.000) 12.334 9.406 ( 2.684 0.030 0.000) 2.684 9.588 ( -20.893 -23.150 0.000) 31.184 10.348 ( -15.890 -11.502 0.000) 19.616 11.242 ( 13.540 17.439 0.000) 22.078 11.919 ( 0.642 7.794 0.000) 7.820 ======================= Grid point 764 (133/140) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.115 ( 9.515 8.114 0.000) 12.505 2.384 ( 1.214 1.752 0.000) 2.132 2.621 ( 8.978 5.994 0.000) 10.795 3.185 ( -8.399 9.737 0.000) 12.859 4.002 ( 10.781 -7.149 0.000) 12.936 4.201 ( 4.640 0.538 0.000) 4.671 4.587 ( -1.151 8.382 0.000) 8.461 4.647 ( -3.269 4.305 -0.000) 5.406 5.020 ( 11.650 3.340 0.000) 12.119 5.785 ( -12.206 5.958 0.000) 13.582 6.475 ( 4.280 -5.744 0.000) 7.164 6.610 ( -0.704 -2.102 0.000) 2.217 8.150 ( 10.380 -17.948 0.000) 20.733 9.161 ( -20.228 -24.526 0.000) 31.791 9.481 ( 4.694 -1.306 0.000) 4.872 10.041 ( -13.626 -7.553 0.000) 15.579 11.487 ( 10.373 16.800 0.000) 19.745 11.898 ( -2.609 10.947 0.000) 11.254 ======================= Grid point 766 (134/140) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.281 ( 6.383 5.213 0.000) 8.242 2.373 ( -2.450 2.852 0.000) 3.760 2.807 ( 9.136 5.747 0.000) 10.793 2.999 ( -9.357 6.899 0.000) 11.626 4.189 ( 6.827 -5.966 0.000) 9.067 4.260 ( 0.216 -3.188 0.000) 3.195 4.565 ( -0.629 8.435 0.000) 8.459 4.581 ( -2.434 6.944 -0.000) 7.358 5.270 ( 12.485 4.705 0.000) 13.342 5.529 ( -12.515 5.432 0.000) 13.642 6.548 ( 2.757 -3.813 0.000) 4.706 6.590 ( -1.395 -2.684 0.000) 3.025 8.415 ( 15.025 -22.194 0.000) 26.802 8.761 ( -18.317 -24.307 0.000) 30.436 9.605 ( 7.420 -2.773 0.000) 7.921 9.790 ( -10.577 -4.725 0.000) 11.584 11.676 ( 7.899 15.534 0.000) 17.427 11.814 ( -5.447 13.554 0.000) 14.608 ======================= Grid point 788 (135/140) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.105 ( 9.325 9.325 0.000) 13.188 2.385 ( 2.600 2.600 0.000) 3.677 2.583 ( 7.251 7.251 0.000) 10.254 3.519 ( -4.693 -4.693 0.000) 6.636 3.666 ( 7.737 7.737 0.000) 10.942 4.160 ( 3.219 3.219 0.000) 4.552 4.730 ( 0.581 0.581 0.000) 0.821 4.740 ( 2.372 2.372 0.000) 3.355 4.880 ( 8.782 8.782 0.000) 12.420 6.083 ( -6.294 -6.294 0.000) 8.901 6.264 ( 2.532 2.532 0.000) 3.581 6.595 ( -1.192 -1.192 0.000) 1.685 7.844 ( -3.201 -3.201 0.000) 4.527 9.116 ( -22.285 -22.285 0.000) 31.516 9.418 ( 1.239 1.239 0.000) 1.752 10.107 ( -11.512 -11.512 0.000) 16.281 11.556 ( 13.079 13.079 0.000) 18.496 12.039 ( 3.861 3.861 0.000) 5.460 ======================= Grid point 790 (136/140) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.276 ( 7.069 7.287 0.000) 10.152 2.433 ( 1.765 2.966 0.000) 3.451 2.732 ( 7.383 4.651 0.000) 8.726 3.322 ( -10.960 2.120 0.000) 11.163 3.892 ( 10.839 -2.127 0.000) 11.046 4.212 ( 1.429 0.339 0.000) 1.468 4.727 ( -0.613 3.311 0.000) 3.367 4.748 ( -0.584 6.427 0.000) 6.454 5.112 ( 12.452 6.107 0.000) 13.869 5.877 ( -11.421 2.028 0.000) 11.599 6.373 ( 5.706 -3.241 0.000) 6.562 6.572 ( -1.201 -1.663 0.000) 2.051 7.857 ( 4.317 -10.296 0.000) 11.164 8.677 ( -20.032 -22.103 0.000) 29.830 9.462 ( 3.144 -0.393 0.000) 3.168 9.881 ( -10.204 -7.722 0.000) 12.797 11.787 ( 9.422 12.309 0.000) 15.501 12.079 ( 0.143 6.678 0.000) 6.680 ======================= Grid point 792 (137/140) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.393 ( 4.169 5.516 0.000) 6.914 2.445 ( -0.870 4.091 0.000) 4.182 2.897 ( 8.810 2.780 0.000) 9.239 3.097 ( -10.497 2.153 0.000) 10.716 4.087 ( 7.704 -3.468 0.000) 8.449 4.199 ( -3.006 -2.563 0.000) 3.950 4.718 ( 0.051 6.053 0.000) 6.053 4.730 ( -0.925 7.115 0.000) 7.175 5.374 ( 12.743 5.378 0.000) 13.832 5.632 ( -12.187 4.239 0.000) 12.903 6.474 ( 3.989 -3.042 0.000) 5.016 6.538 ( -2.226 -2.317 0.000) 3.213 8.016 ( 10.930 -16.108 0.000) 19.466 8.300 ( -16.263 -20.089 0.000) 25.846 9.551 ( 5.543 -2.301 0.000) 6.002 9.692 ( -8.057 -4.679 0.000) 9.317 11.949 ( 6.281 10.989 0.000) 12.657 12.047 ( -3.205 9.083 0.000) 9.632 ======================= Grid point 816 (138/140) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.411 ( 5.665 5.665 0.000) 8.011 2.499 ( 3.001 3.001 0.000) 4.244 2.819 ( 4.190 4.190 0.000) 5.926 3.258 ( -7.161 -7.161 0.000) 10.127 3.934 ( 5.087 5.087 0.000) 7.195 4.205 ( -1.243 -1.243 0.000) 1.758 4.784 ( 2.291 2.291 0.000) 3.240 4.834 ( 2.054 2.054 0.000) 2.905 5.279 ( 9.717 9.717 0.000) 13.743 5.842 ( -5.144 -5.144 0.000) 7.274 6.366 ( 2.214 2.214 0.000) 3.131 6.538 ( -1.731 -1.731 0.000) 2.449 7.726 ( -2.400 -2.400 0.000) 3.393 8.260 ( -18.054 -18.054 0.000) 25.532 9.470 ( 1.210 1.210 0.000) 1.711 9.729 ( -6.873 -6.873 0.000) 9.720 11.999 ( 8.262 8.262 0.000) 11.684 12.175 ( 2.635 2.635 0.000) 3.726 ======================= Grid point 818 (139/140) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.504 ( 3.241 5.126 0.000) 6.064 2.537 ( 0.249 4.515 0.000) 4.522 2.925 ( 6.396 0.219 0.000) 6.400 3.084 ( -8.685 -3.118 0.000) 9.228 4.053 ( 5.757 0.104 0.000) 5.758 4.154 ( -3.771 -1.919 0.000) 4.231 4.824 ( 1.604 4.113 0.000) 4.415 4.847 ( -0.466 4.053 0.000) 4.080 5.491 ( 10.333 5.767 0.000) 11.833 5.692 ( -8.875 1.266 0.000) 8.965 6.431 ( 3.481 -0.991 0.000) 3.619 6.495 ( -2.547 -1.879 0.000) 3.165 7.757 ( 5.360 -8.850 0.000) 10.346 7.943 ( -12.406 -14.256 0.000) 18.898 9.515 ( 3.226 -1.109 0.000) 3.411 9.603 ( -5.256 -3.813 0.000) 6.494 12.131 ( 4.623 6.747 0.000) 8.179 12.190 ( -1.088 4.853 0.000) 4.974 ======================= Grid point 844 (140/140) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-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| 2.593 ( 3.084 3.084 0.000) 4.362 2.610 ( 1.800 1.800 0.000) 2.546 2.932 ( 1.322 1.322 0.000) 1.870 2.996 ( -4.505 -4.505 0.000) 6.372 4.077 ( 1.763 1.763 0.000) 2.493 4.116 ( -1.889 -1.889 0.000) 2.671 4.886 ( 1.823 1.823 0.000) 2.577 4.897 ( 0.845 0.845 0.000) 1.195 5.603 ( 4.872 4.872 0.000) 6.890 5.680 ( -2.318 -2.318 0.000) 3.278 6.432 ( 0.878 0.878 0.000) 1.241 6.459 ( -1.578 -1.578 0.000) 2.232 7.656 ( -0.913 -0.913 0.000) 1.291 7.720 ( -7.094 -7.094 0.000) 10.032 9.509 ( 0.556 0.556 0.000) 0.787 9.539 ( -2.328 -2.328 0.000) 3.293 12.230 ( 2.845 2.845 0.000) 4.023 12.250 ( 0.933 0.933 0.000) 1.319 =================== 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 10.0 882.231 882.231 656.444 -0.000 -0.000 0.000 3/24336 20.0 404.157 404.157 159.056 -0.000 -0.000 0.000 3/24336 30.0 170.245 170.245 62.113 -0.000 -0.000 0.000 3/24336 40.0 86.481 86.481 29.993 -0.000 -0.000 0.000 3/24336 50.0 53.293 53.293 17.796 0.000 0.000 0.000 3/24336 60.0 37.381 37.381 12.202 0.000 0.000 0.000 3/24336 70.0 28.484 28.484 9.188 0.000 0.000 0.000 3/24336 80.0 22.937 22.937 7.355 0.000 0.000 0.000 3/24336 90.0 19.203 19.203 6.140 0.000 0.000 0.000 3/24336 100.0 16.542 16.542 5.279 0.000 0.000 0.000 3/24336 110.0 14.561 14.561 4.638 0.000 0.000 0.000 3/24336 120.0 13.032 13.032 4.144 0.000 0.000 0.000 3/24336 130.0 11.817 11.817 3.750 0.000 0.000 0.000 3/24336 140.0 10.828 10.828 3.429 0.000 0.000 0.000 3/24336 150.0 10.005 10.005 3.161 0.000 0.000 0.000 3/24336 160.0 9.309 9.309 2.935 0.000 0.000 0.000 3/24336 170.0 8.712 8.712 2.741 0.000 0.000 0.000 3/24336 180.0 8.192 8.192 2.572 0.000 0.000 0.000 3/24336 190.0 7.735 7.735 2.423 0.000 0.000 0.000 3/24336 200.0 7.330 7.330 2.292 0.000 0.000 0.000 3/24336 210.0 6.968 6.968 2.175 0.000 0.000 0.000 3/24336 220.0 6.641 6.641 2.070 0.000 0.000 0.000 3/24336 230.0 6.346 6.346 1.974 0.000 0.000 0.000 3/24336 240.0 6.076 6.076 1.888 0.000 0.000 0.000 3/24336 250.0 5.830 5.830 1.809 0.000 0.000 0.000 3/24336 260.0 5.603 5.603 1.736 0.000 0.000 0.000 3/24336 270.0 5.394 5.394 1.670 0.000 0.000 0.000 3/24336 280.0 5.200 5.200 1.608 0.000 0.000 0.000 3/24336 290.0 5.020 5.020 1.551 0.000 0.000 0.000 3/24336 300.0 4.852 4.852 1.498 0.000 0.000 0.000 3/24336 310.0 4.696 4.696 1.448 0.000 0.000 0.000 3/24336 320.0 4.549 4.549 1.402 0.000 0.000 0.000 3/24336 330.0 4.412 4.412 1.359 0.000 0.000 0.000 3/24336 340.0 4.282 4.282 1.318 0.000 0.000 0.000 3/24336 350.0 4.160 4.160 1.280 0.000 0.000 0.000 3/24336 360.0 4.045 4.045 1.243 0.000 0.000 0.000 3/24336 370.0 3.936 3.936 1.209 0.000 0.000 0.000 3/24336 380.0 3.833 3.833 1.177 0.000 0.000 0.000 3/24336 390.0 3.735 3.735 1.147 0.000 0.000 0.000 3/24336 400.0 3.642 3.642 1.118 0.000 0.000 0.000 3/24336 410.0 3.554 3.554 1.090 0.000 0.000 0.000 3/24336 420.0 3.470 3.470 1.064 0.000 0.000 0.000 3/24336 430.0 3.389 3.389 1.039 0.000 0.000 0.000 3/24336 440.0 3.313 3.313 1.015 0.000 0.000 0.000 3/24336 450.0 3.240 3.240 0.992 0.000 0.000 0.000 3/24336 460.0 3.170 3.170 0.971 0.000 0.000 0.000 3/24336 470.0 3.102 3.102 0.950 0.000 0.000 0.000 3/24336 480.0 3.038 3.038 0.930 0.000 0.000 0.000 3/24336 490.0 2.977 2.977 0.911 0.000 0.000 0.000 3/24336 500.0 2.917 2.917 0.893 0.000 0.000 0.000 3/24336 510.0 2.860 2.860 0.875 0.000 0.000 0.000 3/24336 520.0 2.806 2.806 0.858 0.000 0.000 0.000 3/24336 530.0 2.753 2.753 0.842 0.000 0.000 0.000 3/24336 540.0 2.702 2.702 0.826 0.000 0.000 0.000 3/24336 550.0 2.654 2.654 0.811 0.000 0.000 0.000 3/24336 560.0 2.606 2.606 0.797 0.000 0.000 0.000 3/24336 570.0 2.561 2.561 0.783 0.000 0.000 0.000 3/24336 580.0 2.517 2.517 0.769 0.000 0.000 0.000 3/24336 590.0 2.475 2.475 0.756 0.000 0.000 0.000 3/24336 600.0 2.434 2.434 0.743 0.000 0.000 0.000 3/24336 610.0 2.394 2.394 0.731 0.000 0.000 0.000 3/24336 620.0 2.355 2.355 0.719 0.000 0.000 0.000 3/24336 630.0 2.318 2.318 0.708 0.000 0.000 0.000 3/24336 640.0 2.282 2.282 0.697 0.000 0.000 0.000 3/24336 650.0 2.247 2.247 0.686 0.000 0.000 0.000 3/24336 660.0 2.213 2.213 0.676 0.000 0.000 0.000 3/24336 670.0 2.181 2.181 0.666 0.000 0.000 0.000 3/24336 680.0 2.149 2.149 0.656 0.000 0.000 0.000 3/24336 690.0 2.118 2.118 0.646 0.000 0.000 0.000 3/24336 700.0 2.088 2.088 0.637 0.000 0.000 0.000 3/24336 710.0 2.058 2.058 0.628 0.000 0.000 0.000 3/24336 720.0 2.030 2.030 0.619 0.000 0.000 0.000 3/24336 730.0 2.002 2.002 0.611 0.000 0.000 0.000 3/24336 740.0 1.975 1.975 0.603 0.000 0.000 0.000 3/24336 750.0 1.949 1.949 0.595 0.000 0.000 0.000 3/24336 760.0 1.923 1.923 0.587 0.000 0.000 0.000 3/24336 770.0 1.899 1.899 0.579 0.000 0.000 0.000 3/24336 780.0 1.874 1.874 0.572 0.000 0.000 0.000 3/24336 790.0 1.851 1.851 0.564 0.000 0.000 0.000 3/24336 800.0 1.828 1.828 0.557 0.000 0.000 0.000 3/24336 810.0 1.805 1.805 0.551 0.000 0.000 0.000 3/24336 820.0 1.783 1.783 0.544 0.000 0.000 0.000 3/24336 830.0 1.762 1.762 0.537 0.000 0.000 0.000 3/24336 840.0 1.741 1.741 0.531 0.000 0.000 0.000 3/24336 850.0 1.721 1.721 0.525 0.000 0.000 0.000 3/24336 860.0 1.701 1.701 0.519 0.000 0.000 0.000 3/24336 870.0 1.681 1.681 0.513 0.000 0.000 0.000 3/24336 880.0 1.662 1.662 0.507 0.000 0.000 0.000 3/24336 890.0 1.643 1.643 0.501 0.000 0.000 0.000 3/24336 900.0 1.625 1.625 0.495 0.000 0.000 0.000 3/24336 910.0 1.608 1.608 0.490 0.000 0.000 0.000 3/24336 920.0 1.590 1.590 0.485 0.000 0.000 0.000 3/24336 930.0 1.573 1.573 0.480 0.000 0.000 0.000 3/24336 940.0 1.556 1.556 0.474 0.000 0.000 0.000 3/24336 950.0 1.540 1.540 0.469 0.000 0.000 0.000 3/24336 960.0 1.524 1.524 0.465 0.000 0.000 0.000 3/24336 970.0 1.508 1.508 0.460 0.000 0.000 0.000 3/24336 980.0 1.493 1.493 0.455 0.000 0.000 0.000 3/24336 990.0 1.478 1.478 0.450 0.000 0.000 0.000 3/24336 1000.0 1.463 1.463 0.446 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 13:35:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|